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Started by timer Running as SYSTEM Building in workspace /var/lib/jenkins/jobs/NWCHEM/workspace Updating https://github.com/reubendb/SWTools-BWCI/trunk/nwchem@HEAD at revision HEAD At revision 22 No changes for https://github.com/reubendb/SWTools-BWCI/trunk/nwchem since the previous build [workspace] $ /bin/sh -xe /tmp/jenkins5497187267373482107.sh + /usr/local/bin/jenkins_sync /var/lib/jenkins/jobs/NWCHEM/workspace/nwchem [SSH] script: PATH="/sw/tools/bin:/sw/tools/bin:$PATH" SW_CONFIG="/scratch/system/bwjenkins/sw_config" PYTHONPATH="/sw/tools/bin:/sw/tools/bin:$PYTHONPATH" SW_ROOT="/scratch/system/bwjenkins/tests" echo $PATH $SW_CONFIG $PYTHONPATH > /dev/null export SW_CONFIG=$SW_CONFIG cd $SW_ROOT cd nwchem/6.6/cle5.2_gnu5.1.0 swbuildwait [SSH] executing... swbuild -s -a nwchem -v 6.6 -b cle5.2_gnu5.1.0 # clear out old installation to prevent potential libtool chmod # commands from failing when reinstalled by another person rm -rf bin lib include doc share man etc libexec info data #clear out status and old SRCDIR file since re-making rm -f status rm -rf $SRCDIR $DISTNAME #-- NWCHEM tarball use uppercase on first letter, but all lower in the source DISTNAME_TARBALL="$(tr '[:lower:]' '[:upper:]' <<< ${DISTNAME:0:1})${DISTNAME:1}" tar xf /sw/sources/${PACKAGE}/${VERSION}/${DISTNAME_TARBALL}.tar.bz2 \ --transform "s/${DISTNAME}/$SRCDIR/" cd $SRCDIR/src make nwchem_config config/makefile.h:140: /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/nwchem_config.h: No such file or directory make -C config -f make_nwchem_config NWCHEM_MODULES="all" make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad python argos diana uccsdt rism geninterface smd nbo leps lucia" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lpfft -lgradients -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad python argos diana uccsdt rism geninterface smd nbo leps lucia >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c python_input raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_python task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c python_input raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_python task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config' make -C config -f make_nwchem_config NWCHEM_MODULES="all" make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad python argos diana uccsdt rism geninterface smd nbo leps lucia" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lpfft -lgradients -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad python argos diana uccsdt rism geninterface smd nbo leps lucia >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c python_input raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_python task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c python_input raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_python task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config' if [ $? -ne 0 ] ; then echo "$PACKAGE configure failed" exit 1 fi make 64_to_32 make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src' test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64 || mkdir -p /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64 test -d /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64 || mkdir -p /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64 ./util/util_nwchem_version.bash make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src' rm -f 32_to_64 make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src' for dir in tools include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca 64to32blas; do \ make -C $dir 64_to_32 || exit 1 ; \ done make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools' No blas conversion done here make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include' Nothing to be done make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis' ( cd /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config; make /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x ; ) make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config' /usr/bin/gcc -g -o /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x depend.c /bin/rm -f depend.o make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 bas_blas.F bas_blasP.F basis.F converting bas_blas.F to 32-bit integers for BLAS/LAPACK [1] 24012 converting bas_blasP.F to 32-bit integers for BLAS/LAPACK [2] 24013 converting basis.F to 32-bit integers for BLAS/LAPACK [3] 24014 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F converting geom.F to 32-bit integers for BLAS/LAPACK [1] 26886 converting geom_input.F to 32-bit integers for BLAS/LAPACK [2] 26887 converting geom_print_ecce.F to 32-bit integers for BLAS/LAPACK [3] 26888 converting geom_hnd.F to 32-bit integers for BLAS/LAPACK [4] 26889 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting geom_3d.F to 32-bit integers for BLAS/LAPACK [1] 26890 converting geom_getsym.F to 32-bit integers for BLAS/LAPACK [2] 26891 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' Making 64_to_32 in hdbm make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 task_num_grad.F task_bsse.F converting task_num_grad.F to 32-bit integers for BLAS/LAPACK [1] 11878 converting task_bsse.F to 32-bit integers for BLAS/LAPACK [2] 11879 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 sym_bs_irrep.F sym_g_sym.F sym_geom_prj.F sym_mo_adapt.F sym_op_clsfy.F sym_op_mtab.F sym_put_geom.F dosymops.F sym_abelian.F sym_bs_ir_id.F converting sym_bs_irrep.F to 32-bit integers for BLAS/LAPACK [1] 14787 converting sym_g_sym.F to 32-bit integers for BLAS/LAPACK [2] 14788 converting sym_geom_prj.F to 32-bit integers for BLAS/LAPACK [3] 14789 converting sym_mo_adapt.F to 32-bit integers for BLAS/LAPACK [4] 14790 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sym_op_clsfy.F to 32-bit integers for BLAS/LAPACK [1] 14791 converting sym_op_mtab.F to 32-bit integers for BLAS/LAPACK [2] 14792 converting sym_put_geom.F to 32-bit integers for BLAS/LAPACK [3] 14793 converting dosymops.F to 32-bit integers for BLAS/LAPACK [4] 14794 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sym_abelian.F to 32-bit integers for BLAS/LAPACK [1] 14795 converting sym_bs_ir_id.F to 32-bit integers for BLAS/LAPACK [2] 14796 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' Making 64_to_32 in md5 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util/md5' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util/md5' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util/md5' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util/md5' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 util.fh ga_it_lsolve.F ga_maxelt.F ga_mix.F ga_iter_diag.F ga_orthog.F dabsmax.F ga_normf.F corr_mk_ref.F ga_it2.F ga_lkain_ext.F util_file_name.F dgefa.f util_patch_test.F stpr_sjacobi.F util_dgeev.F util_test_cholesky.F converting util.fh to 32-bit integers for BLAS/LAPACK [1] 20952 converting ga_it_lsolve.F to 32-bit integers for BLAS/LAPACK [2] 20953 converting ga_maxelt.F to 32-bit integers for BLAS/LAPACK [3] 20954 converting ga_mix.F to 32-bit integers for BLAS/LAPACK [4] 20955 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ga_iter_diag.F to 32-bit integers for BLAS/LAPACK [1] 20956 converting ga_orthog.F to 32-bit integers for BLAS/LAPACK [2] 20957 converting dabsmax.F to 32-bit integers for BLAS/LAPACK [3] 20958 converting ga_normf.F to 32-bit integers for BLAS/LAPACK [4] 20959 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting corr_mk_ref.F to 32-bit integers for BLAS/LAPACK [1] 20960 converting ga_it2.F to 32-bit integers for BLAS/LAPACK [2] 20961 converting ga_lkain_ext.F to 32-bit integers for BLAS/LAPACK [3] 20962 converting util_file_name.F to 32-bit integers for BLAS/LAPACK [4] 20963 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dgefa.f to 32-bit integers for BLAS/LAPACK [1] 20964 converting util_patch_test.F to 32-bit integers for BLAS/LAPACK [2] 20965 converting stpr_sjacobi.F to 32-bit integers for BLAS/LAPACK [3] 20966 converting util_dgeev.F to 32-bit integers for BLAS/LAPACK [4] 20967 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting util_test_cholesky.F to 32-bit integers for BLAS/LAPACK [1] 20968 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs' (cd ./src/c; make 64_to_32) make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/src/c' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 "*c *f *F" converting b_ortho.c to 32-bit integers for BLAS/LAPACK [1] 25689 converting chol_bcst.c to 32-bit integers for BLAS/LAPACK [2] 25690 converting choleski9.c to 32-bit integers for BLAS/LAPACK [3] 25691 converting ci_entry.c to 32-bit integers for BLAS/LAPACK [4] 25692 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting clustrf3.c to 32-bit integers for BLAS/LAPACK [1] 25693 converting clustrf4.c to 32-bit integers for BLAS/LAPACK [2] 25694 converting clustrf5.c to 32-bit integers for BLAS/LAPACK [3] 25695 converting clustrfix.c to 32-bit integers for BLAS/LAPACK [4] 25696 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting clustrxx30.c to 32-bit integers for BLAS/LAPACK [1] 25697 converting clustrxx31.c to 32-bit integers for BLAS/LAPACK [2] 25698 converting clustrxx33.c to 32-bit integers for BLAS/LAPACK [3] 25699 converting clustrxx3.c to 32-bit integers for BLAS/LAPACK [4] 25700 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting clustrxx4.c to 32-bit integers for BLAS/LAPACK [1] 25701 converting clustrxx5.c to 32-bit integers for BLAS/LAPACK [2] 25702 converting clustrxx99.c to 32-bit integers for BLAS/LAPACK [3] 25703 converting conjug22.c to 32-bit integers for BLAS/LAPACK [4] 25704 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting de_sym.c to 32-bit integers for BLAS/LAPACK [1] 25705 converting exit2.c to 32-bit integers for BLAS/LAPACK [2] 25706 converting exit.c to 32-bit integers for BLAS/LAPACK [3] 25707 converting forLL.c to 32-bit integers for BLAS/LAPACK [4] 25708 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting forLU.c to 32-bit integers for BLAS/LAPACK [1] 25709 converting gmax.c to 32-bit integers for BLAS/LAPACK [2] 25710 converting inverse.c to 32-bit integers for BLAS/LAPACK [3] 25711 converting inv_it3.c to 32-bit integers for BLAS/LAPACK [4] 25712 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting inv_it44.c to 32-bit integers for BLAS/LAPACK [1] 25713 converting inv_it4.c to 32-bit integers for BLAS/LAPACK [2] 25714 converting inv_it5.c to 32-bit integers for BLAS/LAPACK [3] 25715 converting inv_it6.c to 32-bit integers for BLAS/LAPACK [4] 25716 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lu_mxm2.c to 32-bit integers for BLAS/LAPACK [1] 25717 converting mapchk.c to 32-bit integers for BLAS/LAPACK [2] 25718 converting mapdif1.c to 32-bit integers for BLAS/LAPACK [3] 25719 converting mapdif.c to 32-bit integers for BLAS/LAPACK [4] 25720 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting matmax.c to 32-bit integers for BLAS/LAPACK [1] 25721 converting mdif2b.c to 32-bit integers for BLAS/LAPACK [2] 25722 converting mdiff1.c to 32-bit integers for BLAS/LAPACK [3] 25723 converting mdiff2.c to 32-bit integers for BLAS/LAPACK [4] 25724 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting memreq2.c to 32-bit integers for BLAS/LAPACK [1] 25725 converting memreq.c to 32-bit integers for BLAS/LAPACK [2] 25726 converting memreq_eval.c to 32-bit integers for BLAS/LAPACK [3] 25727 converting memreq_f.c to 32-bit integers for BLAS/LAPACK [4] 25728 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mgs4.c to 32-bit integers for BLAS/LAPACK [1] 25729 converting mgs5.c to 32-bit integers for BLAS/LAPACK [2] 25730 converting mgscs.c to 32-bit integers for BLAS/LAPACK [3] 25731 converting mxm25.c to 32-bit integers for BLAS/LAPACK [4] 25732 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mxm5x.c to 32-bit integers for BLAS/LAPACK [1] 25733 converting mxm88.c to 32-bit integers for BLAS/LAPACK [2] 25734 converting mxm_ll1.c to 32-bit integers for BLAS/LAPACK [3] 25735 converting onenorm.c to 32-bit integers for BLAS/LAPACK [4] 25736 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ortho2.c to 32-bit integers for BLAS/LAPACK [1] 25737 converting ortho.c to 32-bit integers for BLAS/LAPACK [2] 25738 converting pdcomplex.c to 32-bit integers for BLAS/LAPACK [3] 25739 converting pdiff.c to 32-bit integers for BLAS/LAPACK [4] 25740 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdspeval.c to 32-bit integers for BLAS/LAPACK [1] 25741 converting pdspev_c.c to 32-bit integers for BLAS/LAPACK [2] 25742 converting pdspevx.c to 32-bit integers for BLAS/LAPACK [3] 25743 converting pdspgv_c.c to 32-bit integers for BLAS/LAPACK [4] 25744 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdspgvx.c to 32-bit integers for BLAS/LAPACK [1] 25745 converting pdsptri2.c to 32-bit integers for BLAS/LAPACK [2] 25746 converting pdsptri.c to 32-bit integers for BLAS/LAPACK [3] 25747 converting peigs_dlasq1.c to 32-bit integers for BLAS/LAPACK [4] 25748 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting peigs_tldlfact.c to 32-bit integers for BLAS/LAPACK [1] 25749 converting pgexit.c to 32-bit integers for BLAS/LAPACK [2] 25750 converting pipe_fut.c to 32-bit integers for BLAS/LAPACK [3] 25751 converting pmmlsl2.c to 32-bit integers for BLAS/LAPACK [4] 25752 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pmmLSL.c to 32-bit integers for BLAS/LAPACK [1] 25754 converting pmmLUL.c to 32-bit integers for BLAS/LAPACK [2] 25755 converting pscale.c to 32-bit integers for BLAS/LAPACK [3] 25756 converting pstebz10.c to 32-bit integers for BLAS/LAPACK [4] 25757 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pstebz11.c to 32-bit integers for BLAS/LAPACK [1] 25758 converting pstebz9.c to 32-bit integers for BLAS/LAPACK [2] 25759 converting pstein3.c to 32-bit integers for BLAS/LAPACK [3] 25760 converting pstein44.c to 32-bit integers for BLAS/LAPACK [4] 25761 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pstein4.c to 32-bit integers for BLAS/LAPACK [1] 25762 converting pstein5.c to 32-bit integers for BLAS/LAPACK [2] 25763 converting pxerbla.c to 32-bit integers for BLAS/LAPACK [3] 25764 converting qsort.c to 32-bit integers for BLAS/LAPACK [4] 25765 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting reducemap.c to 32-bit integers for BLAS/LAPACK [1] 25766 converting resid.c to 32-bit integers for BLAS/LAPACK [2] 25767 converting residual.c to 32-bit integers for BLAS/LAPACK [3] 25768 converting r_ritz.c to 32-bit integers for BLAS/LAPACK [4] 25769 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sfnorm.c to 32-bit integers for BLAS/LAPACK [1] 25770 converting shellsort.c to 32-bit integers for BLAS/LAPACK [2] 25771 converting soluf.c to 32-bit integers for BLAS/LAPACK [3] 25772 converting sonenorm.c to 32-bit integers for BLAS/LAPACK [4] 25773 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting soort.c to 32-bit integers for BLAS/LAPACK [1] 25774 converting sort.c to 32-bit integers for BLAS/LAPACK [2] 25775 converting sorteig.c to 32-bit integers for BLAS/LAPACK [3] 25776 converting tred22.c to 32-bit integers for BLAS/LAPACK [4] 25777 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting treesort3.c to 32-bit integers for BLAS/LAPACK [1] 25778 converting tresid.c to 32-bit integers for BLAS/LAPACK [2] 25779 converting util.c to 32-bit integers for BLAS/LAPACK [3] 25780 converting xerbla.c to 32-bit integers for BLAS/LAPACK [4] 25781 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting peigs_cmod.f to 32-bit integers for BLAS/LAPACK [1] 25782 converting gdot.F to 32-bit integers for BLAS/LAPACK [2] 25783 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/src/c' (cd ./src/f77; make 64_to_32) make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/src/f77' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 types.f inverm.F \ dgetavec.F dgetavec2.f dgetavec3.f dgetavec4.F \ dptsvx2.f dspevx2.F converting types.f to 32-bit integers for BLAS/LAPACK [1] 28151 converting inverm.F to 32-bit integers for BLAS/LAPACK [2] 28152 converting dgetavec.F to 32-bit integers for BLAS/LAPACK [3] 28153 converting dgetavec2.f to 32-bit integers for BLAS/LAPACK [4] 28154 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dgetavec3.f to 32-bit integers for BLAS/LAPACK [1] 28155 converting dgetavec4.F to 32-bit integers for BLAS/LAPACK [2] 28156 converting dptsvx2.f to 32-bit integers for BLAS/LAPACK [3] 28157 converting dspevx2.F to 32-bit integers for BLAS/LAPACK [4] 28158 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/src/f77' (cd ./comm; make 64_to_32) make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/comm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 "*c *f *F" converting maxx.F to 32-bit integers for BLAS/LAPACK [1] 30520 converting mxbrod.F to 32-bit integers for BLAS/LAPACK [2] 30521 converting mxcombv1.F to 32-bit integers for BLAS/LAPACK [3] 30522 converting mxsubs.F to 32-bit integers for BLAS/LAPACK [4] 30523 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting peigs_dgop.F to 32-bit integers for BLAS/LAPACK [1] 30524 converting sum.F to 32-bit integers for BLAS/LAPACK [2] 30525 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/comm' (cd ./ctof; make 64_to_32) make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/ctof' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 "*c *f *F" converting bortho_f.c to 32-bit integers for BLAS/LAPACK [1] 421 converting choleski_f.c to 32-bit integers for BLAS/LAPACK [2] 422 converting inverse_f.c to 32-bit integers for BLAS/LAPACK [3] 423 converting mxm25_f.c to 32-bit integers for BLAS/LAPACK [4] 424 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mxm5x_f.c to 32-bit integers for BLAS/LAPACK [1] 425 converting mxm88_f.c to 32-bit integers for BLAS/LAPACK [2] 426 converting onenorm_f.c to 32-bit integers for BLAS/LAPACK [3] 427 converting ortho_f.c to 32-bit integers for BLAS/LAPACK [4] 428 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdspev_f.c to 32-bit integers for BLAS/LAPACK [1] 429 converting pdspevx_f.c to 32-bit integers for BLAS/LAPACK [2] 430 converting pdspgv_f.c to 32-bit integers for BLAS/LAPACK [3] 431 converting pdspgvx_f.c to 32-bit integers for BLAS/LAPACK [4] 432 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdsptri_f.c to 32-bit integers for BLAS/LAPACK [1] 433 converting resid_f.c to 32-bit integers for BLAS/LAPACK [2] 434 converting residual_f.c to 32-bit integers for BLAS/LAPACK [3] 435 converting sonenorm_f.c to 32-bit integers for BLAS/LAPACK [4] 436 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tresid_f.c to 32-bit integers for BLAS/LAPACK [1] 437 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/ctof' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK [1] 6356 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints' Making 64_to_32 in api make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 int_1e3ov.F int_hf1sp.F int_lgen1e.F intb_2e4c.F intbd_2e4c.F intd_1e3ov.F intd_1eh1.F intd_2e2c.F intd_2e4c.F intd_mpolel.F intp_txyz.F intpd_mpolel.F intbdd_2e4c.F int_2e4c.F intdd_2e2c.F intdd_2e3c.F intd_2e3c.F intdd_2e4c.F intd_1epot.F intd_1epot_cosmo.F intpd_1eov.F intpd_2e3c.F intpd_1eke.F intpd_2e2c.F intpd_2e3ct.F converting int_1e3ov.F to 32-bit integers for BLAS/LAPACK [1] 15873 converting int_hf1sp.F to 32-bit integers for BLAS/LAPACK [2] 15874 converting int_lgen1e.F to 32-bit integers for BLAS/LAPACK [3] 15875 converting intb_2e4c.F to 32-bit integers for BLAS/LAPACK [4] 15876 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intbd_2e4c.F to 32-bit integers for BLAS/LAPACK [1] 15877 converting intd_1e3ov.F to 32-bit integers for BLAS/LAPACK [2] 15878 converting intd_1eh1.F to 32-bit integers for BLAS/LAPACK [3] 15879 converting intd_2e2c.F to 32-bit integers for BLAS/LAPACK [4] 15880 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intd_2e4c.F to 32-bit integers for BLAS/LAPACK [1] 15881 converting intd_mpolel.F to 32-bit integers for BLAS/LAPACK [2] 15882 converting intp_txyz.F to 32-bit integers for BLAS/LAPACK [3] 15883 converting intpd_mpolel.F to 32-bit integers for BLAS/LAPACK [4] 15884 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intbdd_2e4c.F to 32-bit integers for BLAS/LAPACK [1] 15885 converting int_2e4c.F to 32-bit integers for BLAS/LAPACK [2] 15886 converting intdd_2e2c.F to 32-bit integers for BLAS/LAPACK [3] 15887 converting intdd_2e3c.F to 32-bit integers for BLAS/LAPACK [4] 15888 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intd_2e3c.F to 32-bit integers for BLAS/LAPACK [1] 15890 converting intdd_2e4c.F to 32-bit integers for BLAS/LAPACK [2] 15891 converting intd_1epot.F to 32-bit integers for BLAS/LAPACK [3] 15892 converting intd_1epot_cosmo.F to 32-bit integers for BLAS/LAPACK [4] 15893 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intpd_1eov.F to 32-bit integers for BLAS/LAPACK [1] 15894 converting intpd_2e3c.F to 32-bit integers for BLAS/LAPACK [2] 15895 converting intpd_1eke.F to 32-bit integers for BLAS/LAPACK [3] 15896 converting intpd_2e2c.F to 32-bit integers for BLAS/LAPACK [4] 15897 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intpd_2e3ct.F to 32-bit integers for BLAS/LAPACK [1] 15898 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' Making 64_to_32 in int make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 hf2oi.f hfkei.f hfnai.f hfnai_er.F hf2.F igamma.F hferi.F hf1.F hf1mke3.f converting hf2oi.f to 32-bit integers for BLAS/LAPACK [1] 18775 converting hfkei.f to 32-bit integers for BLAS/LAPACK [2] 18776 converting hfnai.f to 32-bit integers for BLAS/LAPACK [3] 18777 converting hfnai_er.F to 32-bit integers for BLAS/LAPACK [4] 18778 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf2.F to 32-bit integers for BLAS/LAPACK [1] 18779 converting igamma.F to 32-bit integers for BLAS/LAPACK [2] 18780 converting hferi.F to 32-bit integers for BLAS/LAPACK [3] 18781 converting hf1.F to 32-bit integers for BLAS/LAPACK [4] 18782 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf1mke3.f to 32-bit integers for BLAS/LAPACK [1] 18783 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' Making 64_to_32 in auxil make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 int_spcart.F spherical.F xlm_norm.F xlmcoeff.F int_norm_2c.F int_spcart2.F converting int_spcart.F to 32-bit integers for BLAS/LAPACK [1] 21645 converting spherical.F to 32-bit integers for BLAS/LAPACK [2] 21646 converting xlm_norm.F to 32-bit integers for BLAS/LAPACK [3] 21647 converting xlmcoeff.F to 32-bit integers for BLAS/LAPACK [4] 21648 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting int_norm_2c.F to 32-bit integers for BLAS/LAPACK [1] 21649 converting int_spcart2.F to 32-bit integers for BLAS/LAPACK [2] 21650 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' Making 64_to_32 in ints_sp make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 sp1111.F converting sp1111.F to 32-bit integers for BLAS/LAPACK [1] 24512 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' Making 64_to_32 in deriv make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 hf1PRtoAB.f hf1d.F hf2PRtoAB.f hf2QStoCD.f hf2d.F hf2d_2a.F hf2d_2a2b.F hf2d_2b.F hf2d_3a.F hf2d_3a2b.F hfd3oi.F hf2d_all.F hfderi.F hf1d_cosmo.F converting hf1PRtoAB.f to 32-bit integers for BLAS/LAPACK [1] 27381 converting hf1d.F to 32-bit integers for BLAS/LAPACK [2] 27382 converting hf2PRtoAB.f to 32-bit integers for BLAS/LAPACK [3] 27383 converting hf2QStoCD.f to 32-bit integers for BLAS/LAPACK [4] 27384 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf2d.F to 32-bit integers for BLAS/LAPACK [1] 27385 converting hf2d_2a.F to 32-bit integers for BLAS/LAPACK [2] 27386 converting hf2d_2a2b.F to 32-bit integers for BLAS/LAPACK [3] 27387 converting hf2d_2b.F to 32-bit integers for BLAS/LAPACK [4] 27388 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf2d_3a.F to 32-bit integers for BLAS/LAPACK [1] 27389 converting hf2d_3a2b.F to 32-bit integers for BLAS/LAPACK [2] 27390 converting hfd3oi.F to 32-bit integers for BLAS/LAPACK [3] 27391 converting hf2d_all.F to 32-bit integers for BLAS/LAPACK [4] 27392 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hfderi.F to 32-bit integers for BLAS/LAPACK [1] 27393 converting hf1d_cosmo.F to 32-bit integers for BLAS/LAPACK [2] 27394 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' Making 64_to_32 in texas make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 amshift.F big_service.F trobsa.F getmem.F converting amshift.F to 32-bit integers for BLAS/LAPACK [1] 30259 converting big_service.F to 32-bit integers for BLAS/LAPACK [2] 30260 converting trobsa.F to 32-bit integers for BLAS/LAPACK [3] 30261 converting getmem.F to 32-bit integers for BLAS/LAPACK [4] 30262 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' Making 64_to_32 in ecp make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ecp_bess_pow.f ecp_cart_xpd.F ecp_cstrans.F ecp_grad_a.F ecp_grad_b.F ecp_gradient.F ecp_hessian.F ecp_int0.F ecp_int1.F ecp_int2.F ecp_integral.F ecp_local0.F ecp_local1.F ecp_local2.F ecp_locint1.F ecp_radint0.F ecp_radint1.F ecp_radint2.F ecp_s2ccoef.f ecp_so_ang.F ecp_t1_Q0asy.F ecp_t1_Q3asy.F ecp_t1_Q0pow.F ecp_t1_Q1pow.F ecp_t1_Q3pow.F ecp_t2_p0pow.F ecp_t2_p1pow.F ecp_t2_p3pow.F ecp_t2_p4pow.F ecp_skipint.F int_ecp.F converting ecp_bess_pow.f to 32-bit integers for BLAS/LAPACK [1] 657 converting ecp_cart_xpd.F to 32-bit integers for BLAS/LAPACK [2] 658 converting ecp_cstrans.F to 32-bit integers for BLAS/LAPACK [3] 659 converting ecp_grad_a.F to 32-bit integers for BLAS/LAPACK [4] 660 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_grad_b.F to 32-bit integers for BLAS/LAPACK [1] 661 converting ecp_gradient.F to 32-bit integers for BLAS/LAPACK [2] 662 converting ecp_hessian.F to 32-bit integers for BLAS/LAPACK [3] 663 converting ecp_int0.F to 32-bit integers for BLAS/LAPACK [4] 664 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_int1.F to 32-bit integers for BLAS/LAPACK [1] 665 converting ecp_int2.F to 32-bit integers for BLAS/LAPACK [2] 666 converting ecp_integral.F to 32-bit integers for BLAS/LAPACK [3] 667 converting ecp_local0.F to 32-bit integers for BLAS/LAPACK [4] 668 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_local1.F to 32-bit integers for BLAS/LAPACK [1] 669 converting ecp_local2.F to 32-bit integers for BLAS/LAPACK [2] 670 converting ecp_locint1.F to 32-bit integers for BLAS/LAPACK [3] 671 converting ecp_radint0.F to 32-bit integers for BLAS/LAPACK [4] 672 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_radint1.F to 32-bit integers for BLAS/LAPACK [1] 673 converting ecp_radint2.F to 32-bit integers for BLAS/LAPACK [2] 674 converting ecp_s2ccoef.f to 32-bit integers for BLAS/LAPACK [3] 675 converting ecp_so_ang.F to 32-bit integers for BLAS/LAPACK [4] 676 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_t1_Q0asy.F to 32-bit integers for BLAS/LAPACK [1] 677 converting ecp_t1_Q3asy.F to 32-bit integers for BLAS/LAPACK [2] 678 converting ecp_t1_Q0pow.F to 32-bit integers for BLAS/LAPACK [3] 679 converting ecp_t1_Q1pow.F to 32-bit integers for BLAS/LAPACK [4] 680 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_t1_Q3pow.F to 32-bit integers for BLAS/LAPACK [1] 681 converting ecp_t2_p0pow.F to 32-bit integers for BLAS/LAPACK [2] 682 converting ecp_t2_p1pow.F to 32-bit integers for BLAS/LAPACK [3] 683 converting ecp_t2_p3pow.F to 32-bit integers for BLAS/LAPACK [4] 684 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_t2_p4pow.F to 32-bit integers for BLAS/LAPACK [1] 685 converting ecp_skipint.F to 32-bit integers for BLAS/LAPACK [2] 686 converting int_ecp.F to 32-bit integers for BLAS/LAPACK [3] 687 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' Making 64_to_32 in hondo make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 hnd_stvint.F hnd_stvintd.F hnd_stvintdd.F hnd_elfder.F hnd_pso.F hnd_dso.F hnd_giaoh11.F hnd_giaoh01.F hnd_giaotv10.F hnd_giaobq10.F hnd_giaol10.F hnd_giaos10.F hnd_giaos100.F hnd_vstat.F hnd_veloc.F hnd_dipder.F hnd_angmom.F hnd_dipvel.F hnd_giahnd.F converting hnd_stvint.F to 32-bit integers for BLAS/LAPACK [1] 3569 converting hnd_stvintd.F to 32-bit integers for BLAS/LAPACK [2] 3570 converting hnd_stvintdd.F to 32-bit integers for BLAS/LAPACK [3] 3571 converting hnd_elfder.F to 32-bit integers for BLAS/LAPACK [4] 3572 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_pso.F to 32-bit integers for BLAS/LAPACK [1] 3573 converting hnd_dso.F to 32-bit integers for BLAS/LAPACK [2] 3574 converting hnd_giaoh11.F to 32-bit integers for BLAS/LAPACK [3] 3575 converting hnd_giaoh01.F to 32-bit integers for BLAS/LAPACK [4] 3576 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_giaotv10.F to 32-bit integers for BLAS/LAPACK [1] 3577 converting hnd_giaobq10.F to 32-bit integers for BLAS/LAPACK [2] 3578 converting hnd_giaol10.F to 32-bit integers for BLAS/LAPACK [3] 3579 converting hnd_giaos10.F to 32-bit integers for BLAS/LAPACK [4] 3580 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_giaos100.F to 32-bit integers for BLAS/LAPACK [1] 3581 converting hnd_vstat.F to 32-bit integers for BLAS/LAPACK [2] 3582 converting hnd_veloc.F to 32-bit integers for BLAS/LAPACK [3] 3583 converting hnd_dipder.F to 32-bit integers for BLAS/LAPACK [4] 3584 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_angmom.F to 32-bit integers for BLAS/LAPACK [1] 3585 converting hnd_dipvel.F to 32-bit integers for BLAS/LAPACK [2] 3586 converting hnd_giahnd.F to 32-bit integers for BLAS/LAPACK [3] 3587 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' Making 64_to_32 in rel make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 rel_onel.F rel_oneld.F rel_mpole.F rel_2e4c_sf.F rel_LLSS.F rel_SSLL.F rel_SSSS.F rel_2e4cd_sf.F rel_LLSSd.F rel_SSLLd.F rel_SSSSd.F rel_pot.F rel_pot2.F converting rel_onel.F to 32-bit integers for BLAS/LAPACK [1] 6628 converting rel_oneld.F to 32-bit integers for BLAS/LAPACK [2] 6629 converting rel_mpole.F to 32-bit integers for BLAS/LAPACK [3] 6630 converting rel_2e4c_sf.F to 32-bit integers for BLAS/LAPACK [4] 6631 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rel_LLSS.F to 32-bit integers for BLAS/LAPACK [1] 6632 converting rel_SSLL.F to 32-bit integers for BLAS/LAPACK [2] 6633 converting rel_SSSS.F to 32-bit integers for BLAS/LAPACK [3] 6634 converting rel_2e4cd_sf.F to 32-bit integers for BLAS/LAPACK [4] 6635 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rel_LLSSd.F to 32-bit integers for BLAS/LAPACK [1] 6636 converting rel_SSLLd.F to 32-bit integers for BLAS/LAPACK [2] 6637 converting rel_SSSSd.F to 32-bit integers for BLAS/LAPACK [3] 6638 converting rel_pot.F to 32-bit integers for BLAS/LAPACK [4] 6639 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rel_pot2.F to 32-bit integers for BLAS/LAPACK [1] 6640 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' Making 64_to_32 in dk make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 int_1edk_ga.F int_1edkso_ga.F converting int_1edk_ga.F to 32-bit integers for BLAS/LAPACK [1] 9570 converting int_1edkso_ga.F to 32-bit integers for BLAS/LAPACK [2] 9571 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 atomd.F atscf_atscf.F atscf_ecp.F converting atomd.F to 32-bit integers for BLAS/LAPACK [1] 12445 converting atscf_atscf.F to 32-bit integers for BLAS/LAPACK [2] 12446 converting atscf_ecp.F to 32-bit integers for BLAS/LAPACK [3] 12447 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' Making 64_to_32 in fast make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 potential.F pot_shell.F fmm.F newfmm.F testfmm.F cart_trans.F xlm_poles.F fastj.F solver.F converting potential.F to 32-bit integers for BLAS/LAPACK [1] 18222 converting pot_shell.F to 32-bit integers for BLAS/LAPACK [2] 18223 converting fmm.F to 32-bit integers for BLAS/LAPACK [3] 18224 converting newfmm.F to 32-bit integers for BLAS/LAPACK [4] 18225 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting testfmm.F to 32-bit integers for BLAS/LAPACK [1] 18226 converting cart_trans.F to 32-bit integers for BLAS/LAPACK [2] 18227 converting xlm_poles.F to 32-bit integers for BLAS/LAPACK [3] 18228 converting fastj.F to 32-bit integers for BLAS/LAPACK [4] 18229 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting solver.F to 32-bit integers for BLAS/LAPACK [1] 18230 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ao_fock_2e.F ao_replicated.F fock_2e_file.F fock_2e_slab.F int2e_file.F movecs_lock.F movecs_phase.F riscf_fock.F riscf_trans.F rohf_diis.F rohf_k2cf.F scf_movecs.F scf_vec_guess.F uhf.F movecs_frag.F localize.F fock_2e.F fock_2e_cam.F int_1e_ga.F movecs_rotate.F vectors.F ga_get2eri.F converting ao_fock_2e.F to 32-bit integers for BLAS/LAPACK [1] 18233 converting ao_replicated.F to 32-bit integers for BLAS/LAPACK [2] 18234 converting fock_2e_file.F to 32-bit integers for BLAS/LAPACK [3] 18235 converting fock_2e_slab.F to 32-bit integers for BLAS/LAPACK [4] 18236 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting int2e_file.F to 32-bit integers for BLAS/LAPACK [1] 18237 converting movecs_lock.F to 32-bit integers for BLAS/LAPACK [2] 18238 converting movecs_phase.F to 32-bit integers for BLAS/LAPACK [3] 18239 converting riscf_fock.F to 32-bit integers for BLAS/LAPACK [4] 18240 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting riscf_trans.F to 32-bit integers for BLAS/LAPACK [1] 18241 converting rohf_diis.F to 32-bit integers for BLAS/LAPACK [2] 18242 converting rohf_k2cf.F to 32-bit integers for BLAS/LAPACK [3] 18243 converting scf_movecs.F to 32-bit integers for BLAS/LAPACK [4] 18244 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting scf_vec_guess.F to 32-bit integers for BLAS/LAPACK [1] 18245 converting uhf.F to 32-bit integers for BLAS/LAPACK [2] 18246 converting movecs_frag.F to 32-bit integers for BLAS/LAPACK [3] 18247 converting localize.F to 32-bit integers for BLAS/LAPACK [4] 18248 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting fock_2e.F to 32-bit integers for BLAS/LAPACK [1] 18249 converting fock_2e_cam.F to 32-bit integers for BLAS/LAPACK [2] 18250 converting int_1e_ga.F to 32-bit integers for BLAS/LAPACK [3] 18251 converting movecs_rotate.F to 32-bit integers for BLAS/LAPACK [4] 18252 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting vectors.F to 32-bit integers for BLAS/LAPACK [1] 18253 converting ga_get2eri.F to 32-bit integers for BLAS/LAPACK [2] 18254 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 grad2.F ga_reorder.F grad_dens.F converting grad2.F to 32-bit integers for BLAS/LAPACK [1] 21116 converting ga_reorder.F to 32-bit integers for BLAS/LAPACK [2] 21117 converting grad_dens.F to 32-bit integers for BLAS/LAPACK [3] 21118 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 moints_2x.F moints_6x.F moints_aux2.F moints_ccsd.F moints_full.F moints_semi.F sifs0.F sifs1.F converting moints_2x.F to 32-bit integers for BLAS/LAPACK [1] 23980 converting moints_6x.F to 32-bit integers for BLAS/LAPACK [2] 23981 converting moints_aux2.F to 32-bit integers for BLAS/LAPACK [3] 23982 converting moints_ccsd.F to 32-bit integers for BLAS/LAPACK [4] 23983 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting moints_full.F to 32-bit integers for BLAS/LAPACK [1] 23984 converting moints_semi.F to 32-bit integers for BLAS/LAPACK [2] 23985 converting sifs0.F to 32-bit integers for BLAS/LAPACK [3] 23986 converting sifs1.F to 32-bit integers for BLAS/LAPACK [4] 23987 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I./include -I./grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft' Making 64_to_32 in include make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/include' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/include' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/include' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 xc_vwn_a.fh converting xc_vwn_a.fh to 32-bit integers for BLAS/LAPACK [1] 29717 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/include' Making 64_to_32 in input_dft make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/input_dft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/input_dft' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/input_dft' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/input_dft' Making 64_to_32 in scf_dft cat: /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/config.h: No such file or directory nm: '/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/global/src/scalapack.o': No such file cat: /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/config.h: No such file or directory cat: /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/config.h: No such file or directory make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' cat: /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/config.h: No such file or directory nm: '/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/global/src/scalapack.o': No such file cat: /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/config.h: No such file or directory cat: /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/config.h: No such file or directory make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F converting dft_mxovl.F to 32-bit integers for BLAS/LAPACK [1] 3015 converting diis_bld12.F to 32-bit integers for BLAS/LAPACK [2] 3016 converting diis_bsolve.F to 32-bit integers for BLAS/LAPACK [3] 3017 converting dft_densm.F to 32-bit integers for BLAS/LAPACK [4] 3018 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_swapab.F to 32-bit integers for BLAS/LAPACK [1] 3019 converting dft_canorg.F to 32-bit integers for BLAS/LAPACK [2] 3020 converting cdft_util.F to 32-bit integers for BLAS/LAPACK [3] 3021 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' Making 64_to_32 in scf_dft_cg make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft_cg' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft_cg' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft_cg' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft_cg' Making 64_to_32 in so_dft nm: '/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/global/src/scalapack.o': No such file make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/so_dft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/so_dft' nm: '/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/global/src/scalapack.o': No such file make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/so_dft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 dft_mxovlso.F diis_bld12_so.F diis_bsolve_so.F sym_mo_adapt_so.F sym_op_clsfy_so.F dft_scf_so.F ga_orthog_so.F dft_scf_utils_so.F converting dft_mxovlso.F to 32-bit integers for BLAS/LAPACK [1] 9002 converting diis_bld12_so.F to 32-bit integers for BLAS/LAPACK [2] 9003 converting diis_bsolve_so.F to 32-bit integers for BLAS/LAPACK [3] 9004 converting sym_mo_adapt_so.F to 32-bit integers for BLAS/LAPACK [4] 9005 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sym_op_clsfy_so.F to 32-bit integers for BLAS/LAPACK [1] 9006 converting dft_scf_so.F to 32-bit integers for BLAS/LAPACK [2] 9007 converting ga_orthog_so.F to 32-bit integers for BLAS/LAPACK [3] 9008 converting dft_scf_utils_so.F to 32-bit integers for BLAS/LAPACK [4] 9009 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/so_dft' Making 64_to_32 in coulomb make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 dft_fitcd.F dft_fitvc.F dft_genspm.F dft_3cincor.F dft_get2eri.F converting dft_fitcd.F to 32-bit integers for BLAS/LAPACK [1] 11874 converting dft_fitvc.F to 32-bit integers for BLAS/LAPACK [2] 11875 converting dft_genspm.F to 32-bit integers for BLAS/LAPACK [3] 11876 converting dft_3cincor.F to 32-bit integers for BLAS/LAPACK [4] 11877 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_get2eri.F to 32-bit integers for BLAS/LAPACK [1] 11878 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' Making 64_to_32 in xc make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 xc_fitv.F xc_dirac.F xc_bnl.F xc_att_xc.F xc_tabcd.F xc_rhogen.F xc_oep.F xc_sic_pert.F xc_sic.F localize_sic.F xc_eval_basis.F xc_eval_fnl.F xc_fd.F xc_optc.F xc_atomblock.F scat_mat.F xc_replicated.F xc_vdw_main.F xc_vdw_util.F xc_3rd_deriv.F converting xc_fitv.F to 32-bit integers for BLAS/LAPACK [1] 14783 converting xc_dirac.F to 32-bit integers for BLAS/LAPACK [2] 14784 converting xc_bnl.F to 32-bit integers for BLAS/LAPACK [3] 14785 converting xc_att_xc.F to 32-bit integers for BLAS/LAPACK [4] 14786 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_tabcd.F to 32-bit integers for BLAS/LAPACK [1] 14787 converting xc_rhogen.F to 32-bit integers for BLAS/LAPACK [2] 14788 converting xc_oep.F to 32-bit integers for BLAS/LAPACK [3] 14789 converting xc_sic_pert.F to 32-bit integers for BLAS/LAPACK [4] 14790 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_sic.F to 32-bit integers for BLAS/LAPACK [1] 14791 converting localize_sic.F to 32-bit integers for BLAS/LAPACK [2] 14792 converting xc_eval_basis.F to 32-bit integers for BLAS/LAPACK [3] 14793 converting xc_eval_fnl.F to 32-bit integers for BLAS/LAPACK [4] 14794 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_fd.F to 32-bit integers for BLAS/LAPACK [1] 14795 converting xc_optc.F to 32-bit integers for BLAS/LAPACK [2] 14796 converting xc_atomblock.F to 32-bit integers for BLAS/LAPACK [3] 14797 converting scat_mat.F to 32-bit integers for BLAS/LAPACK [4] 14798 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_replicated.F to 32-bit integers for BLAS/LAPACK [1] 14799 converting xc_vdw_main.F to 32-bit integers for BLAS/LAPACK [2] 14800 converting xc_vdw_util.F to 32-bit integers for BLAS/LAPACK [3] 14801 converting xc_3rd_deriv.F to 32-bit integers for BLAS/LAPACK [4] 14802 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' Making 64_to_32 in util make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ga_chol_seq.F ga_inv_seq.F converting ga_chol_seq.F to 32-bit integers for BLAS/LAPACK [1] 17666 converting ga_inv_seq.F to 32-bit integers for BLAS/LAPACK [2] 17667 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' Making 64_to_32 in grid make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 grid_invariant.F grid_beckew.F grid_file.F grid_setspac.F grid_quadv0a.F grid_quadv0b.F grid_quadvw.F grid_tasks.F grid_pscreen.F grid_quadvw1.F grid_xcfit.F grid_sympts.F grid_ssw.F grid_finpts.F grid_ylm.F grid_eaf.F converting grid_invariant.F to 32-bit integers for BLAS/LAPACK [1] 20544 converting grid_beckew.F to 32-bit integers for BLAS/LAPACK [2] 20545 converting grid_file.F to 32-bit integers for BLAS/LAPACK [3] 20546 converting grid_setspac.F to 32-bit integers for BLAS/LAPACK [4] 20547 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting grid_quadv0a.F to 32-bit integers for BLAS/LAPACK [1] 20548 converting grid_quadv0b.F to 32-bit integers for BLAS/LAPACK [2] 20549 converting grid_quadvw.F to 32-bit integers for BLAS/LAPACK [3] 20550 converting grid_tasks.F to 32-bit integers for BLAS/LAPACK [4] 20551 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting grid_pscreen.F to 32-bit integers for BLAS/LAPACK [1] 20552 converting grid_quadvw1.F to 32-bit integers for BLAS/LAPACK [2] 20553 converting grid_xcfit.F to 32-bit integers for BLAS/LAPACK [3] 20554 converting grid_sympts.F to 32-bit integers for BLAS/LAPACK [4] 20555 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting grid_ssw.F to 32-bit integers for BLAS/LAPACK [1] 20556 converting grid_finpts.F to 32-bit integers for BLAS/LAPACK [2] 20557 converting grid_ylm.F to 32-bit integers for BLAS/LAPACK [3] 20558 converting grid_eaf.F to 32-bit integers for BLAS/LAPACK [4] 20559 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' Making 64_to_32 in dftgrad make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 dftg_cdfit.F dftg_quadv0b.F dftg_wderiv.F j_nucder_gen.F dft_gradients.F dftg_gridv0a.F dftg_gridv0b.F converting dftg_cdfit.F to 32-bit integers for BLAS/LAPACK [1] 23421 converting dftg_quadv0b.F to 32-bit integers for BLAS/LAPACK [2] 23422 converting dftg_wderiv.F to 32-bit integers for BLAS/LAPACK [3] 23423 converting j_nucder_gen.F to 32-bit integers for BLAS/LAPACK [4] 23424 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_gradients.F to 32-bit integers for BLAS/LAPACK [1] 23425 converting dftg_gridv0a.F to 32-bit integers for BLAS/LAPACK [2] 23426 converting dftg_gridv0b.F to 32-bit integers for BLAS/LAPACK [3] 23427 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' Making 64_to_32 in lr_tddft make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 tddft_diagon.F tddft_transfm.F converting tddft_diagon.F to 32-bit integers for BLAS/LAPACK [1] 26290 converting tddft_transfm.F to 32-bit integers for BLAS/LAPACK [2] 26291 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft' Making 64_to_32 in lr_tddft_grad make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft_grad' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft_grad' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft_grad' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 tddft_grad_gxc.F tddft_grad_compute_w.F tddft_grad_dxcdmat.F tddft_grad_dfxc.F tddft_grad_quadv0b.F tddft_grad_dvxc.F converting tddft_grad_gxc.F to 32-bit integers for BLAS/LAPACK [1] 29161 converting tddft_grad_compute_w.F to 32-bit integers for BLAS/LAPACK [2] 29162 converting tddft_grad_dxcdmat.F to 32-bit integers for BLAS/LAPACK [3] 29163 converting tddft_grad_dfxc.F to 32-bit integers for BLAS/LAPACK [4] 29164 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tddft_grad_quadv0b.F to 32-bit integers for BLAS/LAPACK [1] 29165 converting tddft_grad_dvxc.F to 32-bit integers for BLAS/LAPACK [2] 29166 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft_grad' Making 64_to_32 in zora make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F converting dft_zora_NMR.F to 32-bit integers for BLAS/LAPACK [1] 32030 converting dft_zora_EPR-NMR_tools.F to 32-bit integers for BLAS/LAPACK [2] 32031 converting zora_tabcd.F to 32-bit integers for BLAS/LAPACK [3] 32032 converting dft_zora_EPR.F to 32-bit integers for BLAS/LAPACK [4] 32033 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_zora_Hyperfine.F to 32-bit integers for BLAS/LAPACK [1] 32034 converting zora_tabcd_EFG.F to 32-bit integers for BLAS/LAPACK [2] 32035 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' Making 64_to_32 in spec cat: /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/config.h: No such file or directory make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' cat: /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/config.h: No such file or directory make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' Making 64_to_32 in rt_tddft make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft' Making 64_to_32 in matutils make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/matutils' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/matutils' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/matutils' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/matutils' Making 64_to_32 in rtutils make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/rtutils' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/rtutils' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/rtutils' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/rtutils' Making 64_to_32 in input make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/input' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/input' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/input' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/input' Making 64_to_32 in init make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/init' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/init' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/init' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/init' Making 64_to_32 in canorg make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/canorg' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/canorg' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/canorg' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/canorg' Making 64_to_32 in propagators make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/propagators' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/propagators' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/propagators' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/propagators' Making 64_to_32 in closedshell make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/closedshell' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/closedshell' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/closedshell' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/closedshell' Making 64_to_32 in openshell make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/openshell' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/openshell' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/openshell' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/openshell' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 dgecop.F eval_3ci.F rimp2_v_e2.F xf3ci_s12a.F xf3ci_s12b.F converting dgecop.F to 32-bit integers for BLAS/LAPACK [1] 32201 converting eval_3ci.F to 32-bit integers for BLAS/LAPACK [2] 32202 converting rimp2_v_e2.F to 32-bit integers for BLAS/LAPACK [3] 32203 converting xf3ci_s12a.F to 32-bit integers for BLAS/LAPACK [4] 32204 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xf3ci_s12b.F to 32-bit integers for BLAS/LAPACK [1] 32205 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 stpr_driver.F stpr_mkstep.F stpr_partit.F stpr_gh_at.F converting stpr_driver.F to 32-bit integers for BLAS/LAPACK [1] 2605 converting stpr_mkstep.F to 32-bit integers for BLAS/LAPACK [2] 2606 converting stpr_partit.F to 32-bit integers for BLAS/LAPACK [3] 2607 converting stpr_gh_at.F to 32-bit integers for BLAS/LAPACK [4] 2608 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F converting opt_drv.F to 32-bit integers for BLAS/LAPACK [1] 5627 converting oniom.F to 32-bit integers for BLAS/LAPACK [2] 5628 converting lbfgs.F to 32-bit integers for BLAS/LAPACK [3] 5629 converting lbfgs-b.F to 32-bit integers for BLAS/LAPACK [4] 5630 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lbfgs-b_driver.F to 32-bit integers for BLAS/LAPACK [1] 5631 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim' Making 64_to_32 in deloc make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' Making 64_to_32 in mepgs make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 mepgs_drv.F converting mepgs_drv.F to 32-bit integers for BLAS/LAPACK [1] 14897 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' Making 64_to_32 in tropt make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 tropt_drv.F converting tropt_drv.F to 32-bit integers for BLAS/LAPACK [1] 17761 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' Making 64_to_32 in neb make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 neb_drv.F neb_utils.F bead_list.F neb_input.F converting neb_drv.F to 32-bit integers for BLAS/LAPACK [1] 20637 converting neb_utils.F to 32-bit integers for BLAS/LAPACK [2] 20638 converting bead_list.F to 32-bit integers for BLAS/LAPACK [3] 20639 converting neb_input.F to 32-bit integers for BLAS/LAPACK [4] 20640 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' Making 64_to_32 in string make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 string.F converting string.F to 32-bit integers for BLAS/LAPACK [1] 23502 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ccsd_itm.F ccsd_t2pm.F ccsd_fsig1.F ccsd_fsig2.F ccsd_iterdrv2.F ccsd_pampt2.F ccsd_pampt3.F ccsd_pdiis.F ccsd_sortmo.F ccsd_trpdrv.F ccsd_trpdrv_omp.F moints_trp.F ccsd_zvecs.F ccsd_z2pm.F ccsd_tzinta.F ccsd_tzintb.F ccsd_zsig1.F ccsd_zsig2.F ccden_interm2.F ccden_1pdm.F geaxpy.f ccsd_mktau_ga.F ccden_2pdmb.F aoccsd2.F moints_trp.F converting ccsd_itm.F to 32-bit integers for BLAS/LAPACK [1] 29235 converting ccsd_t2pm.F to 32-bit integers for BLAS/LAPACK [2] 29236 converting ccsd_fsig1.F to 32-bit integers for BLAS/LAPACK [3] 29237 converting ccsd_fsig2.F to 32-bit integers for BLAS/LAPACK [4] 29238 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_iterdrv2.F to 32-bit integers for BLAS/LAPACK [1] 29239 converting ccsd_pampt2.F to 32-bit integers for BLAS/LAPACK [2] 29240 converting ccsd_pampt3.F to 32-bit integers for BLAS/LAPACK [3] 29241 converting ccsd_pdiis.F to 32-bit integers for BLAS/LAPACK [4] 29242 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_sortmo.F to 32-bit integers for BLAS/LAPACK [1] 29243 converting ccsd_trpdrv.F to 32-bit integers for BLAS/LAPACK [2] 29244 converting ccsd_trpdrv_omp.F to 32-bit integers for BLAS/LAPACK [3] 29245 converting moints_trp.F to 32-bit integers for BLAS/LAPACK [4] 29246 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_zvecs.F to 32-bit integers for BLAS/LAPACK [1] 29247 converting ccsd_z2pm.F to 32-bit integers for BLAS/LAPACK [2] 29248 converting ccsd_tzinta.F to 32-bit integers for BLAS/LAPACK [3] 29249 converting ccsd_tzintb.F to 32-bit integers for BLAS/LAPACK [4] 29250 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_zsig1.F to 32-bit integers for BLAS/LAPACK [1] 29251 converting ccsd_zsig2.F to 32-bit integers for BLAS/LAPACK [2] 29252 converting ccden_interm2.F to 32-bit integers for BLAS/LAPACK [3] 29253 converting ccden_1pdm.F to 32-bit integers for BLAS/LAPACK [4] 29254 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting geaxpy.f to 32-bit integers for BLAS/LAPACK [1] 29255 converting ccsd_mktau_ga.F to 32-bit integers for BLAS/LAPACK [2] 29256 converting ccden_2pdmb.F to 32-bit integers for BLAS/LAPACK [3] 29257 converting aoccsd2.F to 32-bit integers for BLAS/LAPACK [4] 29258 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting moints_trp.F to 32-bit integers for BLAS/LAPACK [1] 29259 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 vib_eckart.F vib_hmass.F vib_intense.F vib_nmass.F vib_tors.F vib_vib.F vib_wrtfreq.F vib_istep.F vib_thermo.F vib_phonon.F converting vib_eckart.F to 32-bit integers for BLAS/LAPACK [1] 32123 converting vib_hmass.F to 32-bit integers for BLAS/LAPACK [2] 32124 converting vib_intense.F to 32-bit integers for BLAS/LAPACK [3] 32125 converting vib_nmass.F to 32-bit integers for BLAS/LAPACK [4] 32126 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting vib_tors.F to 32-bit integers for BLAS/LAPACK [1] 32127 converting vib_vib.F to 32-bit integers for BLAS/LAPACK [2] 32128 converting vib_wrtfreq.F to 32-bit integers for BLAS/LAPACK [3] 32129 converting vib_istep.F to 32-bit integers for BLAS/LAPACK [4] 32130 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting vib_thermo.F to 32-bit integers for BLAS/LAPACK [1] 32131 converting vib_phonon.F to 32-bit integers for BLAS/LAPACK [2] 32132 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf' Making 64_to_32 in detci make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 detci_aux.F detci_dens.F detci_diag.F detci_sigma.F detci_spin.F converting detci_aux.F to 32-bit integers for BLAS/LAPACK [1] 5549 converting detci_dens.F to 32-bit integers for BLAS/LAPACK [2] 5550 converting detci_diag.F to 32-bit integers for BLAS/LAPACK [3] 5551 converting detci_sigma.F to 32-bit integers for BLAS/LAPACK [4] 5552 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting detci_spin.F to 32-bit integers for BLAS/LAPACK [1] 5553 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 hmat.F mcscf_aux.F mcscf_b.F mcscf_debug.F mcscf_fock.F mcscf_ohvmo.F mcscf_orb.F mcscf_prcnd.F converting hmat.F to 32-bit integers for BLAS/LAPACK [1] 5556 converting mcscf_aux.F to 32-bit integers for BLAS/LAPACK [2] 5557 converting mcscf_b.F to 32-bit integers for BLAS/LAPACK [3] 5558 converting mcscf_debug.F to 32-bit integers for BLAS/LAPACK [4] 5559 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mcscf_fock.F to 32-bit integers for BLAS/LAPACK [1] 5560 converting mcscf_ohvmo.F to 32-bit integers for BLAS/LAPACK [2] 5561 converting mcscf_orb.F to 32-bit integers for BLAS/LAPACK [3] 5562 converting mcscf_prcnd.F to 32-bit integers for BLAS/LAPACK [4] 5563 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 esp_esp.F esp_denmat.F converting esp_esp.F to 32-bit integers for BLAS/LAPACK [1] 11385 converting esp_denmat.F to 32-bit integers for BLAS/LAPACK [2] 11386 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian' Making 64_to_32 in analytic make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' Making 64_to_32 in dft make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../../nwdft/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 xc_cpks_coeff.F xc_d2expl.F xc_nucder_gen.F converting xc_cpks_coeff.F to 32-bit integers for BLAS/LAPACK [1] 20027 converting xc_d2expl.F to 32-bit integers for BLAS/LAPACK [2] 20028 converting xc_nucder_gen.F to 32-bit integers for BLAS/LAPACK [3] 20029 [3] + Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 onedd_calc.F hess_restart.F shell_fock_build.F shell_fock_build_cam.F twodd_cont.F converting onedd_calc.F to 32-bit integers for BLAS/LAPACK [1] 20032 converting hess_restart.F to 32-bit integers for BLAS/LAPACK [2] 20033 converting shell_fock_build.F to 32-bit integers for BLAS/LAPACK [3] 20034 converting shell_fock_build_cam.F to 32-bit integers for BLAS/LAPACK [4] 20035 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting twodd_cont.F to 32-bit integers for BLAS/LAPACK [1] 20036 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 hess_blas.F converting hess_blas.F to 32-bit integers for BLAS/LAPACK [1] 20039 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 davids.F fcidim.F makeh.F makehs.F makhdb.F tester.F selci_hpp.F converting davids.F to 32-bit integers for BLAS/LAPACK [1] 22903 converting fcidim.F to 32-bit integers for BLAS/LAPACK [2] 22904 converting makeh.F to 32-bit integers for BLAS/LAPACK [3] 22905 converting makehs.F to 32-bit integers for BLAS/LAPACK [4] 22906 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting makhdb.F to 32-bit integers for BLAS/LAPACK [1] 22907 converting tester.F to 32-bit integers for BLAS/LAPACK [2] 22908 converting selci_hpp.F to 32-bit integers for BLAS/LAPACK [3] 22909 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 dplot.F dmat.F create_contour.F get_charges.F dplot_dos.F converting dplot.F to 32-bit integers for BLAS/LAPACK [1] 25771 converting dmat.F to 32-bit integers for BLAS/LAPACK [2] 25772 converting create_contour.F to 32-bit integers for BLAS/LAPACK [3] 25773 converting get_charges.F to 32-bit integers for BLAS/LAPACK [4] 25774 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dplot_dos.F to 32-bit integers for BLAS/LAPACK [1] 25775 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 mp2_energy.F mp2_lai_uhf.F mp2_make_tuhf.F mp2_pijab_uhf.F mp2_wai_uhf.F mp2_wijab_uhf.F mp2_back_transform.F mp2_read_tiajb.F converting mp2_energy.F to 32-bit integers for BLAS/LAPACK [1] 28686 converting mp2_lai_uhf.F to 32-bit integers for BLAS/LAPACK [2] 28687 converting mp2_make_tuhf.F to 32-bit integers for BLAS/LAPACK [3] 28688 converting mp2_pijab_uhf.F to 32-bit integers for BLAS/LAPACK [4] 28689 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp2_wai_uhf.F to 32-bit integers for BLAS/LAPACK [1] 28694 converting mp2_wijab_uhf.F to 32-bit integers for BLAS/LAPACK [2] 28695 converting mp2_back_transform.F to 32-bit integers for BLAS/LAPACK [3] 28696 converting mp2_read_tiajb.F to 32-bit integers for BLAS/LAPACK [4] 28697 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 hnd_elfcon.F wnbofile.F hnd_spinspin.F hnd_mtpole.F hnd_mulken.F hnd_elpmap.F hnd_elfmap.F hnd_mtpcon.F giaofock.F hnd_spinspin.F aoresponse_driver.F raman.F hnd_efgmap_z4.F hnd_gshift_zora.F wshldfile.F int_giao_1ega.F whypfile.F wefgfile.F aoresponse_driver_new.F hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F converting hnd_elfcon.F to 32-bit integers for BLAS/LAPACK [1] 2773 converting wnbofile.F to 32-bit integers for BLAS/LAPACK [2] 2774 converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK [3] 2775 converting hnd_mtpole.F to 32-bit integers for BLAS/LAPACK [4] 2776 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_mulken.F to 32-bit integers for BLAS/LAPACK [1] 2777 converting hnd_elpmap.F to 32-bit integers for BLAS/LAPACK [2] 2778 converting hnd_elfmap.F to 32-bit integers for BLAS/LAPACK [3] 2780 converting hnd_mtpcon.F to 32-bit integers for BLAS/LAPACK [4] 2781 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting giaofock.F to 32-bit integers for BLAS/LAPACK [1] 2782 converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK [2] 2783 converting aoresponse_driver.F to 32-bit integers for BLAS/LAPACK [3] 2784 converting raman.F to 32-bit integers for BLAS/LAPACK [4] 2785 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_efgmap_z4.F to 32-bit integers for BLAS/LAPACK [1] 2786 converting hnd_gshift_zora.F to 32-bit integers for BLAS/LAPACK [2] 2787 converting wshldfile.F to 32-bit integers for BLAS/LAPACK [3] 2788 converting int_giao_1ega.F to 32-bit integers for BLAS/LAPACK [4] 2789 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting whypfile.F to 32-bit integers for BLAS/LAPACK [1] 2790 converting wefgfile.F to 32-bit integers for BLAS/LAPACK [2] 2791 converting aoresponse_driver_new.F to 32-bit integers for BLAS/LAPACK [3] 2792 converting hnd_elfcon_symm.F to 32-bit integers for BLAS/LAPACK [4] 2793 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wgshiftfile.F to 32-bit integers for BLAS/LAPACK [1] 2794 converting hnd_hyperfine_zora.F to 32-bit integers for BLAS/LAPACK [2] 2795 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw' Making 64_to_32 in nwpwlib make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib' Making 64_to_32 in Parallel make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 Parallel-mpi.F converting Parallel-mpi.F to 32-bit integers for BLAS/LAPACK [1] 14535 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' Making 64_to_32 in D1dB make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 D1dB-mpi.F Dne.F skew.F converting D1dB-mpi.F to 32-bit integers for BLAS/LAPACK [1] 17399 converting Dne.F to 32-bit integers for BLAS/LAPACK [2] 17400 converting skew.F to 32-bit integers for BLAS/LAPACK [3] 17401 [3] + Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' Making 64_to_32 in D3dB make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 D3dB-new.F D3dB_pfft.F D3dB-mpi.F converting D3dB-new.F to 32-bit integers for BLAS/LAPACK [1] 20277 converting D3dB_pfft.F to 32-bit integers for BLAS/LAPACK [2] 20278 converting D3dB-mpi.F to 32-bit integers for BLAS/LAPACK [3] 20279 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' Making 64_to_32 in Pneb make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 Pneb.F converting Pneb.F to 32-bit integers for BLAS/LAPACK [1] 23141 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' Making 64_to_32 in K1dB make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 K1dB-mpi.F converting K1dB-mpi.F to 32-bit integers for BLAS/LAPACK [1] 26003 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' Making 64_to_32 in C3dB make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 C3dB-new.F C3dB_pfft.F C3dB-tcgmsg.F C3dB-mpi.F converting C3dB-new.F to 32-bit integers for BLAS/LAPACK [1] 28872 converting C3dB_pfft.F to 32-bit integers for BLAS/LAPACK [2] 28873 converting C3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK [3] 28874 converting C3dB-mpi.F to 32-bit integers for BLAS/LAPACK [4] 28875 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' Making 64_to_32 in DMatrix make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 DMatrix-mpi.F DMatrix.F DMatrix-tcgmsg.F converting DMatrix-mpi.F to 32-bit integers for BLAS/LAPACK [1] 31740 converting DMatrix.F to 32-bit integers for BLAS/LAPACK [2] 31741 converting DMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK [3] 31742 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' Making 64_to_32 in CMatrix make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 CMatrix.F CMatrix-tcgmsg.F CMatrix-mpi.F converting CMatrix.F to 32-bit integers for BLAS/LAPACK [1] 2141 converting CMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK [2] 2142 converting CMatrix-mpi.F to 32-bit integers for BLAS/LAPACK [3] 2143 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' Making 64_to_32 in control make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 control.F converting control.F to 32-bit integers for BLAS/LAPACK [1] 5025 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' Making 64_to_32 in lattice make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 lattice.f pack.F G_init.F cram.F c_G_init.F converting lattice.f to 32-bit integers for BLAS/LAPACK [1] 8114 converting pack.F to 32-bit integers for BLAS/LAPACK [2] 8115 converting G_init.F to 32-bit integers for BLAS/LAPACK [3] 8116 converting cram.F to 32-bit integers for BLAS/LAPACK [4] 8117 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting c_G_init.F to 32-bit integers for BLAS/LAPACK [1] 8118 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' Making 64_to_32 in io make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' Making 64_to_32 in ion make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' Making 64_to_32 in shake make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 molecular.F converting molecular.F to 32-bit integers for BLAS/LAPACK [1] 16760 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' Making 64_to_32 in grimme_sh make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' 64_to_32 : no conversion necessary make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ion.F fcoord.f incell1.f incell2.f incell3.f unfold.f seperate_molpsp.F seperate_pointcharge.F ion_FixIon.F converting ion.F to 32-bit integers for BLAS/LAPACK [1] 19638 converting fcoord.f to 32-bit integers for BLAS/LAPACK [2] 19639 converting incell1.f to 32-bit integers for BLAS/LAPACK [3] 19640 converting incell2.f to 32-bit integers for BLAS/LAPACK [4] 19641 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting incell3.f to 32-bit integers for BLAS/LAPACK [1] 19642 converting unfold.f to 32-bit integers for BLAS/LAPACK [2] 19643 converting seperate_molpsp.F to 32-bit integers for BLAS/LAPACK [3] 19644 converting seperate_pointcharge.F to 32-bit integers for BLAS/LAPACK [4] 19645 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ion_FixIon.F to 32-bit integers for BLAS/LAPACK [1] 19646 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' Making 64_to_32 in pseudopotential make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' Making 64_to_32 in paw_atom make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' 64_to_32 : no conversion necessary make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' Making 64_to_32 in utilities make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' Making 64_to_32 in paw_utilities make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 nwpw_gaunt.F nwpw_compcharge.F nwpw_xc.F converting nwpw_gaunt.F to 32-bit integers for BLAS/LAPACK [1] 31099 converting nwpw_compcharge.F to 32-bit integers for BLAS/LAPACK [2] 31100 converting nwpw_xc.F to 32-bit integers for BLAS/LAPACK [3] 31101 [3] + Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 auto_corr.F matrix.f nwpw_scf_mixing.F kerker_G.F cell.F cellgeometry.F nwpw_list.F cpsi_data.F psi_data.F nwpw_diis.F nwpw_kain.F nwpw_matrix_invert.F generate_unfolded_xyz.F converting auto_corr.F to 32-bit integers for BLAS/LAPACK [1] 31104 converting matrix.f to 32-bit integers for BLAS/LAPACK [2] 31105 converting nwpw_scf_mixing.F to 32-bit integers for BLAS/LAPACK [3] 31106 converting kerker_G.F to 32-bit integers for BLAS/LAPACK [4] 31107 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cell.F to 32-bit integers for BLAS/LAPACK [1] 31108 converting cellgeometry.F to 32-bit integers for BLAS/LAPACK [2] 31109 converting nwpw_list.F to 32-bit integers for BLAS/LAPACK [3] 31110 converting cpsi_data.F to 32-bit integers for BLAS/LAPACK [4] 31111 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting psi_data.F to 32-bit integers for BLAS/LAPACK [1] 31112 converting nwpw_diis.F to 32-bit integers for BLAS/LAPACK [2] 31113 converting nwpw_kain.F to 32-bit integers for BLAS/LAPACK [3] 31114 converting nwpw_matrix_invert.F to 32-bit integers for BLAS/LAPACK [4] 31115 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting generate_unfolded_xyz.F to 32-bit integers for BLAS/LAPACK [1] 31116 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' Making 64_to_32 in unitcell make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' Making 64_to_32 in brillouin_zone make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' Making 64_to_32 in fractional make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 fractional.F frac_occ.F converting fractional.F to 32-bit integers for BLAS/LAPACK [1] 7485 converting frac_occ.F to 32-bit integers for BLAS/LAPACK [2] 7486 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' Making 64_to_32 in linesearch make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' Making 64_to_32 in timing make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 nwpw_timing.F converting nwpw_timing.F to 32-bit integers for BLAS/LAPACK [1] 13235 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' Making 64_to_32 in ewald make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ewald.F ewald_strfac.F converting ewald.F to 32-bit integers for BLAS/LAPACK [1] 16131 converting ewald_strfac.F to 32-bit integers for BLAS/LAPACK [2] 16132 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' Making 64_to_32 in thermostats make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 nose-hoover.F converting nose-hoover.F to 32-bit integers for BLAS/LAPACK [1] 19827 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' Making 64_to_32 in MetaDynamics make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 metadynamics.F converting metadynamics.F to 32-bit integers for BLAS/LAPACK [1] 22689 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' Making 64_to_32 in TAMD make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 tamd.F converting tamd.F to 32-bit integers for BLAS/LAPACK [1] 25551 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' Making 64_to_32 in FMM make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 fmm.F converting fmm.F to 32-bit integers for BLAS/LAPACK [1] 28420 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' Making 64_to_32 in md_xs make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' Making 64_to_32 in FEFF6L make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' 64_to_32 : no conversion necessary make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib' Making 64_to_32 in libraryps make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' Making 64_to_32 in pspw make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw' Making 64_to_32 in lib make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib' Making 64_to_32 in psi make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 psi.F geodesic.F geodesic2.F Grassman.F dipole.F psi_history.F skew.F geodesic1.F berry_phase_pol.F psi_dmatrix.F converting psi.F to 32-bit integers for BLAS/LAPACK [1] 13398 converting geodesic.F to 32-bit integers for BLAS/LAPACK [2] 13399 converting geodesic2.F to 32-bit integers for BLAS/LAPACK [3] 13400 converting Grassman.F to 32-bit integers for BLAS/LAPACK [4] 13401 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dipole.F to 32-bit integers for BLAS/LAPACK [1] 13402 converting psi_history.F to 32-bit integers for BLAS/LAPACK [2] 13403 converting skew.F to 32-bit integers for BLAS/LAPACK [3] 13404 converting geodesic1.F to 32-bit integers for BLAS/LAPACK [4] 13405 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting berry_phase_pol.F to 32-bit integers for BLAS/LAPACK [1] 13406 converting psi_dmatrix.F to 32-bit integers for BLAS/LAPACK [2] 13407 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' Making 64_to_32 in electron make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 electron.F psi_H.F psi_Hv4.F converting electron.F to 32-bit integers for BLAS/LAPACK [1] 16303 converting psi_H.F to 32-bit integers for BLAS/LAPACK [2] 16304 converting psi_Hv4.F to 32-bit integers for BLAS/LAPACK [3] 16305 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' Making 64_to_32 in ke make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ke.F converting ke.F to 32-bit integers for BLAS/LAPACK [1] 19181 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' Making 64_to_32 in coulomb make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 coulomb.F coulomb2.F coulomb_screened.F converting coulomb.F to 32-bit integers for BLAS/LAPACK [1] 22043 converting coulomb2.F to 32-bit integers for BLAS/LAPACK [2] 22044 converting coulomb_screened.F to 32-bit integers for BLAS/LAPACK [3] 22045 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' Making 64_to_32 in exchange-correlation make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 v_bwexc_euv.F v_bwexc.F nwpw_meta_gga.F converting v_bwexc_euv.F to 32-bit integers for BLAS/LAPACK [1] 24907 converting v_bwexc.F to 32-bit integers for BLAS/LAPACK [2] 24908 converting nwpw_meta_gga.F to 32-bit integers for BLAS/LAPACK [3] 24909 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' Making 64_to_32 in sic make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 pspw_sic.F converting pspw_sic.F to 32-bit integers for BLAS/LAPACK [1] 27778 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' Making 64_to_32 in hfx make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 pspw_hfx.F pspw_hfx_localized.F converting pspw_hfx.F to 32-bit integers for BLAS/LAPACK [1] 30641 converting pspw_hfx_localized.F to 32-bit integers for BLAS/LAPACK [2] 30642 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' Making 64_to_32 in ion make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' 64_to_32 : no conversion necessary make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' Making 64_to_32 in psp make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 psp.F psp_olddebug.F paw.F semicore.F semicore_force.F psp_stress.F semicore_force_a.F semicore_force_b.F psp_U.F psp_ld.F converting psp.F to 32-bit integers for BLAS/LAPACK [1] 3921 converting psp_olddebug.F to 32-bit integers for BLAS/LAPACK [2] 3922 converting paw.F to 32-bit integers for BLAS/LAPACK [3] 3923 converting semicore.F to 32-bit integers for BLAS/LAPACK [4] 3924 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting semicore_force.F to 32-bit integers for BLAS/LAPACK [1] 3925 converting psp_stress.F to 32-bit integers for BLAS/LAPACK [2] 3926 converting semicore_force_a.F to 32-bit integers for BLAS/LAPACK [3] 3927 converting semicore_force_b.F to 32-bit integers for BLAS/LAPACK [4] 3928 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting psp_U.F to 32-bit integers for BLAS/LAPACK [1] 3929 converting psp_ld.F to 32-bit integers for BLAS/LAPACK [2] 3930 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' Making 64_to_32 in Grsm_list make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 pspw_lmbfgs.F pspw_lmbfgs2.F pspw_diis.F pspw_Grsm_list.F pspw_rmmdiis.F converting pspw_lmbfgs.F to 32-bit integers for BLAS/LAPACK [1] 6969 converting pspw_lmbfgs2.F to 32-bit integers for BLAS/LAPACK [2] 6970 converting pspw_diis.F to 32-bit integers for BLAS/LAPACK [3] 6971 converting pspw_Grsm_list.F to 32-bit integers for BLAS/LAPACK [4] 6972 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pspw_rmmdiis.F to 32-bit integers for BLAS/LAPACK [1] 6973 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' Making 64_to_32 in aorbs make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 aorbs.F converting aorbs.F to 32-bit integers for BLAS/LAPACK [1] 9901 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' Making 64_to_32 in truncating_function make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 truncating_function.F converting truncating_function.F to 32-bit integers for BLAS/LAPACK [1] 12773 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib' Making 64_to_32 in kbpp make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 setup_kbpp.f integrate_kbppv3.f integrate_kbppv3d.f integrate_kbpp_orb.F integrate_stress.F integrate_d_stress.F HGH_local.F HGH_nonlocal.F Tesseral.F hghppv1.F pawppv1.F integrate_kbppv3d_new.f integrate_kbppv3_new.f integrate_d_stress_new.F integrate_pawppv1.F junk.f integrate_kbppv3_ray.f integrate_stress_new.F integrate_stress_ray.F integrate_paw_ray.F integrate_kbppv3e.f integrate_kbppv3e_new.f integrate_kbppv3e_ray.f kbppv3e_stress.F integrate_e_stress.F integrate_e_stress_new.F integrate_e_stress_ray.F kbppv3d.F converting setup_kbpp.f to 32-bit integers for BLAS/LAPACK [1] 15673 converting integrate_kbppv3.f to 32-bit integers for BLAS/LAPACK [2] 15674 converting integrate_kbppv3d.f to 32-bit integers for BLAS/LAPACK [3] 15675 converting integrate_kbpp_orb.F to 32-bit integers for BLAS/LAPACK [4] 15676 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_stress.F to 32-bit integers for BLAS/LAPACK [1] 15677 converting integrate_d_stress.F to 32-bit integers for BLAS/LAPACK [2] 15678 converting HGH_local.F to 32-bit integers for BLAS/LAPACK [3] 15679 converting HGH_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 15680 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting Tesseral.F to 32-bit integers for BLAS/LAPACK [1] 15681 converting hghppv1.F to 32-bit integers for BLAS/LAPACK [2] 15682 converting pawppv1.F to 32-bit integers for BLAS/LAPACK [3] 15683 converting integrate_kbppv3d_new.f to 32-bit integers for BLAS/LAPACK [4] 15684 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbppv3_new.f to 32-bit integers for BLAS/LAPACK [1] 15685 converting integrate_d_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 15686 converting integrate_pawppv1.F to 32-bit integers for BLAS/LAPACK [3] 15687 converting junk.f to 32-bit integers for BLAS/LAPACK [4] 15688 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbppv3_ray.f to 32-bit integers for BLAS/LAPACK [1] 15689 converting integrate_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 15690 converting integrate_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 15691 converting integrate_paw_ray.F to 32-bit integers for BLAS/LAPACK [4] 15692 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbppv3e.f to 32-bit integers for BLAS/LAPACK [1] 15693 converting integrate_kbppv3e_new.f to 32-bit integers for BLAS/LAPACK [2] 15694 converting integrate_kbppv3e_ray.f to 32-bit integers for BLAS/LAPACK [3] 15695 converting kbppv3e_stress.F to 32-bit integers for BLAS/LAPACK [4] 15696 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_e_stress.F to 32-bit integers for BLAS/LAPACK [1] 15697 converting integrate_e_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 15698 converting integrate_e_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 15699 converting kbppv3d.F to 32-bit integers for BLAS/LAPACK [4] 15700 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' Making 64_to_32 in makepsi make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 wvfnc_init.F v_wvfnc_init.F wvfnc_expander.F v_wvfnc_new.F wvfnc_new.F silvestrelli_minimize.F expand_cell.F wvfnc_expand_cell.F band_reformat_c_wvfnc.F wvfnc_adjust.F silvestrelli_minimize_old.F converting wvfnc_init.F to 32-bit integers for BLAS/LAPACK [1] 18578 converting v_wvfnc_init.F to 32-bit integers for BLAS/LAPACK [2] 18579 converting wvfnc_expander.F to 32-bit integers for BLAS/LAPACK [3] 18580 converting v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [4] 18581 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wvfnc_new.F to 32-bit integers for BLAS/LAPACK [1] 18582 converting silvestrelli_minimize.F to 32-bit integers for BLAS/LAPACK [2] 18583 converting expand_cell.F to 32-bit integers for BLAS/LAPACK [3] 18584 converting wvfnc_expand_cell.F to 32-bit integers for BLAS/LAPACK [4] 18585 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting band_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK [1] 18586 converting wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK [2] 18587 converting silvestrelli_minimize_old.F to 32-bit integers for BLAS/LAPACK [3] 18588 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' Making 64_to_32 in cpsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 psi_lmbda.f psi_lmbda2.f psi_lmbda3.f psi_lmbda_sic.f psi_lmbda_paw.f inner_loop.F inner_loop_md.F cpsdv5.F cpmdv5.F psi_lmbda2.f mmsdv1.F inner_loop_qmmm_step.F cpmd_qmmm_start.F cpmd_qmmm_stop.F mm_loop.F pspw_et.F converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK [1] 21450 converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK [2] 21451 converting psi_lmbda3.f to 32-bit integers for BLAS/LAPACK [3] 21452 converting psi_lmbda_sic.f to 32-bit integers for BLAS/LAPACK [4] 21453 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting psi_lmbda_paw.f to 32-bit integers for BLAS/LAPACK [1] 21454 converting inner_loop.F to 32-bit integers for BLAS/LAPACK [2] 21455 converting inner_loop_md.F to 32-bit integers for BLAS/LAPACK [3] 21456 converting cpsdv5.F to 32-bit integers for BLAS/LAPACK [4] 21457 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cpmdv5.F to 32-bit integers for BLAS/LAPACK [1] 21458 converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK [2] 21459 converting mmsdv1.F to 32-bit integers for BLAS/LAPACK [3] 21460 converting inner_loop_qmmm_step.F to 32-bit integers for BLAS/LAPACK [4] 21461 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cpmd_qmmm_start.F to 32-bit integers for BLAS/LAPACK [1] 21462 converting cpmd_qmmm_stop.F to 32-bit integers for BLAS/LAPACK [2] 21463 converting mm_loop.F to 32-bit integers for BLAS/LAPACK [3] 21464 converting pspw_et.F to 32-bit integers for BLAS/LAPACK [4] 21465 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' Making 64_to_32 in cgsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 cgsdv5.F cgmdv5.F cgmontecarlov1.F cgoptimize1.F cgsd_energy.F bybminimize.F bybminimize2.F pspw_bq_gradient.F cgminimize.F mmmdv1.F bfgsminimize2.F bfgsminimize3.F md_energy.F cgminimize2.F cgsd_noit_energy.F bfgsminimize.F converting cgsdv5.F to 32-bit integers for BLAS/LAPACK [1] 24329 converting cgmdv5.F to 32-bit integers for BLAS/LAPACK [2] 24330 converting cgmontecarlov1.F to 32-bit integers for BLAS/LAPACK [3] 24331 converting cgoptimize1.F to 32-bit integers for BLAS/LAPACK [4] 24332 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cgsd_energy.F to 32-bit integers for BLAS/LAPACK [1] 24333 converting bybminimize.F to 32-bit integers for BLAS/LAPACK [2] 24334 converting bybminimize2.F to 32-bit integers for BLAS/LAPACK [3] 24335 converting pspw_bq_gradient.F to 32-bit integers for BLAS/LAPACK [4] 24336 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cgminimize.F to 32-bit integers for BLAS/LAPACK [1] 24337 converting mmmdv1.F to 32-bit integers for BLAS/LAPACK [2] 24338 converting bfgsminimize2.F to 32-bit integers for BLAS/LAPACK [3] 24339 converting bfgsminimize3.F to 32-bit integers for BLAS/LAPACK [4] 24340 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting md_energy.F to 32-bit integers for BLAS/LAPACK [1] 24341 converting cgminimize2.F to 32-bit integers for BLAS/LAPACK [2] 24342 converting cgsd_noit_energy.F to 32-bit integers for BLAS/LAPACK [3] 24343 converting bfgsminimize.F to 32-bit integers for BLAS/LAPACK [4] 24344 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' Making 64_to_32 in analysis make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' Making 64_to_32 in APC make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 pspw_APC.F pspw_Efield.F pspw_Efield_grad.F converting pspw_APC.F to 32-bit integers for BLAS/LAPACK [1] 30073 converting pspw_Efield.F to 32-bit integers for BLAS/LAPACK [2] 30074 converting pspw_Efield_grad.F to 32-bit integers for BLAS/LAPACK [3] 30075 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 pspw_Lubin_water_analysis.F pspw_atom_analysis.F analysis.F orb_pop_kawai.F orb_pop_aorb.F converting pspw_Lubin_water_analysis.F to 32-bit integers for BLAS/LAPACK [1] 30078 converting pspw_atom_analysis.F to 32-bit integers for BLAS/LAPACK [2] 30079 converting analysis.F to 32-bit integers for BLAS/LAPACK [3] 30080 converting orb_pop_kawai.F to 32-bit integers for BLAS/LAPACK [4] 30081 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting orb_pop_aorb.F to 32-bit integers for BLAS/LAPACK [1] 30082 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' Making 64_to_32 in cell_optimize make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 update_unitcell.F stress_fd.F force_fd.F converting update_unitcell.F to 32-bit integers for BLAS/LAPACK [1] 477 converting stress_fd.F to 32-bit integers for BLAS/LAPACK [2] 478 converting force_fd.F to 32-bit integers for BLAS/LAPACK [3] 479 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' Making 64_to_32 in qmmm make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' Making 64_to_32 in pspw_LJ make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 pspw_LJ.F converting pspw_LJ.F to 32-bit integers for BLAS/LAPACK [1] 6394 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' Making 64_to_32 in pspw_Q make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 pspw_Q.F converting pspw_Q.F to 32-bit integers for BLAS/LAPACK [1] 9326 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' Making 64_to_32 in pspw_Pair make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 pspw_Pair.F converting pspw_Pair.F to 32-bit integers for BLAS/LAPACK [1] 13018 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' Making 64_to_32 in mmq make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 mmq.F converting mmq.F to 32-bit integers for BLAS/LAPACK [1] 15917 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 pspw_qmmm.F converting pspw_qmmm.F to 32-bit integers for BLAS/LAPACK [1] 15920 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' Making 64_to_32 in charge make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 pspw_charge.F converting pspw_charge.F to 32-bit integers for BLAS/LAPACK [1] 18797 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' Making 64_to_32 in dplot make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 pspw_dplot.F ELF.F converting pspw_dplot.F to 32-bit integers for BLAS/LAPACK [1] 21659 converting ELF.F to 32-bit integers for BLAS/LAPACK [2] 21660 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' Making 64_to_32 in lcao make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 lcao_diis_dn.F lcao_init_dn.F lcao_new_dn.F lcao_new_mix_dn.F lcao_generate_vhxcmatrix.F lcao_diis.F lcaov1.F converting lcao_diis_dn.F to 32-bit integers for BLAS/LAPACK [1] 24522 converting lcao_init_dn.F to 32-bit integers for BLAS/LAPACK [2] 24523 converting lcao_new_dn.F to 32-bit integers for BLAS/LAPACK [3] 24524 converting lcao_new_mix_dn.F to 32-bit integers for BLAS/LAPACK [4] 24525 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lcao_generate_vhxcmatrix.F to 32-bit integers for BLAS/LAPACK [1] 24526 converting lcao_diis.F to 32-bit integers for BLAS/LAPACK [2] 24527 converting lcaov1.F to 32-bit integers for BLAS/LAPACK [3] 24528 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw' Making 64_to_32 in paw make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw' Making 64_to_32 in paw_geometry make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_geometry' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_geometry' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_geometry' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_geometry' Making 64_to_32 in paw_ma make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' Making 64_to_32 in paw_utils make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 integrate.F converting integrate.F to 32-bit integers for BLAS/LAPACK [1] 3528 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' Making 64_to_32 in paw_basis make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' Making 64_to_32 in paw_proj make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_proj.F converting paw_proj.F to 32-bit integers for BLAS/LAPACK [1] 9498 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' Making 64_to_32 in paw_matrix make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' Making 64_to_32 in paw_ovlp make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_overlap_matrix.F paw_ovlp.F converting paw_overlap_matrix.F to 32-bit integers for BLAS/LAPACK [1] 15267 converting paw_ovlp.F to 32-bit integers for BLAS/LAPACK [2] 15268 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' Making 64_to_32 in paw_comp_charge make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' Making 64_to_32 in paw_special_functions make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' Making 64_to_32 in paw_gaunt make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' Making 64_to_32 in paw_kinetic make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' Making 64_to_32 in paw_vloc make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_vloc.F converting paw_vloc.F to 32-bit integers for BLAS/LAPACK [1] 29599 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' Making 64_to_32 in paw_ion_potential make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' Making 64_to_32 in paw_core make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' Making 64_to_32 in paw_hartree make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_pot_hartree.F paw_matrix_hartree.F converting paw_pot_hartree.F to 32-bit integers for BLAS/LAPACK [1] 5881 converting paw_matrix_hartree.F to 32-bit integers for BLAS/LAPACK [2] 5882 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' Making 64_to_32 in paw_comp_pot make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' Making 64_to_32 in paw_mult make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_mult.F paw_mult_interaction.F paw_mult_energy.F converting paw_mult.F to 32-bit integers for BLAS/LAPACK [1] 11705 converting paw_mult_interaction.F to 32-bit integers for BLAS/LAPACK [2] 11706 converting paw_mult_energy.F to 32-bit integers for BLAS/LAPACK [3] 11707 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' Making 64_to_32 in paw_nonlocal make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_nonlocal.F converting paw_nonlocal.F to 32-bit integers for BLAS/LAPACK [1] 14612 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' Making 64_to_32 in paw_density make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_density.F converting paw_density.F to 32-bit integers for BLAS/LAPACK [1] 17476 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' Making 64_to_32 in paw_xc make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_xc.F converting paw_xc.F to 32-bit integers for BLAS/LAPACK [1] 20352 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' Making 64_to_32 in paw_force make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_force.F converting paw_force.F to 32-bit integers for BLAS/LAPACK [1] 23215 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' Making 64_to_32 in paw_Grsm_list make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_Grsm_list.F paw_lmbfgs.F converting paw_Grsm_list.F to 32-bit integers for BLAS/LAPACK [1] 26079 converting paw_lmbfgs.F to 32-bit integers for BLAS/LAPACK [2] 26080 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' Making 64_to_32 in paw_psi make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_psi.F paw_geodesic.F paw_electron.F paw_psi2.F converting paw_psi.F to 32-bit integers for BLAS/LAPACK [1] 28949 converting paw_geodesic.F to 32-bit integers for BLAS/LAPACK [2] 28950 converting paw_electron.F to 32-bit integers for BLAS/LAPACK [3] 28951 converting paw_psi2.F to 32-bit integers for BLAS/LAPACK [4] 28952 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' Making 64_to_32 in cpsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_sd.F paw_inner_loop.F paw_cpmd.F paw_inner_loop_md.F converting paw_sd.F to 32-bit integers for BLAS/LAPACK [1] 31816 converting paw_inner_loop.F to 32-bit integers for BLAS/LAPACK [2] 31817 converting paw_cpmd.F to 32-bit integers for BLAS/LAPACK [3] 31818 converting paw_inner_loop_md.F to 32-bit integers for BLAS/LAPACK [4] 31819 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' Making 64_to_32 in cgsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_bfgsminimize.F paw_minimizer.F paw_cgsd_energy.F paw_cgminimize.F converting paw_bfgsminimize.F to 32-bit integers for BLAS/LAPACK [1] 2218 converting paw_minimizer.F to 32-bit integers for BLAS/LAPACK [2] 2219 converting paw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [3] 2220 converting paw_cgminimize.F to 32-bit integers for BLAS/LAPACK [4] 2221 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' Making 64_to_32 in cell_optimize make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 paw_stress_fd.F paw_update_unitcell.F converting paw_stress_fd.F to 32-bit integers for BLAS/LAPACK [1] 5138 converting paw_update_unitcell.F to 32-bit integers for BLAS/LAPACK [2] 5139 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw' Making 64_to_32 in band make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' Making 64_to_32 in minimizer make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 band_minimizer.F c_cgsd_energy.F c_cgsd_energy_gradient.F c_bybminimize.F c_bybminimize2.F c_cgsd_energy_stress.F converting band_minimizer.F to 32-bit integers for BLAS/LAPACK [1] 11924 converting c_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [2] 11925 converting c_cgsd_energy_gradient.F to 32-bit integers for BLAS/LAPACK [3] 11926 converting c_bybminimize.F to 32-bit integers for BLAS/LAPACK [4] 11927 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting c_bybminimize2.F to 32-bit integers for BLAS/LAPACK [1] 11928 converting c_cgsd_energy_stress.F to 32-bit integers for BLAS/LAPACK [2] 11929 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' Making 64_to_32 in structure make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 band_structure.F band_interpolate_structure.F band_kp_structure.F band_fft_structure.F converting band_structure.F to 32-bit integers for BLAS/LAPACK [1] 14834 converting band_interpolate_structure.F to 32-bit integers for BLAS/LAPACK [2] 14835 converting band_kp_structure.F to 32-bit integers for BLAS/LAPACK [3] 14836 converting band_fft_structure.F to 32-bit integers for BLAS/LAPACK [4] 14837 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' Making 64_to_32 in cpsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 band_sd.F band_cpmd.F band_inner_loop.F band_inner_loop_md.F converting band_sd.F to 32-bit integers for BLAS/LAPACK [1] 17701 converting band_cpmd.F to 32-bit integers for BLAS/LAPACK [2] 17702 converting band_inner_loop.F to 32-bit integers for BLAS/LAPACK [3] 17703 converting band_inner_loop_md.F to 32-bit integers for BLAS/LAPACK [4] 17704 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' Making 64_to_32 in cell_optimize make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 band_stress_fd.F band_update_unitcell.F converting band_stress_fd.F to 32-bit integers for BLAS/LAPACK [1] 20580 converting band_update_unitcell.F to 32-bit integers for BLAS/LAPACK [2] 20581 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' Making 64_to_32 in kbpp make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 kbpp_band.F kbpp_band_orb.F setup_kbpp_band.f integrate_kbpp_band_local.F integrate_kbpp_band_nonlocal.F integrate_kbpp_band_orb.F kbpp_band_stress.F integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_nonlocal.F HGH_band_local.F HGH_band_nonlocal.F Tesseral_band.F Spherical_band.F hghpp_band.F integrate_kbpp_band_ray.F integrate_kbpp_band_stress_ray.F rkbpp_band.F integrate_kbpp_band_local_new.F integrate_kbpp_e_band_local_new.F integrate_kbpp_band_stress_local_new.F integrate_kbpp_band_nonlocal_new.F integrate_kbpp_band_stress_nonlocal_new.F kbpp_e_band.F integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal_new.F integrate_kbpp_e_band_local.F integrate_kbpp_e_band_ray.F kbpp_e_band_stress.F integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal_new.F converting kbpp_band.F to 32-bit integers for BLAS/LAPACK [1] 23444 converting kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK [2] 23445 converting setup_kbpp_band.f to 32-bit integers for BLAS/LAPACK [3] 23446 converting integrate_kbpp_band_local.F to 32-bit integers for BLAS/LAPACK [4] 23447 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [1] 23448 converting integrate_kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK [2] 23449 converting kbpp_band_stress.F to 32-bit integers for BLAS/LAPACK [3] 23450 converting integrate_kbpp_band_stress_local.F to 32-bit integers for BLAS/LAPACK [4] 23451 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK [1] 23452 converting HGH_band_local.F to 32-bit integers for BLAS/LAPACK [2] 23453 converting HGH_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [3] 23454 converting Tesseral_band.F to 32-bit integers for BLAS/LAPACK [4] 23455 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting Spherical_band.F to 32-bit integers for BLAS/LAPACK [1] 23456 converting hghpp_band.F to 32-bit integers for BLAS/LAPACK [2] 23457 converting integrate_kbpp_band_ray.F to 32-bit integers for BLAS/LAPACK [3] 23458 converting integrate_kbpp_band_stress_ray.F to 32-bit integers for BLAS/LAPACK [4] 23459 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rkbpp_band.F to 32-bit integers for BLAS/LAPACK [1] 23460 converting integrate_kbpp_band_local_new.F to 32-bit integers for BLAS/LAPACK [2] 23461 converting integrate_kbpp_e_band_local_new.F to 32-bit integers for BLAS/LAPACK [3] 23462 converting integrate_kbpp_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK [4] 23463 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [1] 23464 converting integrate_kbpp_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [2] 23465 converting kbpp_e_band.F to 32-bit integers for BLAS/LAPACK [3] 23466 converting integrate_kbpp_e_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 23467 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_e_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [1] 23468 converting integrate_kbpp_e_band_local.F to 32-bit integers for BLAS/LAPACK [2] 23469 converting integrate_kbpp_e_band_ray.F to 32-bit integers for BLAS/LAPACK [3] 23470 converting kbpp_e_band_stress.F to 32-bit integers for BLAS/LAPACK [4] 23471 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_e_band_stress_local.F to 32-bit integers for BLAS/LAPACK [1] 23472 converting integrate_kbpp_e_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK [2] 23473 converting integrate_kbpp_e_band_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 23474 converting integrate_kbpp_e_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 23475 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_e_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [1] 23476 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' Making 64_to_32 in makepsi make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 pspw_reformat_c_wvfnc.F c_wvfnc_new.F c_wvfnc_expander.F c_v_wvfnc_new.F converting pspw_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK [1] 26338 converting c_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [2] 26339 converting c_wvfnc_expander.F to 32-bit integers for BLAS/LAPACK [3] 26340 converting c_v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [4] 26341 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' Making 64_to_32 in lib make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib' Making 64_to_32 in cpsp make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 cpsp.F cpsp_stress.F c_semicore.F cpsp_projector.F c_semicore_force_a.F c_semicore_force_b.F cpsp_relativistic.F converting cpsp.F to 32-bit integers for BLAS/LAPACK [1] 931 converting cpsp_stress.F to 32-bit integers for BLAS/LAPACK [2] 932 converting c_semicore.F to 32-bit integers for BLAS/LAPACK [3] 933 converting cpsp_projector.F to 32-bit integers for BLAS/LAPACK [4] 934 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting c_semicore_force_a.F to 32-bit integers for BLAS/LAPACK [1] 935 converting c_semicore_force_b.F to 32-bit integers for BLAS/LAPACK [2] 936 converting cpsp_relativistic.F to 32-bit integers for BLAS/LAPACK [3] 937 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' Making 64_to_32 in ke make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 cke.F converting cke.F to 32-bit integers for BLAS/LAPACK [1] 3834 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' Making 64_to_32 in coulomb make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 c_coulomb.F c_coulomb_screened.F converting c_coulomb.F to 32-bit integers for BLAS/LAPACK [1] 6873 converting c_coulomb_screened.F to 32-bit integers for BLAS/LAPACK [2] 6874 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' Making 64_to_32 in electron make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 c_electron.F psi_lmbda.f cpsi_H.F converting c_electron.F to 32-bit integers for BLAS/LAPACK [1] 9800 converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK [2] 9801 converting cpsi_H.F to 32-bit integers for BLAS/LAPACK [3] 9802 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' Making 64_to_32 in psi make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 cpsi.F c_geodesic.F cpsi_lmbda.F BGrsm.F cpsi_KS.F cpsi_read.F cpsi_write.F v_cpsi_read.F v_cpsi_write.F converting cpsi.F to 32-bit integers for BLAS/LAPACK [1] 12949 converting c_geodesic.F to 32-bit integers for BLAS/LAPACK [2] 12950 converting cpsi_lmbda.F to 32-bit integers for BLAS/LAPACK [3] 12951 converting BGrsm.F to 32-bit integers for BLAS/LAPACK [4] 12952 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cpsi_KS.F to 32-bit integers for BLAS/LAPACK [1] 12953 converting cpsi_read.F to 32-bit integers for BLAS/LAPACK [2] 12954 converting cpsi_write.F to 32-bit integers for BLAS/LAPACK [3] 12955 converting v_cpsi_read.F to 32-bit integers for BLAS/LAPACK [4] 12956 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting v_cpsi_write.F to 32-bit integers for BLAS/LAPACK [1] 12957 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' Making 64_to_32 in hfx make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 band_hfx.F converting band_hfx.F to 32-bit integers for BLAS/LAPACK [1] 15856 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' Making 64_to_32 in Grsm_list make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 band_Grsm_list.F band_lmbfgs.F converting band_Grsm_list.F to 32-bit integers for BLAS/LAPACK [1] 18733 converting band_lmbfgs.F to 32-bit integers for BLAS/LAPACK [2] 18734 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' Making 64_to_32 in borbs make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 borbs.F borb_projector.F converting borbs.F to 32-bit integers for BLAS/LAPACK [1] 21596 converting borb_projector.F to 32-bit integers for BLAS/LAPACK [2] 21597 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib' Making 64_to_32 in dplot make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 band_dplot.F converting band_dplot.F to 32-bit integers for BLAS/LAPACK [1] 24462 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' Making 64_to_32 in analysis make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 band_analysis.F orb_pop_borb.F converting band_analysis.F to 32-bit integers for BLAS/LAPACK [1] 27330 converting orb_pop_borb.F to 32-bit integers for BLAS/LAPACK [2] 27331 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' Making 64_to_32 in ofpw make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' Making 64_to_32 in minimizer make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ofpw_minimizer.F ofpw_cgsd_energy.F ofpw_cgminimize.F converting ofpw_minimizer.F to 32-bit integers for BLAS/LAPACK [1] 590 converting ofpw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [2] 591 converting ofpw_cgminimize.F to 32-bit integers for BLAS/LAPACK [3] 592 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' Making 64_to_32 in cpsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ofpwsd.F inner_loop_ofpw.F chi_lmbda.f converting ofpwsd.F to 32-bit integers for BLAS/LAPACK [1] 3467 converting inner_loop_ofpw.F to 32-bit integers for BLAS/LAPACK [2] 3468 converting chi_lmbda.f to 32-bit integers for BLAS/LAPACK [3] 3469 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' Making 64_to_32 in lib make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib' Making 64_to_32 in chi make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' 64_to_32 : no conversion necessary make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' Making 64_to_32 in electron make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 chi_H.F chi_Hv4.F converting chi_H.F to 32-bit integers for BLAS/LAPACK [1] 12310 converting chi_Hv4.F to 32-bit integers for BLAS/LAPACK [2] 12311 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' Making 64_to_32 in ke make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/ke' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/ke' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/ke' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 v_thomasfermi.F converting v_thomasfermi.F to 32-bit integers for BLAS/LAPACK [1] 15209 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/ke' Making 64_to_32 in WGC make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 wgc.F converting wgc.F to 32-bit integers for BLAS/LAPACK [1] 18073 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft' Making 64_to_32 in pfft1.0 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0' Making 64_to_32 in fftpack make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' Making 64_to_32 in pfft make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 drain.F fillup.F converting drain.F to 32-bit integers for BLAS/LAPACK [1] 29543 converting fillup.F to 32-bit integers for BLAS/LAPACK [2] 29544 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0' Making 64_to_32 in pfftwrap make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 nwc_gen.F nwc_s2.F nwc_s1.F converting nwc_gen.F to 32-bit integers for BLAS/LAPACK [1] 15375 converting nwc_s2.F to 32-bit integers for BLAS/LAPACK [2] 15376 converting nwc_s1.F to 32-bit integers for BLAS/LAPACK [3] 15377 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 vscf.F converting vscf.F to 32-bit integers for BLAS/LAPACK [1] 18255 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 task_qmmm_gradient.F qmmm_lbfgsb.F mm_interface.F converting task_qmmm_gradient.F to 32-bit integers for BLAS/LAPACK [1] 21117 converting qmmm_lbfgsb.F to 32-bit integers for BLAS/LAPACK [2] 21118 converting mm_interface.F to 32-bit integers for BLAS/LAPACK [3] 21119 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 et_dgefa.F converting et_dgefa.F to 32-bit integers for BLAS/LAPACK [1] 26845 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' Making 64_to_32 in include make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/include' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/include' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/include' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/include' Making 64_to_32 in diis make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 tce_diis.F converting tce_diis.F to 32-bit integers for BLAS/LAPACK [1] 2974 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' Making 64_to_32 in diis2 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 tce_diis2.F converting tce_diis2.F to 32-bit integers for BLAS/LAPACK [1] 5997 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' Making 64_to_32 in diis3 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 tce_diis3.F tce_diis3c.F converting tce_diis3.F to 32-bit integers for BLAS/LAPACK [1] 8950 converting tce_diis3c.F to 32-bit integers for BLAS/LAPACK [2] 8951 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' Making 64_to_32 in gradients make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ccsd_1pdm_hh_mo.F ccsd_1pdm_pp_mo.F ccsd_1pdm_hp_mo.F ccsd_1pdm_ph_mo.F ccsd_2pdm_hhhh_mo.F ccsd_2pdm_hhhp_mo.F ccsd_2pdm_hhpp_mo.F ccsd_2pdm_hphh_mo.F ccsd_2pdm_hphp_mo.F ccsd_2pdm_hppp_mo.F ccsd_2pdm_pphh_mo.F ccsd_2pdm_pphp_mo.F ccsd_2pdm_pppp_mo.F zvec_x_a_a.F zvec_x_a_b_a.F zvec_x_a_b_b.F zvec_x_a_c_a.F zvec_x_a_c_b.F zvec_x_a_d.F zvec_x_a_e_a.F zvec_x_a_e_b.F zvec_x_a_f_a.F zvec_x_a_f_b.F zvec_x_b_a_a.F zvec_x_b_a_b.F zvec_x_b_b_a.F zvec_x_b_b_b.F zvec_x_b_c.F zvec_x_b_d_a.F zvec_x_b_d_b.F zvec_x_b_e_a.F zvec_x_b_e_b.F zvec_x_b_f.F zvec_x_c_a.F zvec_x_c_b.F ccsd_zvec.F wdm_hh_mo_a.F wdm_hh_mo_b_a_a.F wdm_hh_mo_b_a_b.F wdm_hh_mo_b_b_a.F wdm_hh_mo_b_b_b.F wdm_hh_mo_c_a.F wdm_hh_mo_c_b_a.F wdm_hh_mo_c_b_b.F wdm_hh_mo_c_c_a.F wdm_hh_mo_c_c_b.F wdm_hh_mo_c_d.F wdm_hh_mo_c_e_a.F wdm_hh_mo_c_e_b.F wdm_hh_mo_c_f_a.F wdm_hh_mo_c_f_b.F wdm_hh_mo_d.F wdm_hp_mo_a.F wdm_hp_mo_b_a_a.F wdm_hp_mo_b_a_b.F wdm_hp_mo_b_b_a.F wdm_hp_mo_b_b_b.F wdm_hp_mo_b_c.F wdm_hp_mo_b_d_a.F wdm_hp_mo_b_d_b.F wdm_hp_mo_b_e_a.F wdm_hp_mo_b_e_b.F wdm_hp_mo_b_f.F wdm_hp_mo_c.F wdm_pp_mo_a.F wdm_pp_mo_b_a_a.F wdm_pp_mo_b_a_b.F wdm_pp_mo_b_b_a.F wdm_pp_mo_b_b_b.F wdm_pp_mo_b_c.F wdm_pp_mo_b_d_a.F wdm_pp_mo_b_d_b.F wdm_pp_mo_b_e_a.F wdm_pp_mo_b_e_b.F wdm_pp_mo_b_f.F eomccsd_1pdm_hh_mo.F eomccsd_1pdm_pp_mo.F tce_eomccsd_1prdm.F eomccsd_2pdm_hhhh_mo.F eomccsd_2pdm_hhhp_mo.F eomccsd_2pdm_hhpp_mo.F eomccsd_2pdm_hphh_mo.F eomccsd_2pdm_hphp_mo.F eomccsd_2pdm_hppp_mo.F eomccsd_2pdm_pphh_mo.F eomccsd_2pdm_pphp_mo.F eomccsd_2pdm_pppp_mo.F eomccsd_z1.F eomccsd_z2.F eomccsd_2pdm_pphh_zvec_mo.F eomccsd_1pdm_hp_mo.F eomccsd_1pdm_ph_mo.F eomccsd_x1_grad.F eomccsd_x2_grad.F tce_eom_xdiagon_grad.F tce_cisdt_denominator.F cisdtq_2pdm_hhhh_mo.F cisdtq_2pdm_hphp_mo.F cisdtq_2pdm_hppp_mo.F cisdtq_2pdm_pphp_mo.F cisdtq_2pdm_pppp_mo.F mp4_1pdm_pp_mo_III_b.F tce_cis_denominator.F cisd_1pdm_hh_mo.F ccsdt_2pdm_hphh_mo.F ccsdt_2pdm_hhhp_mo.F mp3_1pdm_hh_mo.F ccsdt_2pdm_pphh_mo.F tce_cisdtq_denominator.F tce_mp4_t24.F cis_x1.F cisd_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_II.F cisd_2pdm_hphp_mo.F cisdtq_1pdm_hh_mo.F cisd_2pdm_hppp_mo.F cisd_2pdm_pphp_mo.F cis_1pdm_pp_mo.F cisd_2pdm_pppp_mo.F ccsdt_1pdm_pp_mo.F cisdt_1pdm_pp_mo.F mp4_2pdm_hphh_mo.F mp2_1pdm_hh_mo.F mp4_2pdm_pphh_mo.F ccsdtq_2pdm_hphh_mo.F ccsdtq_2pdm_hhhp_mo.F cis_2pdm_hphp_mo.F tce_cisd_denominator.F ccsdtq_2pdm_pphh_mo.F cisdt_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_III_a.F ccsdtq_1pdm_pp_mo.F cisdt_2pdm_hphp_mo.F btrans1.F cisdt_2pdm_hppp_mo.F cisdt_2pdm_pphp_mo.F cisdt_2pdm_pppp_mo.F cisdtq_2pdm_hphh_mo.F cisdtq_2pdm_hhhp_mo.F wdm_hp_mo_b_d_a.F cisdtq_2pdm_pphh_mo.F cisdtq_2pdm_hhpp_mo.F mp4_1pdm_hh_mo_III_b.F btrans2.F ccsdt_2pdm_hhhh_mo.F wdm_hp_mo_b_d_b.F ccsdt_2pdm_hphp_mo.F cisd_1pdm_pp_mo.F ccsdt_2pdm_hppp_mo.F ccsdt_2pdm_pphp_mo.F mp3_1pdm_pp_mo.F ccsdt_2pdm_pppp_mo.F tce_mp2_norm.F cisd_2pdm_hphh_mo.F cisd_2pdm_hhhp_mo.F cis_1pdm_hh_mo.F cisd_2pdm_pphh_mo.F cisd_2pdm_hhpp_mo.F wdm_hp_mo_b_e_a.F ccsdt_1pdm_hh_mo.F mp4_1pdm_pp_mo_II.F cisdt_1pdm_hh_mo.F cisdtq_1pdm_pp_mo.F ccsdt_1pdm_ph_mo.F mp4_2pdm_hhhh_mo.F cis_xdiagon.F mp4_2pdm_hphp_mo.F ccsdtq_2pdm_hhhh_mo.F mp4_2pdm_pphp_mo.F mp2_1pdm_pp_mo.F mp3_2pdm_hhhh_mo.F ccsdtq_1pdm_hh_mo.F mp4_2pdm_pppp_mo.F ccsdtq_2pdm_hphp_mo.F wdm_hp_mo_b_e_b.F ccsdtq_1pdm_ph_mo.F ccsdtq_2pdm_hppp_mo.F ccsdtq_2pdm_pphp_mo.F cisdt_2pdm_hphh_mo.F cisdt_2pdm_hhhp_mo.F mp3_2pdm_hphp_mo.F ccsdtq_2pdm_pppp_mo.F cisdt_2pdm_pphh_mo.F cisdt_2pdm_hhpp_mo.F mp4_1pdm_pp_mo_III_a.F mp3_2pdm_pppp_mo.F converting ccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [1] 11816 converting ccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11817 converting ccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11818 converting ccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 11819 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [1] 11821 converting ccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11822 converting ccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11823 converting ccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [4] 11824 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11825 converting ccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11826 converting ccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [3] 11827 converting ccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [4] 11828 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11829 converting zvec_x_a_a.F to 32-bit integers for BLAS/LAPACK [2] 11830 converting zvec_x_a_b_a.F to 32-bit integers for BLAS/LAPACK [3] 11831 converting zvec_x_a_b_b.F to 32-bit integers for BLAS/LAPACK [4] 11832 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_a_c_a.F to 32-bit integers for BLAS/LAPACK [1] 11833 converting zvec_x_a_c_b.F to 32-bit integers for BLAS/LAPACK [2] 11834 converting zvec_x_a_d.F to 32-bit integers for BLAS/LAPACK [3] 11835 converting zvec_x_a_e_a.F to 32-bit integers for BLAS/LAPACK [4] 11836 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_a_e_b.F to 32-bit integers for BLAS/LAPACK [1] 11837 converting zvec_x_a_f_a.F to 32-bit integers for BLAS/LAPACK [2] 11838 converting zvec_x_a_f_b.F to 32-bit integers for BLAS/LAPACK [3] 11839 converting zvec_x_b_a_a.F to 32-bit integers for BLAS/LAPACK [4] 11840 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_b_a_b.F to 32-bit integers for BLAS/LAPACK [1] 11841 converting zvec_x_b_b_a.F to 32-bit integers for BLAS/LAPACK [2] 11842 converting zvec_x_b_b_b.F to 32-bit integers for BLAS/LAPACK [3] 11843 converting zvec_x_b_c.F to 32-bit integers for BLAS/LAPACK [4] 11844 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_b_d_a.F to 32-bit integers for BLAS/LAPACK [1] 11845 converting zvec_x_b_d_b.F to 32-bit integers for BLAS/LAPACK [2] 11846 converting zvec_x_b_e_a.F to 32-bit integers for BLAS/LAPACK [3] 11847 converting zvec_x_b_e_b.F to 32-bit integers for BLAS/LAPACK [4] 11848 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_b_f.F to 32-bit integers for BLAS/LAPACK [1] 11849 converting zvec_x_c_a.F to 32-bit integers for BLAS/LAPACK [2] 11850 converting zvec_x_c_b.F to 32-bit integers for BLAS/LAPACK [3] 11851 converting ccsd_zvec.F to 32-bit integers for BLAS/LAPACK [4] 11852 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hh_mo_a.F to 32-bit integers for BLAS/LAPACK [1] 11853 converting wdm_hh_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK [2] 11854 converting wdm_hh_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK [3] 11855 converting wdm_hh_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK [4] 11856 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hh_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK [1] 11857 converting wdm_hh_mo_c_a.F to 32-bit integers for BLAS/LAPACK [2] 11858 converting wdm_hh_mo_c_b_a.F to 32-bit integers for BLAS/LAPACK [3] 11859 converting wdm_hh_mo_c_b_b.F to 32-bit integers for BLAS/LAPACK [4] 11860 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hh_mo_c_c_a.F to 32-bit integers for BLAS/LAPACK [1] 11861 converting wdm_hh_mo_c_c_b.F to 32-bit integers for BLAS/LAPACK [2] 11862 converting wdm_hh_mo_c_d.F to 32-bit integers for BLAS/LAPACK [3] 11863 converting wdm_hh_mo_c_e_a.F to 32-bit integers for BLAS/LAPACK [4] 11864 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hh_mo_c_e_b.F to 32-bit integers for BLAS/LAPACK [1] 11865 converting wdm_hh_mo_c_f_a.F to 32-bit integers for BLAS/LAPACK [2] 11866 converting wdm_hh_mo_c_f_b.F to 32-bit integers for BLAS/LAPACK [3] 11867 converting wdm_hh_mo_d.F to 32-bit integers for BLAS/LAPACK [4] 11868 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hp_mo_a.F to 32-bit integers for BLAS/LAPACK [1] 11869 converting wdm_hp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK [2] 11870 converting wdm_hp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK [3] 11871 converting wdm_hp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK [4] 11872 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK [1] 11873 converting wdm_hp_mo_b_c.F to 32-bit integers for BLAS/LAPACK [2] 11874 converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK [3] 11875 converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK [4] 11876 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK [1] 11877 converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK [2] 11878 converting wdm_hp_mo_b_f.F to 32-bit integers for BLAS/LAPACK [3] 11879 converting wdm_hp_mo_c.F to 32-bit integers for BLAS/LAPACK [4] 11880 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_pp_mo_a.F to 32-bit integers for BLAS/LAPACK [1] 11881 converting wdm_pp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK [2] 11882 converting wdm_pp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK [3] 11883 converting wdm_pp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK [4] 11884 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_pp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK [1] 11885 converting wdm_pp_mo_b_c.F to 32-bit integers for BLAS/LAPACK [2] 11886 converting wdm_pp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK [3] 11887 converting wdm_pp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK [4] 11888 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_pp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK [1] 11889 converting wdm_pp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK [2] 11890 converting wdm_pp_mo_b_f.F to 32-bit integers for BLAS/LAPACK [3] 11891 converting eomccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 11892 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11893 converting tce_eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK [2] 11894 converting eomccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [3] 11895 converting eomccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [4] 11896 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11897 converting eomccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 11898 converting eomccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11899 converting eomccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [4] 11900 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [1] 11901 converting eomccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11902 converting eomccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11903 converting eomccsd_z1.F to 32-bit integers for BLAS/LAPACK [4] 11904 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_z2.F to 32-bit integers for BLAS/LAPACK [1] 11905 converting eomccsd_2pdm_pphh_zvec_mo.F to 32-bit integers for BLAS/LAPACK [2] 11906 converting eomccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11907 converting eomccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 11908 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_x1_grad.F to 32-bit integers for BLAS/LAPACK [1] 11909 converting eomccsd_x2_grad.F to 32-bit integers for BLAS/LAPACK [2] 11910 converting tce_eom_xdiagon_grad.F to 32-bit integers for BLAS/LAPACK [3] 11911 converting tce_cisdt_denominator.F to 32-bit integers for BLAS/LAPACK [4] 11912 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [1] 11913 converting cisdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11914 converting cisdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11915 converting cisdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [4] 11916 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11917 converting mp4_1pdm_pp_mo_III_b.F to 32-bit integers for BLAS/LAPACK [2] 11918 converting tce_cis_denominator.F to 32-bit integers for BLAS/LAPACK [3] 11919 converting cisd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 11920 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [1] 11921 converting ccsdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11922 converting mp3_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [3] 11923 converting ccsdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [4] 11924 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_cisdtq_denominator.F to 32-bit integers for BLAS/LAPACK [1] 11925 converting tce_mp4_t24.F to 32-bit integers for BLAS/LAPACK [2] 11926 converting cis_x1.F to 32-bit integers for BLAS/LAPACK [3] 11927 converting cisd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [4] 11928 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_1pdm_hh_mo_II.F to 32-bit integers for BLAS/LAPACK [1] 11929 converting cisd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11930 converting cisdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [3] 11931 converting cisd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [4] 11932 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11933 converting cis_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11934 converting cisd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11935 converting ccsdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [4] 11936 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11937 converting mp4_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 11938 converting mp2_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [3] 11939 converting mp4_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [4] 11940 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [1] 11941 converting ccsdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11942 converting cis_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11943 converting tce_cisd_denominator.F to 32-bit integers for BLAS/LAPACK [4] 11944 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [1] 11945 converting cisdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [2] 11946 converting mp4_1pdm_hh_mo_III_a.F to 32-bit integers for BLAS/LAPACK [3] 11947 converting ccsdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [4] 11948 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11950 converting btrans1.F to 32-bit integers for BLAS/LAPACK [2] 11951 converting cisdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11952 converting cisdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [4] 11953 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11954 converting cisdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 11955 converting cisdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11956 converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK [4] 11957 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [1] 11958 converting cisdtq_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11959 converting mp4_1pdm_hh_mo_III_b.F to 32-bit integers for BLAS/LAPACK [3] 11960 converting btrans2.F to 32-bit integers for BLAS/LAPACK [4] 11961 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [1] 11962 converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK [2] 11963 converting ccsdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11964 converting cisd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [4] 11965 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11966 converting ccsdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11967 converting mp3_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11968 converting ccsdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [4] 11969 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mp2_norm.F to 32-bit integers for BLAS/LAPACK [1] 11970 converting cisd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 11971 converting cisd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11972 converting cis_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 11973 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [1] 11974 converting cisd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11975 converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK [3] 11976 converting ccsdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 11977 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_1pdm_pp_mo_II.F to 32-bit integers for BLAS/LAPACK [1] 11978 converting cisdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [2] 11979 converting cisdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11980 converting ccsdt_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 11981 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [1] 11982 converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK [2] 11983 converting mp4_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 11984 converting ccsdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [4] 11985 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11986 converting mp2_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11987 converting mp3_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [3] 11988 converting ccsdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 11989 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11990 converting ccsdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11991 converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK [3] 11992 converting ccsdtq_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 11993 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11994 converting ccsdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11995 converting cisdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [3] 11996 converting cisdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [4] 11997 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp3_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [1] 11998 converting ccsdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [2] 11999 converting cisdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [3] 12000 converting cisdt_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [4] 12001 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_1pdm_pp_mo_III_a.F to 32-bit integers for BLAS/LAPACK [1] 12002 converting mp3_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [2] 12003 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' Making 64_to_32 in ccsd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ccsd_e.F ccsd_t1.F ccsd_t2.F cc2_t1.F cc2_t2.F ccsd_1prdm_hh.F ccsd_1prdm_hp.F ccsd_1prdm_ph.F ccsd_1prdm_pp.F ccsd_1prdm.F icsd_t1.F icsd_t2.F ccsd_t2_8.F converting ccsd_e.F to 32-bit integers for BLAS/LAPACK [1] 15027 converting ccsd_t1.F to 32-bit integers for BLAS/LAPACK [2] 15028 converting ccsd_t2.F to 32-bit integers for BLAS/LAPACK [3] 15029 converting cc2_t1.F to 32-bit integers for BLAS/LAPACK [4] 15031 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cc2_t2.F to 32-bit integers for BLAS/LAPACK [1] 15731 converting ccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK [2] 15732 converting ccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK [3] 15733 converting ccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK [4] 15734 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK [1] 15735 converting ccsd_1prdm.F to 32-bit integers for BLAS/LAPACK [2] 15736 converting icsd_t1.F to 32-bit integers for BLAS/LAPACK [3] 15737 converting icsd_t2.F to 32-bit integers for BLAS/LAPACK [4] 15738 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_t2_8.F to 32-bit integers for BLAS/LAPACK [1] 15739 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' Making 64_to_32 in ccsd_lambda make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ccsd_density1.F ccsd_lambda1_1.F ccsd_lambda1_2.F ccsd_lambda2.F ccsd_lambda1_mod.F converting ccsd_density1.F to 32-bit integers for BLAS/LAPACK [1] 18617 converting ccsd_lambda1_1.F to 32-bit integers for BLAS/LAPACK [2] 18618 converting ccsd_lambda1_2.F to 32-bit integers for BLAS/LAPACK [3] 18619 converting ccsd_lambda2.F to 32-bit integers for BLAS/LAPACK [4] 18620 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_lambda1_mod.F to 32-bit integers for BLAS/LAPACK [1] 18621 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' Making 64_to_32 in eomccsd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 eomccsd_x1.F eomccsd_x2.F eomccsd_y1.F eomccsd_y2.F eomccsd_denominator.F eomccsd_density1.F cc2_x1.F cc2_x2.F eomccsd_1prdm_hh.F eomccsd_1prdm_hp.F eomccsd_1prdm_ph.F eomccsd_1prdm_pp.F eomccsd_1prdm.F eomccsd_x1_old.F eomccsd_x2_old.F eomicsd_x1.F eomicsd_x2.F converting eomccsd_x1.F to 32-bit integers for BLAS/LAPACK [1] 21483 converting eomccsd_x2.F to 32-bit integers for BLAS/LAPACK [2] 21484 converting eomccsd_y1.F to 32-bit integers for BLAS/LAPACK [3] 21485 converting eomccsd_y2.F to 32-bit integers for BLAS/LAPACK [4] 21486 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_denominator.F to 32-bit integers for BLAS/LAPACK [1] 21488 converting eomccsd_density1.F to 32-bit integers for BLAS/LAPACK [2] 21489 converting cc2_x1.F to 32-bit integers for BLAS/LAPACK [3] 21490 converting cc2_x2.F to 32-bit integers for BLAS/LAPACK [4] 21491 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK [1] 21492 converting eomccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK [2] 21493 converting eomccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK [3] 21494 converting eomccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK [4] 21495 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK [1] 21496 converting eomccsd_x1_old.F to 32-bit integers for BLAS/LAPACK [2] 21497 converting eomccsd_x2_old.F to 32-bit integers for BLAS/LAPACK [3] 21498 converting eomicsd_x1.F to 32-bit integers for BLAS/LAPACK [4] 21499 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomicsd_x2.F to 32-bit integers for BLAS/LAPACK [1] 21500 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' Making 64_to_32 in ccsd_t make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ccsd_t_doubles.F ccsd_t_singles.F ccsd_t_doubles_l.F ccsd_t_singles_l.F lambda_ccsd_t_left.F ccsd2_q_left.F ccsd2_q_right.F ccsd2_t_left.F ccsdt2_q_left.F ccsdt2_q_right.F cr_ccsd_t_D.F cr_ccsd_t_E.F cr_ccsd_t_N.F lr_ccsd_tq.F cr_qcisd_t.F m2_dot_m1t1.F ccsd_t_singles_l_6dts.F ccsd_t_doubles_l_6dts.F ccsd_t.F converting ccsd_t_doubles.F to 32-bit integers for BLAS/LAPACK [1] 24363 converting ccsd_t_singles.F to 32-bit integers for BLAS/LAPACK [2] 24364 converting ccsd_t_doubles_l.F to 32-bit integers for BLAS/LAPACK [3] 24365 converting ccsd_t_singles_l.F to 32-bit integers for BLAS/LAPACK [4] 24366 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lambda_ccsd_t_left.F to 32-bit integers for BLAS/LAPACK [1] 24367 converting ccsd2_q_left.F to 32-bit integers for BLAS/LAPACK [2] 24368 converting ccsd2_q_right.F to 32-bit integers for BLAS/LAPACK [3] 24369 converting ccsd2_t_left.F to 32-bit integers for BLAS/LAPACK [4] 24370 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt2_q_left.F to 32-bit integers for BLAS/LAPACK [1] 24371 converting ccsdt2_q_right.F to 32-bit integers for BLAS/LAPACK [2] 24372 converting cr_ccsd_t_D.F to 32-bit integers for BLAS/LAPACK [3] 24373 converting cr_ccsd_t_E.F to 32-bit integers for BLAS/LAPACK [4] 24374 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_ccsd_t_N.F to 32-bit integers for BLAS/LAPACK [1] 24375 converting lr_ccsd_tq.F to 32-bit integers for BLAS/LAPACK [2] 24376 converting cr_qcisd_t.F to 32-bit integers for BLAS/LAPACK [3] 24377 converting m2_dot_m1t1.F to 32-bit integers for BLAS/LAPACK [4] 24378 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_t_singles_l_6dts.F to 32-bit integers for BLAS/LAPACK [1] 24379 converting ccsd_t_doubles_l_6dts.F to 32-bit integers for BLAS/LAPACK [2] 24380 converting ccsd_t.F to 32-bit integers for BLAS/LAPACK [3] 24381 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' Making 64_to_32 in cr-eomccsd_t make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 c1_c1.F c2_c2.F c2excit2.F cr_eomccsd_t_n2_1_1_2_2.F cr_eomccsd_t_n2_1_1_2.F cr_eomccsd_t_n2_1_1_3.F cr_eomccsd_t_n2_1_1.F cr_eomccsd_t_n2_1_2.F cr_eomccsd_t_n2_1_3_1.F cr_eomccsd_t_n2_1_3_2_1.F cr_eomccsd_t_n2_1_3_2.F cr_eomccsd_t_n2_1_3_3.F cr_eomccsd_t_n2_1_3.F cr_eomccsd_t_n2_1_4_1.F cr_eomccsd_t_n2_1_4.F cr_eomccsd_t_n2_1_5_1.F cr_eomccsd_t_n2_1_5.F cr_eomccsd_t_n2_1_6_1.F cr_eomccsd_t_n2_1_6.F cr_eomccsd_t_n2_1_7_2.F cr_eomccsd_t_n2_1_7.F cr_eomccsd_t_n2_1_8_2.F cr_eomccsd_t_n2_1_8.F cr_eomccsd_t_n2_1_9.F cr_eomccsd_t_n2_1.F cr_eomccsd_t_n2_2_1_2.F cr_eomccsd_t_n2_2_1_3.F cr_eomccsd_t_n2_2_1_4.F cr_eomccsd_t_n2_2_1.F cr_eomccsd_t_n2_2.F cr_eomccsd_t_n2_3_1.F cr_eomccsd_t_n2_3_2_1.F cr_eomccsd_t_n2_3_2.F cr_eomccsd_t_n2_3_3_2.F cr_eomccsd_t_n2_3_3.F cr_eomccsd_t_n2_3_4.F cr_eomccsd_t_n2_3.F cr_eomccsd_t_n2_4_1_1.F cr_eomccsd_t_n2_4_1_2_1.F cr_eomccsd_t_n2_4_1_2.F cr_eomccsd_t_n2_4_1_3_1.F cr_eomccsd_t_n2_4_1_3.F cr_eomccsd_t_n2_4_1_4.F cr_eomccsd_t_n2_4_1.F cr_eomccsd_t_n2_4_2_2_2.F cr_eomccsd_t_n2_4_2_2.F cr_eomccsd_t_n2_4_2_3.F cr_eomccsd_t_n2_4_2_4.F cr_eomccsd_t_n2_4_2.F cr_eomccsd_t_n2_4.F cr_eomccsd_t_n2_5_2_2_2.F cr_eomccsd_t_n2_5_2_2.F cr_eomccsd_t_n2_5_2_3.F cr_eomccsd_t_n2_5_2.F cr_eomccsd_t_n2_5_3_2.F cr_eomccsd_t_n2_5_3.F cr_eomccsd_t_n2_5_4_2.F cr_eomccsd_t_n2_5_4.F cr_eomccsd_t_n2_5_5_2.F cr_eomccsd_t_n2_5_5.F cr_eomccsd_t_n2_5_6.F cr_eomccsd_t_n2_5.F cr_eomccsd_t_n2_6_2.F cr_eomccsd_t_n2_6_3_2.F cr_eomccsd_t_n2_6_3.F cr_eomccsd_t_n2_6_4.F cr_eomccsd_t_n2_6.F cr_s_m3.F nr0.F q3rexpt2.F t2t12.F creomccsd_t_n2_mem.F cr_eomccsd_t.F q3rexpt2_6dts.F creomccsd_t_n2_mem_6dts.F cr_eomccsd_t_6dts.F cr_ccsd_t_N_6dts.F cr_ccsd_t_E_6dts.F cr_eomccsd_t_6dts_d4d5_parallel.F converting c1_c1.F to 32-bit integers for BLAS/LAPACK [1] 27250 converting c2_c2.F to 32-bit integers for BLAS/LAPACK [2] 27251 converting c2excit2.F to 32-bit integers for BLAS/LAPACK [3] 27252 converting cr_eomccsd_t_n2_1_1_2_2.F to 32-bit integers for BLAS/LAPACK [4] 27253 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_1_2.F to 32-bit integers for BLAS/LAPACK [1] 27254 converting cr_eomccsd_t_n2_1_1_3.F to 32-bit integers for BLAS/LAPACK [2] 27255 converting cr_eomccsd_t_n2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 27256 converting cr_eomccsd_t_n2_1_2.F to 32-bit integers for BLAS/LAPACK [4] 27257 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 27258 converting cr_eomccsd_t_n2_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 27259 converting cr_eomccsd_t_n2_1_3_2.F to 32-bit integers for BLAS/LAPACK [3] 27260 converting cr_eomccsd_t_n2_1_3_3.F to 32-bit integers for BLAS/LAPACK [4] 27261 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_3.F to 32-bit integers for BLAS/LAPACK [1] 27262 converting cr_eomccsd_t_n2_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 27263 converting cr_eomccsd_t_n2_1_4.F to 32-bit integers for BLAS/LAPACK [3] 27264 converting cr_eomccsd_t_n2_1_5_1.F to 32-bit integers for BLAS/LAPACK [4] 27265 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_5.F to 32-bit integers for BLAS/LAPACK [1] 27266 converting cr_eomccsd_t_n2_1_6_1.F to 32-bit integers for BLAS/LAPACK [2] 27267 converting cr_eomccsd_t_n2_1_6.F to 32-bit integers for BLAS/LAPACK [3] 27268 converting cr_eomccsd_t_n2_1_7_2.F to 32-bit integers for BLAS/LAPACK [4] 27269 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_7.F to 32-bit integers for BLAS/LAPACK [1] 27270 converting cr_eomccsd_t_n2_1_8_2.F to 32-bit integers for BLAS/LAPACK [2] 27271 converting cr_eomccsd_t_n2_1_8.F to 32-bit integers for BLAS/LAPACK [3] 27272 converting cr_eomccsd_t_n2_1_9.F to 32-bit integers for BLAS/LAPACK [4] 27273 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1.F to 32-bit integers for BLAS/LAPACK [1] 27274 converting cr_eomccsd_t_n2_2_1_2.F to 32-bit integers for BLAS/LAPACK [2] 27275 converting cr_eomccsd_t_n2_2_1_3.F to 32-bit integers for BLAS/LAPACK [3] 27276 converting cr_eomccsd_t_n2_2_1_4.F to 32-bit integers for BLAS/LAPACK [4] 27277 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_2_1.F to 32-bit integers for BLAS/LAPACK [1] 27278 converting cr_eomccsd_t_n2_2.F to 32-bit integers for BLAS/LAPACK [2] 27279 converting cr_eomccsd_t_n2_3_1.F to 32-bit integers for BLAS/LAPACK [3] 27280 converting cr_eomccsd_t_n2_3_2_1.F to 32-bit integers for BLAS/LAPACK [4] 27281 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_3_2.F to 32-bit integers for BLAS/LAPACK [1] 27282 converting cr_eomccsd_t_n2_3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 27283 converting cr_eomccsd_t_n2_3_3.F to 32-bit integers for BLAS/LAPACK [3] 27284 converting cr_eomccsd_t_n2_3_4.F to 32-bit integers for BLAS/LAPACK [4] 27285 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_3.F to 32-bit integers for BLAS/LAPACK [1] 27286 converting cr_eomccsd_t_n2_4_1_1.F to 32-bit integers for BLAS/LAPACK [2] 27287 converting cr_eomccsd_t_n2_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [3] 27288 converting cr_eomccsd_t_n2_4_1_2.F to 32-bit integers for BLAS/LAPACK [4] 27289 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_4_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 27290 converting cr_eomccsd_t_n2_4_1_3.F to 32-bit integers for BLAS/LAPACK [2] 27291 converting cr_eomccsd_t_n2_4_1_4.F to 32-bit integers for BLAS/LAPACK [3] 27292 converting cr_eomccsd_t_n2_4_1.F to 32-bit integers for BLAS/LAPACK [4] 27293 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_4_2_2_2.F to 32-bit integers for BLAS/LAPACK [1] 27294 converting cr_eomccsd_t_n2_4_2_2.F to 32-bit integers for BLAS/LAPACK [2] 27295 converting cr_eomccsd_t_n2_4_2_3.F to 32-bit integers for BLAS/LAPACK [3] 27296 converting cr_eomccsd_t_n2_4_2_4.F to 32-bit integers for BLAS/LAPACK [4] 27297 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_4_2.F to 32-bit integers for BLAS/LAPACK [1] 27298 converting cr_eomccsd_t_n2_4.F to 32-bit integers for BLAS/LAPACK [2] 27299 converting cr_eomccsd_t_n2_5_2_2_2.F to 32-bit integers for BLAS/LAPACK [3] 27300 converting cr_eomccsd_t_n2_5_2_2.F to 32-bit integers for BLAS/LAPACK [4] 27301 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_5_2_3.F to 32-bit integers for BLAS/LAPACK [1] 27302 converting cr_eomccsd_t_n2_5_2.F to 32-bit integers for BLAS/LAPACK [2] 27303 converting cr_eomccsd_t_n2_5_3_2.F to 32-bit integers for BLAS/LAPACK [3] 27304 converting cr_eomccsd_t_n2_5_3.F to 32-bit integers for BLAS/LAPACK [4] 27305 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_5_4_2.F to 32-bit integers for BLAS/LAPACK [1] 27306 converting cr_eomccsd_t_n2_5_4.F to 32-bit integers for BLAS/LAPACK [2] 27307 converting cr_eomccsd_t_n2_5_5_2.F to 32-bit integers for BLAS/LAPACK [3] 27308 converting cr_eomccsd_t_n2_5_5.F to 32-bit integers for BLAS/LAPACK [4] 27309 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_5_6.F to 32-bit integers for BLAS/LAPACK [1] 27310 converting cr_eomccsd_t_n2_5.F to 32-bit integers for BLAS/LAPACK [2] 27311 converting cr_eomccsd_t_n2_6_2.F to 32-bit integers for BLAS/LAPACK [3] 27312 converting cr_eomccsd_t_n2_6_3_2.F to 32-bit integers for BLAS/LAPACK [4] 27313 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_6_3.F to 32-bit integers for BLAS/LAPACK [1] 27314 converting cr_eomccsd_t_n2_6_4.F to 32-bit integers for BLAS/LAPACK [2] 27315 converting cr_eomccsd_t_n2_6.F to 32-bit integers for BLAS/LAPACK [3] 27316 converting cr_s_m3.F to 32-bit integers for BLAS/LAPACK [4] 27317 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting nr0.F to 32-bit integers for BLAS/LAPACK [1] 27318 converting q3rexpt2.F to 32-bit integers for BLAS/LAPACK [2] 27319 converting t2t12.F to 32-bit integers for BLAS/LAPACK [3] 27320 converting creomccsd_t_n2_mem.F to 32-bit integers for BLAS/LAPACK [4] 27321 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t.F to 32-bit integers for BLAS/LAPACK [1] 27322 converting q3rexpt2_6dts.F to 32-bit integers for BLAS/LAPACK [2] 27323 converting creomccsd_t_n2_mem_6dts.F to 32-bit integers for BLAS/LAPACK [3] 27324 converting cr_eomccsd_t_6dts.F to 32-bit integers for BLAS/LAPACK [4] 27325 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_ccsd_t_N_6dts.F to 32-bit integers for BLAS/LAPACK [1] 27326 converting cr_ccsd_t_E_6dts.F to 32-bit integers for BLAS/LAPACK [2] 27327 converting cr_eomccsd_t_6dts_d4d5_parallel.F to 32-bit integers for BLAS/LAPACK [3] 27328 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' Making 64_to_32 in lrh make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' Making 64_to_32 in emb make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 c2vt1_s.F c1v.F converting c2vt1_s.F to 32-bit integers for BLAS/LAPACK [1] 587 converting c1v.F to 32-bit integers for BLAS/LAPACK [2] 588 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' Making 64_to_32 in response make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ccsd_o1.F ccsd_o2.F eomccsd_o1.F eomccsd_o2.F ccsdt_o1.F ccsdt_o2.F ccsdt_o3.F ccsdtq_o1.F ccsdtq_o2.F ccsdtq_o3.F ccsdtq_o4.F converting ccsd_o1.F to 32-bit integers for BLAS/LAPACK [1] 3463 converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK [2] 3464 converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK [3] 3465 converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK [4] 3466 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_o1.F to 32-bit integers for BLAS/LAPACK [1] 3467 converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK [2] 3468 converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK [3] 3469 converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK [4] 3470 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdtq_o2.F to 32-bit integers for BLAS/LAPACK [1] 3471 converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK [2] 3472 converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK [3] 3473 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' Making 64_to_32 in ccsd_yr make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ccsd_y_o1.F ccsd_y_o2.F ccsd_yr1.F ccsd_yr2.F ccsd_y_tr1.F ccsd_y_tr2.F alpha_2_yr.F ccsd_lr_d1_hh.F ccsd_lr_d1_ph.F ccsd_lr_d1_hp.F ccsd_lr_d1_pp.F converting ccsd_y_o1.F to 32-bit integers for BLAS/LAPACK [1] 6514 converting ccsd_y_o2.F to 32-bit integers for BLAS/LAPACK [2] 6515 converting ccsd_yr1.F to 32-bit integers for BLAS/LAPACK [3] 6516 converting ccsd_yr2.F to 32-bit integers for BLAS/LAPACK [4] 6517 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_y_tr1.F to 32-bit integers for BLAS/LAPACK [1] 6518 converting ccsd_y_tr2.F to 32-bit integers for BLAS/LAPACK [2] 6519 converting alpha_2_yr.F to 32-bit integers for BLAS/LAPACK [3] 6520 converting ccsd_lr_d1_hh.F to 32-bit integers for BLAS/LAPACK [4] 6521 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_lr_d1_ph.F to 32-bit integers for BLAS/LAPACK [1] 6868 converting ccsd_lr_d1_hp.F to 32-bit integers for BLAS/LAPACK [2] 6869 converting ccsd_lr_d1_pp.F to 32-bit integers for BLAS/LAPACK [3] 6870 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' Making 64_to_32 in ccsd_alpha make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 alpha_1_1_1.F alpha_1_1_2.F alpha_1_1_3_1.F alpha_1_1_3_2.F alpha_1_1_3.F alpha_1_1_4_1.F alpha_1_1_4_2.F alpha_1_1_4.F alpha_1_1_5_1.F alpha_1_1_5.F alpha_1_1_6_1.F alpha_1_1_6.F alpha_1_1.F alpha_1_2_1.F alpha_1_2_2.F alpha_1_2.F alpha_1_3_1.F alpha_1_3.F alpha_1_4_1.F alpha_1_4.F alpha_1.F alpha_2_1_1.F alpha_2_1.F alpha_2_2_1_1.F alpha_2_2_1_2.F alpha_2_2_1.F alpha_2_2_2_1.F alpha_2_2_2_2.F alpha_2_2_2.F alpha_2_2_3_1.F alpha_2_2_3.F alpha_2_2_4_1.F alpha_2_2_4.F alpha_2_2.F alpha_2_3_1_1.F alpha_2_3_1_2.F alpha_2_3_1_3_1.F alpha_2_3_1_3.F alpha_2_3_1_4_1.F alpha_2_3_1_4.F alpha_2_3_1.F alpha_2_3_2_1.F alpha_2_3_2_2.F alpha_2_3_2_3_1.F alpha_2_3_2_3.F alpha_2_3_2_4_1.F alpha_2_3_2_4.F alpha_2_3_2.F alpha_2_3_3_1.F alpha_2_3_3.F alpha_2_3_4_1.F alpha_2_3_4.F alpha_2_3_5_1.F alpha_2_3_5.F alpha_2_3_6_1.F alpha_2_3_6.F alpha_2_3_7_1.F alpha_2_3_7.F alpha_2_3_8_1.F alpha_2_3_8.F alpha_2_3_9_1_1.F alpha_2_3_9_1.F alpha_2_3_9_2_1.F alpha_2_3_9_2.F alpha_2_3_9.F alpha_2_3.F alpha_2_4_1_1.F alpha_2_4_1.F alpha_2_4.F alpha_2_5_10_1_1.F alpha_2_5_10_1.F alpha_2_5_10_2_1.F alpha_2_5_10_2.F alpha_2_5_10_3_1.F alpha_2_5_10_3.F alpha_2_5_10_4_1.F alpha_2_5_10_4.F alpha_2_5_10_5_1.F alpha_2_5_10_5.F alpha_2_5_10_6_1.F alpha_2_5_10_6.F alpha_2_5_10_7_1.F alpha_2_5_10_7.F alpha_2_5_10_8_1_1.F alpha_2_5_10_8_1.F alpha_2_5_10_8.F alpha_2_5_10.F alpha_2_5_11_1_1.F alpha_2_5_11_1.F alpha_2_5_1_1.F alpha_2_5_11.F alpha_2_5_12_1_1.F alpha_2_5_12_1.F alpha_2_5_1_2.F alpha_2_5_12.F alpha_2_5_13_1_1.F alpha_2_5_1_3_1.F alpha_2_5_13_1.F alpha_2_5_13_2_1.F alpha_2_5_13_2.F alpha_2_5_1_3.F alpha_2_5_13.F alpha_2_5_14_1_1.F alpha_2_5_14_1.F alpha_2_5_14_2_1.F alpha_2_5_14_2.F alpha_2_5_14.F alpha_2_5_1.F alpha_2_5_2_1.F alpha_2_5_2.F alpha_2_5_3_1.F alpha_2_5_3_2.F alpha_2_5_3.F alpha_2_5_4_1.F alpha_2_5_4_2_1.F alpha_2_5_4_2.F alpha_2_5_4.F alpha_2_5_5_1.F alpha_2_5_5_2.F alpha_2_5_5.F alpha_2_5_6_1.F alpha_2_5_6.F alpha_2_5_7_1.F alpha_2_5_7.F alpha_2_5_8_1.F alpha_2_5_8.F alpha_2_5_9_1.F alpha_2_5_9.F alpha_2_5.F alpha_2_6_1_1.F alpha_2_6_1.F alpha_2_6.F alpha_2_7_1_1.F alpha_2_7_1_2_1.F alpha_2_7_1_2.F alpha_2_7_1.F alpha_2_7_2_1.F alpha_2_7_2.F alpha_2_7_3_1.F alpha_2_7_3.F alpha_2_7_4_1.F alpha_2_7_4_2_1.F alpha_2_7_4_2.F alpha_2_7_4.F alpha_2_7_5_1.F alpha_2_7_5.F alpha_2_7_6_1.F alpha_2_7_6.F alpha_2_7_7_1_1.F alpha_2_7_7_1.F alpha_2_7_7.F alpha_2_7.F alpha_2_8_1_1.F alpha_2_8_1.F alpha_2_8_2_1.F alpha_2_8_2.F alpha_2_8_3_1.F alpha_2_8_3.F alpha_2_8_4_1_1.F alpha_2_8_4_1_2_1.F alpha_2_8_4_1_2.F alpha_2_8_4_1.F alpha_2_8_4_2_1.F alpha_2_8_4_2.F alpha_2_8_4_3_1.F alpha_2_8_4_3_2_1.F alpha_2_8_4_3_2.F alpha_2_8_4_3.F alpha_2_8_4_4_1.F alpha_2_8_4_4.F alpha_2_8_4_5_1_1.F alpha_2_8_4_5_1.F alpha_2_8_4_5.F alpha_2_8_4.F alpha_2_8_5_1_1.F alpha_2_8_5_1.F alpha_2_8_5_2_1.F alpha_2_8_5_2.F alpha_2_8_5.F alpha_2_8_6_1_1.F alpha_2_8_6_1.F alpha_2_8_6_2_1.F alpha_2_8_6_2.F alpha_2_8_6_3_1.F alpha_2_8_6_3.F alpha_2_8_6_4_1.F alpha_2_8_6_4.F alpha_2_8_6.F alpha_2_8_7_1_1.F alpha_2_8_7_1.F alpha_2_8_7.F alpha_2_8_8_1_1.F alpha_2_8_8_1.F alpha_2_8_8.F alpha_2_8.F alpha_2.F dip_r_1_1.F dip_r_1_2.F dip_r_1.F dip_r_2.F dip_r.F converting alpha_1_1_1.F to 32-bit integers for BLAS/LAPACK [1] 9857 converting alpha_1_1_2.F to 32-bit integers for BLAS/LAPACK [2] 9858 converting alpha_1_1_3_1.F to 32-bit integers for BLAS/LAPACK [3] 9859 converting alpha_1_1_3_2.F to 32-bit integers for BLAS/LAPACK [4] 9860 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1_1_3.F to 32-bit integers for BLAS/LAPACK [1] 9861 converting alpha_1_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 9862 converting alpha_1_1_4_2.F to 32-bit integers for BLAS/LAPACK [3] 9863 converting alpha_1_1_4.F to 32-bit integers for BLAS/LAPACK [4] 9864 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1_1_5_1.F to 32-bit integers for BLAS/LAPACK [1] 9865 converting alpha_1_1_5.F to 32-bit integers for BLAS/LAPACK [2] 9866 converting alpha_1_1_6_1.F to 32-bit integers for BLAS/LAPACK [3] 9867 converting alpha_1_1_6.F to 32-bit integers for BLAS/LAPACK [4] 9868 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1_1.F to 32-bit integers for BLAS/LAPACK [1] 9869 converting alpha_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9870 converting alpha_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 9871 converting alpha_1_2.F to 32-bit integers for BLAS/LAPACK [4] 9872 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 9873 converting alpha_1_3.F to 32-bit integers for BLAS/LAPACK [2] 9874 converting alpha_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 9875 converting alpha_1_4.F to 32-bit integers for BLAS/LAPACK [4] 9876 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1.F to 32-bit integers for BLAS/LAPACK [1] 9877 converting alpha_2_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9878 converting alpha_2_1.F to 32-bit integers for BLAS/LAPACK [3] 9879 converting alpha_2_2_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9880 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_2_1_2.F to 32-bit integers for BLAS/LAPACK [1] 9881 converting alpha_2_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9882 converting alpha_2_2_2_1.F to 32-bit integers for BLAS/LAPACK [3] 9883 converting alpha_2_2_2_2.F to 32-bit integers for BLAS/LAPACK [4] 9884 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_2_2.F to 32-bit integers for BLAS/LAPACK [1] 9885 converting alpha_2_2_3_1.F to 32-bit integers for BLAS/LAPACK [2] 9886 converting alpha_2_2_3.F to 32-bit integers for BLAS/LAPACK [3] 9887 converting alpha_2_2_4_1.F to 32-bit integers for BLAS/LAPACK [4] 9888 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_2_4.F to 32-bit integers for BLAS/LAPACK [1] 9889 converting alpha_2_2.F to 32-bit integers for BLAS/LAPACK [2] 9890 converting alpha_2_3_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9891 converting alpha_2_3_1_2.F to 32-bit integers for BLAS/LAPACK [4] 9892 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 9893 converting alpha_2_3_1_3.F to 32-bit integers for BLAS/LAPACK [2] 9894 converting alpha_2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 9895 converting alpha_2_3_1_4.F to 32-bit integers for BLAS/LAPACK [4] 9896 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_1.F to 32-bit integers for BLAS/LAPACK [1] 9897 converting alpha_2_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9898 converting alpha_2_3_2_2.F to 32-bit integers for BLAS/LAPACK [3] 9899 converting alpha_2_3_2_3_1.F to 32-bit integers for BLAS/LAPACK [4] 9900 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_2_3.F to 32-bit integers for BLAS/LAPACK [1] 9901 converting alpha_2_3_2_4_1.F to 32-bit integers for BLAS/LAPACK [2] 9902 converting alpha_2_3_2_4.F to 32-bit integers for BLAS/LAPACK [3] 9903 converting alpha_2_3_2.F to 32-bit integers for BLAS/LAPACK [4] 9904 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 9905 converting alpha_2_3_3.F to 32-bit integers for BLAS/LAPACK [2] 9906 converting alpha_2_3_4_1.F to 32-bit integers for BLAS/LAPACK [3] 9907 converting alpha_2_3_4.F to 32-bit integers for BLAS/LAPACK [4] 9908 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_5_1.F to 32-bit integers for BLAS/LAPACK [1] 9909 converting alpha_2_3_5.F to 32-bit integers for BLAS/LAPACK [2] 9910 converting alpha_2_3_6_1.F to 32-bit integers for BLAS/LAPACK [3] 9911 converting alpha_2_3_6.F to 32-bit integers for BLAS/LAPACK [4] 9912 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_7_1.F to 32-bit integers for BLAS/LAPACK [1] 9913 converting alpha_2_3_7.F to 32-bit integers for BLAS/LAPACK [2] 9914 converting alpha_2_3_8_1.F to 32-bit integers for BLAS/LAPACK [3] 9915 converting alpha_2_3_8.F to 32-bit integers for BLAS/LAPACK [4] 9916 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK [1] 9917 converting alpha_2_3_9_1.F to 32-bit integers for BLAS/LAPACK [2] 9918 converting alpha_2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK [3] 9919 converting alpha_2_3_9_2.F to 32-bit integers for BLAS/LAPACK [4] 9920 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_9.F to 32-bit integers for BLAS/LAPACK [1] 9921 converting alpha_2_3.F to 32-bit integers for BLAS/LAPACK [2] 9922 converting alpha_2_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9923 converting alpha_2_4_1.F to 32-bit integers for BLAS/LAPACK [4] 9924 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_4.F to 32-bit integers for BLAS/LAPACK [1] 9925 converting alpha_2_5_10_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9926 converting alpha_2_5_10_1.F to 32-bit integers for BLAS/LAPACK [3] 9927 converting alpha_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK [4] 9928 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_10_2.F to 32-bit integers for BLAS/LAPACK [1] 9929 converting alpha_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK [2] 9930 converting alpha_2_5_10_3.F to 32-bit integers for BLAS/LAPACK [3] 9931 converting alpha_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK [4] 9932 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_10_4.F to 32-bit integers for BLAS/LAPACK [1] 9933 converting alpha_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK [2] 9934 converting alpha_2_5_10_5.F to 32-bit integers for BLAS/LAPACK [3] 9935 converting alpha_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK [4] 9936 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_10_6.F to 32-bit integers for BLAS/LAPACK [1] 9937 converting alpha_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK [2] 9938 converting alpha_2_5_10_7.F to 32-bit integers for BLAS/LAPACK [3] 9939 converting alpha_2_5_10_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9940 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_10_8_1.F to 32-bit integers for BLAS/LAPACK [1] 9941 converting alpha_2_5_10_8.F to 32-bit integers for BLAS/LAPACK [2] 9942 converting alpha_2_5_10.F to 32-bit integers for BLAS/LAPACK [3] 9943 converting alpha_2_5_11_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9944 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_11_1.F to 32-bit integers for BLAS/LAPACK [1] 9945 converting alpha_2_5_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9946 converting alpha_2_5_11.F to 32-bit integers for BLAS/LAPACK [3] 9947 converting alpha_2_5_12_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9948 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_12_1.F to 32-bit integers for BLAS/LAPACK [1] 9949 converting alpha_2_5_1_2.F to 32-bit integers for BLAS/LAPACK [2] 9950 converting alpha_2_5_12.F to 32-bit integers for BLAS/LAPACK [3] 9951 converting alpha_2_5_13_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9952 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 9953 converting alpha_2_5_13_1.F to 32-bit integers for BLAS/LAPACK [2] 9954 converting alpha_2_5_13_2_1.F to 32-bit integers for BLAS/LAPACK [3] 9955 converting alpha_2_5_13_2.F to 32-bit integers for BLAS/LAPACK [4] 9956 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_1_3.F to 32-bit integers for BLAS/LAPACK [1] 9957 converting alpha_2_5_13.F to 32-bit integers for BLAS/LAPACK [2] 9958 converting alpha_2_5_14_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9959 converting alpha_2_5_14_1.F to 32-bit integers for BLAS/LAPACK [4] 9960 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_14_2_1.F to 32-bit integers for BLAS/LAPACK [1] 9961 converting alpha_2_5_14_2.F to 32-bit integers for BLAS/LAPACK [2] 9962 converting alpha_2_5_14.F to 32-bit integers for BLAS/LAPACK [3] 9963 converting alpha_2_5_1.F to 32-bit integers for BLAS/LAPACK [4] 9964 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_2_1.F to 32-bit integers for BLAS/LAPACK [1] 9965 converting alpha_2_5_2.F to 32-bit integers for BLAS/LAPACK [2] 9966 converting alpha_2_5_3_1.F to 32-bit integers for BLAS/LAPACK [3] 9967 converting alpha_2_5_3_2.F to 32-bit integers for BLAS/LAPACK [4] 9968 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_3.F to 32-bit integers for BLAS/LAPACK [1] 9969 converting alpha_2_5_4_1.F to 32-bit integers for BLAS/LAPACK [2] 9970 converting alpha_2_5_4_2_1.F to 32-bit integers for BLAS/LAPACK [3] 9971 converting alpha_2_5_4_2.F to 32-bit integers for BLAS/LAPACK [4] 9972 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_4.F to 32-bit integers for BLAS/LAPACK [1] 9973 converting alpha_2_5_5_1.F to 32-bit integers for BLAS/LAPACK [2] 9974 converting alpha_2_5_5_2.F to 32-bit integers for BLAS/LAPACK [3] 9975 converting alpha_2_5_5.F to 32-bit integers for BLAS/LAPACK [4] 9976 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_6_1.F to 32-bit integers for BLAS/LAPACK [1] 9977 converting alpha_2_5_6.F to 32-bit integers for BLAS/LAPACK [2] 9978 converting alpha_2_5_7_1.F to 32-bit integers for BLAS/LAPACK [3] 9979 converting alpha_2_5_7.F to 32-bit integers for BLAS/LAPACK [4] 9980 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_8_1.F to 32-bit integers for BLAS/LAPACK [1] 9981 converting alpha_2_5_8.F to 32-bit integers for BLAS/LAPACK [2] 9982 converting alpha_2_5_9_1.F to 32-bit integers for BLAS/LAPACK [3] 9983 converting alpha_2_5_9.F to 32-bit integers for BLAS/LAPACK [4] 9984 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5.F to 32-bit integers for BLAS/LAPACK [1] 9985 converting alpha_2_6_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9986 converting alpha_2_6_1.F to 32-bit integers for BLAS/LAPACK [3] 9987 converting alpha_2_6.F to 32-bit integers for BLAS/LAPACK [4] 9988 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_1_1.F to 32-bit integers for BLAS/LAPACK [1] 9989 converting alpha_2_7_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9990 converting alpha_2_7_1_2.F to 32-bit integers for BLAS/LAPACK [3] 9991 converting alpha_2_7_1.F to 32-bit integers for BLAS/LAPACK [4] 9992 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_2_1.F to 32-bit integers for BLAS/LAPACK [1] 9993 converting alpha_2_7_2.F to 32-bit integers for BLAS/LAPACK [2] 9994 converting alpha_2_7_3_1.F to 32-bit integers for BLAS/LAPACK [3] 9995 converting alpha_2_7_3.F to 32-bit integers for BLAS/LAPACK [4] 9996 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_4_1.F to 32-bit integers for BLAS/LAPACK [1] 9997 converting alpha_2_7_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9998 converting alpha_2_7_4_2.F to 32-bit integers for BLAS/LAPACK [3] 9999 converting alpha_2_7_4.F to 32-bit integers for BLAS/LAPACK [4] 10000 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_5_1.F to 32-bit integers for BLAS/LAPACK [1] 10001 converting alpha_2_7_5.F to 32-bit integers for BLAS/LAPACK [2] 10002 converting alpha_2_7_6_1.F to 32-bit integers for BLAS/LAPACK [3] 10003 converting alpha_2_7_6.F to 32-bit integers for BLAS/LAPACK [4] 10004 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_7_1_1.F to 32-bit integers for BLAS/LAPACK [1] 10005 converting alpha_2_7_7_1.F to 32-bit integers for BLAS/LAPACK [2] 10006 converting alpha_2_7_7.F to 32-bit integers for BLAS/LAPACK [3] 10007 converting alpha_2_7.F to 32-bit integers for BLAS/LAPACK [4] 10008 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_1_1.F to 32-bit integers for BLAS/LAPACK [1] 10009 converting alpha_2_8_1.F to 32-bit integers for BLAS/LAPACK [2] 10010 converting alpha_2_8_2_1.F to 32-bit integers for BLAS/LAPACK [3] 10011 converting alpha_2_8_2.F to 32-bit integers for BLAS/LAPACK [4] 10012 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_3_1.F to 32-bit integers for BLAS/LAPACK [1] 10013 converting alpha_2_8_3.F to 32-bit integers for BLAS/LAPACK [2] 10014 converting alpha_2_8_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 10015 converting alpha_2_8_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 10016 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_4_1_2.F to 32-bit integers for BLAS/LAPACK [1] 10017 converting alpha_2_8_4_1.F to 32-bit integers for BLAS/LAPACK [2] 10018 converting alpha_2_8_4_2_1.F to 32-bit integers for BLAS/LAPACK [3] 10019 converting alpha_2_8_4_2.F to 32-bit integers for BLAS/LAPACK [4] 10020 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK [1] 10021 converting alpha_2_8_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 10022 converting alpha_2_8_4_3_2.F to 32-bit integers for BLAS/LAPACK [3] 10023 converting alpha_2_8_4_3.F to 32-bit integers for BLAS/LAPACK [4] 10024 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK [1] 10025 converting alpha_2_8_4_4.F to 32-bit integers for BLAS/LAPACK [2] 10026 converting alpha_2_8_4_5_1_1.F to 32-bit integers for BLAS/LAPACK [3] 10027 converting alpha_2_8_4_5_1.F to 32-bit integers for BLAS/LAPACK [4] 10028 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_4_5.F to 32-bit integers for BLAS/LAPACK [1] 10029 converting alpha_2_8_4.F to 32-bit integers for BLAS/LAPACK [2] 10030 converting alpha_2_8_5_1_1.F to 32-bit integers for BLAS/LAPACK [3] 10031 converting alpha_2_8_5_1.F to 32-bit integers for BLAS/LAPACK [4] 10032 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_5_2_1.F to 32-bit integers for BLAS/LAPACK [1] 10033 converting alpha_2_8_5_2.F to 32-bit integers for BLAS/LAPACK [2] 10034 converting alpha_2_8_5.F to 32-bit integers for BLAS/LAPACK [3] 10035 converting alpha_2_8_6_1_1.F to 32-bit integers for BLAS/LAPACK [4] 10036 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_6_1.F to 32-bit integers for BLAS/LAPACK [1] 10037 converting alpha_2_8_6_2_1.F to 32-bit integers for BLAS/LAPACK [2] 10038 converting alpha_2_8_6_2.F to 32-bit integers for BLAS/LAPACK [3] 10039 converting alpha_2_8_6_3_1.F to 32-bit integers for BLAS/LAPACK [4] 10040 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_6_3.F to 32-bit integers for BLAS/LAPACK [1] 10041 converting alpha_2_8_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 10042 converting alpha_2_8_6_4.F to 32-bit integers for BLAS/LAPACK [3] 10043 converting alpha_2_8_6.F to 32-bit integers for BLAS/LAPACK [4] 10044 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_7_1_1.F to 32-bit integers for BLAS/LAPACK [1] 10045 converting alpha_2_8_7_1.F to 32-bit integers for BLAS/LAPACK [2] 10046 converting alpha_2_8_7.F to 32-bit integers for BLAS/LAPACK [3] 10047 converting alpha_2_8_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 10048 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_8_1.F to 32-bit integers for BLAS/LAPACK [1] 10049 converting alpha_2_8_8.F to 32-bit integers for BLAS/LAPACK [2] 10050 converting alpha_2_8.F to 32-bit integers for BLAS/LAPACK [3] 10051 converting alpha_2.F to 32-bit integers for BLAS/LAPACK [4] 10052 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dip_r_1_1.F to 32-bit integers for BLAS/LAPACK [1] 10053 converting dip_r_1_2.F to 32-bit integers for BLAS/LAPACK [2] 10054 converting dip_r_1.F to 32-bit integers for BLAS/LAPACK [3] 10055 converting dip_r_2.F to 32-bit integers for BLAS/LAPACK [4] 10056 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dip_r.F to 32-bit integers for BLAS/LAPACK [1] 10057 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' Making 64_to_32 in ccsd_beta make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 beta_1_all.F beta_2_all.F beta_3_all.F beta_4_all.F beta_1_3_3_1_1.F beta_1_4_1_2_1.F beta_1_3_1_4_1.F beta_3_7_5_1_1.F beta_3_1_3_1.F beta_3_2_1_2.F beta_1_4_2_2.F beta_1_3_4_1.F beta_1_4_1_4.F beta_1_3_1_7.F beta_3_7_2_1.F beta_3_2_9_2.F beta_3_3_1.F beta_4_1_2.F beta_3_2_3.F beta_3_4_11_1.F beta_3_4_10_3.F beta_1_4_5.F beta_1_3_7.F beta_1_4_1_1_2_1.F beta_4_3.F beta_3_5.F beta_1_4_2_1_1.F beta_1_4_6_3_1.F beta_3_7_4_3_1.F beta_3_2_2_1.F beta_1_4_3_1.F beta_3_2_1_3.F beta_3_4_10_1_1.F beta_1_4_1_5.F beta_1_3_1_8.F beta_3_6_4_1.F beta_3_4_7_1.F beta_4_2_1.F beta_3_2_4.F beta_1_4_6.F beta_3_4_10_4.F beta_1_3_8.F beta_4_4.F beta_3_6.F beta_3_7_4_5_1_1.F beta_1_1_1_1_1.F beta_1_4_1_3_1.F beta_1_3_1_5_1.F beta_3_6_1_2_1.F beta_3_6_7_1_1.F beta_3_7_5_2_1.F beta_3_7_4_3_2.F beta_3_3_1_1.F beta_3_2_2_2.F beta_3_1_4_1.F beta_3_2_1_4.F beta_1_3_5_1.F beta_1_4_3_2.F beta_3_7_3_1.F beta_3_6_4_2.F beta_3_4_1.F beta_3_4_12_1.F beta_3_2_5.F beta_3_4_10_5.F beta_1_4_6_1_1_1.F beta_3_7.F beta_1_3_4_1_1.F beta_1_4_2_2_1.F beta_1_4_1_3_2.F beta_3_4_4_2_1.F beta_3_7_6_1_1.F beta_3_7_4_4_1.F beta_3_2_3_1.F beta_3_4_10_2_1.F beta_3_2_2_3.F beta_1_4_4_1.F beta_1_4_3_3.F beta_3_6_5_1.F beta_3_4_8_1.F beta_4_3_1.F beta_3_4_2.F beta_3_2_6.F beta_3_4_10_6.F beta_1_1_1_2_1.F beta_1_4_3_1_1.F beta_3_2_1_3_1.F beta_1_4_1_4_1.F beta_1_3_1_6_1.F beta_1_1_1_1.F beta_3_4_11_1_1.F beta_1_3_6_1.F beta_3_2_2_4.F beta_1_4_3_4.F beta_3_7_4_1.F beta_4_3_2.F beta_3_5_1.F beta_3_4_3.F beta_3_4_13_1.F beta_3_2_7.F beta_3_4_10_7.F beta_1_1_2_1_1.F beta_3_7_6_2_1.F beta_3_7_4_5_1.F beta_1_1_1_2.F beta_3_4_1_1.F beta_3_2_4_1.F beta_1_4_5_1.F beta_3_4_10_3_1.F beta_1_3_6_2.F beta_3_7_4_2.F beta_3_6_6_1.F beta_3_4_9_1.F beta_4_4_1.F beta_4_3_3.F beta_3_4_4.F beta_3_4_13_2.F beta_3_2_8.F beta_3_4_10_8.F beta_1_4_6_2_1_1.F beta_1_3_8_1_1_1.F beta_1_2_1_1_1.F beta_1_4_3_2_1.F beta_1_3_5_1_1.F beta_3_2_1_4_1.F beta_1_4_1_5_1.F beta_1_3_1_7_1.F beta_3_7_7_1_1.F beta_1_1_2_1.F beta_3_4_1_2.F beta_1_3_7_1.F beta_3_7_5_1.F beta_3_7_4_3.F beta_1_1_1.F beta_3_6_1.F beta_4_3_4.F beta_3_4_14_1.F beta_3_4_5.F beta_3_2_9.F beta_1_4_1_3_2_1.F beta_1_1_2_2_1.F beta_1_4_4_1_1.F beta_3_2_2_3_1.F beta_3_7_6_3_1.F beta_1_2_1_1.F beta_1_1_2_2.F beta_3_4_2_1.F beta_3_2_5_1.F beta_3_4_12_1_1.F beta_3_4_1_3.F beta_1_4_6_1.F beta_3_4_10_4_1.F beta_1_3_7_2.F beta_3_7_5_2.F beta_3_6_7_1.F beta_3_7_4_4.F beta_1_1_2.F beta_3_6_2.F beta_4_3_5.F beta_3_4_14_2.F beta_3_4_6.F beta_3_7_4_1_2_1.F beta_1_1_3_1_1.F beta_1_4_3_3_1.F beta_1_3_1_8_1.F beta_3_2_9_1_1.F beta_2_1_1_1.F beta_1_1_3_1.F beta_4_3_2_1.F beta_3_5_1_1.F beta_1_4_6_2.F beta_1_3_8_1.F beta_3_7_6_1.F beta_3_7_4_5.F beta_1_2_1.F beta_1_1_3.F beta_3_7_1.F beta_3_6_3.F beta_3_4_7.F beta_1_1.F beta_1_4_6_3_1_1.F beta_1_2_2_1_1.F beta_1_3_6_1_1.F beta_3_2_2_4_1.F beta_3_4_10_8_1_1.F beta_3_7_8_1_1.F beta_3_7_6_4_1.F beta_2_1_1_2.F beta_1_2_2_1.F beta_1_1_3_2.F beta_4_3_2_2.F beta_3_4_3_1.F beta_3_2_6_1.F beta_3_4_10_5_1.F beta_1_4_6_3.F beta_3_7_6_2.F beta_2_1_1.F beta_1_2_2.F beta_3_7_2.F beta_3_6_4.F beta_3_4_8.F beta_1_2.F beta_1_3_1_1_1.F beta_1_1_3_2_1.F beta_1_4_5_1_1.F beta_1_4_3_4_1.F beta_3_2_9_2_1.F beta_2_1_2_1.F beta_1_3_1_1.F beta_4_3_3_1.F beta_3_4_3_2.F beta_3_4_13_1_1.F beta_3_7_7_1.F beta_3_7_6_3.F beta_1_3_1.F beta_2_1_2.F beta_1_2_3.F beta_3_7_3.F beta_3_6_5.F beta_3_4_9.F beta_2_1.F beta_1_3.F beta_1_4_1_5_1_1.F beta_1_3_6_2_1.F beta_3_6_4_2_1.F beta_2_1_2_2.F beta_1_3_1_2.F beta_1_2_3_1.F beta_3_6_1_1.F beta_3_4_4_1.F beta_4_3_3_2.F beta_3_2_7_1.F beta_3_4_10_6_1.F beta_3_7_6_4.F beta_2_1_3.F beta_1_3_2.F beta_3_7_4.F beta_3_6_6.F beta_1_4.F beta_3_4_10.F beta_1_3_1_2_1.F beta_1_2_3_1_1.F beta_3_4_1_3_1.F beta_1_3_7_1_1.F beta_3_1_1_1.F beta_1_3_2_1.F beta_2_1_3_1.F beta_1_3_1_3.F beta_4_3_4_1.F beta_3_6_1_2.F beta_3_4_13_2_1.F beta_3_4_4_2.F beta_3_7_8_1.F beta_3_1_1.F beta_1_4_1.F beta_1_3_3.F beta_2_1_4.F beta_3_7_5.F beta_3_6_7.F beta_3_1.F beta_3_4_11.F beta_1_3_2_1_1.F beta_1_4_6_1_1.F beta_3_7_4_1_1.F beta_1_4_1_1.F beta_3_1_1_2.F beta_1_3_1_4.F beta_3_6_2_1.F beta_3_4_14_1_1.F beta_3_4_5_1.F beta_3_2_8_1.F beta_3_4_10_7_1.F beta_3_1_2.F beta_1_4_2.F beta_1_3_4.F beta_3_7_6.F beta_3_2.F beta_3_4_12.F beta_3_7_4_3_2_1.F beta_1_4_1_1_1.F beta_1_3_1_3_1.F beta_1_3_7_2_1.F beta_3_7_4_1_2.F beta_3_1_2_1.F beta_1_4_1_2.F beta_1_3_3_1.F beta_2_1_4_1.F beta_1_3_1_5.F beta_3_7_1_1.F beta_4_3_5_1.F beta_3_4_5_2.F beta_3_2_1.F beta_3_1_3.F beta_1_4_3.F beta_3_4_10_1.F beta_1_3_5.F beta_3_7_7.F beta_4_1.F beta_3_3.F beta_3_4_13.F beta_1_3_1_8_1_1.F beta_1_4_1_1_2.F beta_1_4_6_2_1.F beta_1_3_8_1_1.F beta_3_7_4_2_1.F beta_3_2_1_1.F beta_1_4_2_1.F beta_3_1_2_2.F beta_1_4_1_3.F beta_1_3_1_6.F beta_3_6_3_1.F beta_3_4_14_2_1.F beta_3_4_6_1.F beta_3_2_9_1.F beta_3_4_10_8_1.F beta_4_1_1.F beta_3_2_2.F beta_3_1_4.F beta_1_4_4.F beta_3_4_10_2.F beta_1_3_6.F beta_3_7_8.F beta_4_2.F beta_3_4.F beta_3_4_14.F converting beta_1_all.F to 32-bit integers for BLAS/LAPACK [1] 12928 converting beta_2_all.F to 32-bit integers for BLAS/LAPACK [2] 12929 converting beta_3_all.F to 32-bit integers for BLAS/LAPACK [3] 12930 converting beta_4_all.F to 32-bit integers for BLAS/LAPACK [4] 12931 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_3_1_1.F to 32-bit integers for BLAS/LAPACK [1] 12933 converting beta_1_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 12934 converting beta_1_3_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 12935 converting beta_3_7_5_1_1.F to 32-bit integers for BLAS/LAPACK [4] 12936 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 12937 converting beta_3_2_1_2.F to 32-bit integers for BLAS/LAPACK [2] 12938 converting beta_1_4_2_2.F to 32-bit integers for BLAS/LAPACK [3] 12939 converting beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK [4] 12940 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_1_4.F to 32-bit integers for BLAS/LAPACK [1] 12941 converting beta_1_3_1_7.F to 32-bit integers for BLAS/LAPACK [2] 12942 converting beta_3_7_2_1.F to 32-bit integers for BLAS/LAPACK [3] 12943 converting beta_3_2_9_2.F to 32-bit integers for BLAS/LAPACK [4] 12944 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 12945 converting beta_4_1_2.F to 32-bit integers for BLAS/LAPACK [2] 12946 converting beta_3_2_3.F to 32-bit integers for BLAS/LAPACK [3] 12947 converting beta_3_4_11_1.F to 32-bit integers for BLAS/LAPACK [4] 12948 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_10_3.F to 32-bit integers for BLAS/LAPACK [1] 12949 converting beta_1_4_5.F to 32-bit integers for BLAS/LAPACK [2] 12950 converting beta_1_3_7.F to 32-bit integers for BLAS/LAPACK [3] 12951 converting beta_1_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 12952 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_3.F to 32-bit integers for BLAS/LAPACK [1] 12953 converting beta_3_5.F to 32-bit integers for BLAS/LAPACK [2] 12954 converting beta_1_4_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 12955 converting beta_1_4_6_3_1.F to 32-bit integers for BLAS/LAPACK [4] 12956 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_4_3_1.F to 32-bit integers for BLAS/LAPACK [1] 12957 converting beta_3_2_2_1.F to 32-bit integers for BLAS/LAPACK [2] 12958 converting beta_1_4_3_1.F to 32-bit integers for BLAS/LAPACK [3] 12959 converting beta_3_2_1_3.F to 32-bit integers for BLAS/LAPACK [4] 12960 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_10_1_1.F to 32-bit integers for BLAS/LAPACK [1] 12961 converting beta_1_4_1_5.F to 32-bit integers for BLAS/LAPACK [2] 12962 converting beta_1_3_1_8.F to 32-bit integers for BLAS/LAPACK [3] 12963 converting beta_3_6_4_1.F to 32-bit integers for BLAS/LAPACK [4] 12964 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_7_1.F to 32-bit integers for BLAS/LAPACK [1] 12965 converting beta_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 12966 converting beta_3_2_4.F to 32-bit integers for BLAS/LAPACK [3] 12967 converting beta_1_4_6.F to 32-bit integers for BLAS/LAPACK [4] 12968 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_10_4.F to 32-bit integers for BLAS/LAPACK [1] 12973 converting beta_1_3_8.F to 32-bit integers for BLAS/LAPACK [2] 12974 converting beta_4_4.F to 32-bit integers for BLAS/LAPACK [3] 12975 converting beta_3_6.F to 32-bit integers for BLAS/LAPACK [4] 12976 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_4_5_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13076 converting beta_1_1_1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 13077 converting beta_1_4_1_3_1.F to 32-bit integers for BLAS/LAPACK [3] 13078 converting beta_1_3_1_5_1.F to 32-bit integers for BLAS/LAPACK [4] 13079 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_1_2_1.F to 32-bit integers for BLAS/LAPACK [1] 13096 converting beta_3_6_7_1_1.F to 32-bit integers for BLAS/LAPACK [2] 13097 converting beta_3_7_5_2_1.F to 32-bit integers for BLAS/LAPACK [3] 13098 converting beta_3_7_4_3_2.F to 32-bit integers for BLAS/LAPACK [4] 13099 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_3_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13106 converting beta_3_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 13107 converting beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 13108 converting beta_3_2_1_4.F to 32-bit integers for BLAS/LAPACK [4] 13109 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK [1] 13130 converting beta_1_4_3_2.F to 32-bit integers for BLAS/LAPACK [2] 13131 converting beta_3_7_3_1.F to 32-bit integers for BLAS/LAPACK [3] 13132 converting beta_3_6_4_2.F to 32-bit integers for BLAS/LAPACK [4] 13133 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_1.F to 32-bit integers for BLAS/LAPACK [1] 13146 converting beta_3_4_12_1.F to 32-bit integers for BLAS/LAPACK [2] 13147 converting beta_3_2_5.F to 32-bit integers for BLAS/LAPACK [3] 13148 converting beta_3_4_10_5.F to 32-bit integers for BLAS/LAPACK [4] 13149 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_6_1_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13167 converting beta_3_7.F to 32-bit integers for BLAS/LAPACK [2] 13168 converting beta_1_3_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 13169 converting beta_1_4_2_2_1.F to 32-bit integers for BLAS/LAPACK [4] 13170 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_1_3_2.F to 32-bit integers for BLAS/LAPACK [1] 13175 converting beta_3_4_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 13176 converting beta_3_7_6_1_1.F to 32-bit integers for BLAS/LAPACK [3] 13177 converting beta_3_7_4_4_1.F to 32-bit integers for BLAS/LAPACK [4] 13178 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_3_1.F to 32-bit integers for BLAS/LAPACK [1] 13253 converting beta_3_4_10_2_1.F to 32-bit integers for BLAS/LAPACK [2] 13255 converting beta_3_2_2_3.F to 32-bit integers for BLAS/LAPACK [3] 13258 converting beta_1_4_4_1.F to 32-bit integers for BLAS/LAPACK [4] 13259 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3_3.F to 32-bit integers for BLAS/LAPACK [1] 13307 converting beta_3_6_5_1.F to 32-bit integers for BLAS/LAPACK [2] 13308 converting beta_3_4_8_1.F to 32-bit integers for BLAS/LAPACK [3] 13309 converting beta_4_3_1.F to 32-bit integers for BLAS/LAPACK [4] 13310 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_2.F to 32-bit integers for BLAS/LAPACK [1] 13319 converting beta_3_2_6.F to 32-bit integers for BLAS/LAPACK [2] 13320 converting beta_3_4_10_6.F to 32-bit integers for BLAS/LAPACK [3] 13321 converting beta_1_1_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 13322 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13330 converting beta_3_2_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 13331 converting beta_1_4_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 13332 converting beta_1_3_1_6_1.F to 32-bit integers for BLAS/LAPACK [4] 13333 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13342 converting beta_3_4_11_1_1.F to 32-bit integers for BLAS/LAPACK [2] 13343 converting beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK [3] 13344 converting beta_3_2_2_4.F to 32-bit integers for BLAS/LAPACK [4] 13345 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3_4.F to 32-bit integers for BLAS/LAPACK [1] 13395 converting beta_3_7_4_1.F to 32-bit integers for BLAS/LAPACK [2] 13399 converting beta_4_3_2.F to 32-bit integers for BLAS/LAPACK [3] 13400 converting beta_3_5_1.F to 32-bit integers for BLAS/LAPACK [4] 13401 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_3.F to 32-bit integers for BLAS/LAPACK [1] 13450 converting beta_3_4_13_1.F to 32-bit integers for BLAS/LAPACK [2] 13451 converting beta_3_2_7.F to 32-bit integers for BLAS/LAPACK [3] 13452 converting beta_3_4_10_7.F to 32-bit integers for BLAS/LAPACK [4] 13453 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_2_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13469 converting beta_3_7_6_2_1.F to 32-bit integers for BLAS/LAPACK [2] 13470 converting beta_3_7_4_5_1.F to 32-bit integers for BLAS/LAPACK [3] 13471 converting beta_1_1_1_2.F to 32-bit integers for BLAS/LAPACK [4] 13472 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13487 converting beta_3_2_4_1.F to 32-bit integers for BLAS/LAPACK [2] 13488 converting beta_1_4_5_1.F to 32-bit integers for BLAS/LAPACK [3] 13489 converting beta_3_4_10_3_1.F to 32-bit integers for BLAS/LAPACK [4] 13490 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_6_2.F to 32-bit integers for BLAS/LAPACK [1] 13507 converting beta_3_7_4_2.F to 32-bit integers for BLAS/LAPACK [2] 13508 converting beta_3_6_6_1.F to 32-bit integers for BLAS/LAPACK [3] 13509 converting beta_3_4_9_1.F to 32-bit integers for BLAS/LAPACK [4] 13510 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_4_1.F to 32-bit integers for BLAS/LAPACK [1] 13532 converting beta_4_3_3.F to 32-bit integers for BLAS/LAPACK [2] 13533 converting beta_3_4_4.F to 32-bit integers for BLAS/LAPACK [3] 13534 converting beta_3_4_13_2.F to 32-bit integers for BLAS/LAPACK [4] 13535 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_8.F to 32-bit integers for BLAS/LAPACK [1] 13540 converting beta_3_4_10_8.F to 32-bit integers for BLAS/LAPACK [2] 13541 converting beta_1_4_6_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 13542 converting beta_1_3_8_1_1_1.F to 32-bit integers for BLAS/LAPACK [4] 13543 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2_1_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13605 converting beta_1_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 13606 converting beta_1_3_5_1_1.F to 32-bit integers for BLAS/LAPACK [3] 13608 converting beta_3_2_1_4_1.F to 32-bit integers for BLAS/LAPACK [4] 13609 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_1_5_1.F to 32-bit integers for BLAS/LAPACK [1] 13639 converting beta_1_3_1_7_1.F to 32-bit integers for BLAS/LAPACK [2] 13640 converting beta_3_7_7_1_1.F to 32-bit integers for BLAS/LAPACK [3] 13641 converting beta_1_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 13642 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_1_2.F to 32-bit integers for BLAS/LAPACK [1] 13645 converting beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK [2] 13646 converting beta_3_7_5_1.F to 32-bit integers for BLAS/LAPACK [3] 13647 converting beta_3_7_4_3.F to 32-bit integers for BLAS/LAPACK [4] 13648 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13656 converting beta_3_6_1.F to 32-bit integers for BLAS/LAPACK [2] 13657 converting beta_4_3_4.F to 32-bit integers for BLAS/LAPACK [3] 13658 converting beta_3_4_14_1.F to 32-bit integers for BLAS/LAPACK [4] 13659 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_5.F to 32-bit integers for BLAS/LAPACK [1] 13746 converting beta_3_2_9.F to 32-bit integers for BLAS/LAPACK [2] 13747 converting beta_1_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [3] 13748 converting beta_1_1_2_2_1.F to 32-bit integers for BLAS/LAPACK [4] 13749 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_4_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13775 converting beta_3_2_2_3_1.F to 32-bit integers for BLAS/LAPACK [2] 13776 converting beta_3_7_6_3_1.F to 32-bit integers for BLAS/LAPACK [3] 13777 converting beta_1_2_1_1.F to 32-bit integers for BLAS/LAPACK [4] 13778 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_2_2.F to 32-bit integers for BLAS/LAPACK [1] 13785 converting beta_3_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 13786 converting beta_3_2_5_1.F to 32-bit integers for BLAS/LAPACK [3] 13788 converting beta_3_4_12_1_1.F to 32-bit integers for BLAS/LAPACK [4] 13790 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_1_3.F to 32-bit integers for BLAS/LAPACK [1] 13811 converting beta_1_4_6_1.F to 32-bit integers for BLAS/LAPACK [2] 13812 converting beta_3_4_10_4_1.F to 32-bit integers for BLAS/LAPACK [3] 13813 converting beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK [4] 13814 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_5_2.F to 32-bit integers for BLAS/LAPACK [1] 13834 converting beta_3_6_7_1.F to 32-bit integers for BLAS/LAPACK [2] 13835 converting beta_3_7_4_4.F to 32-bit integers for BLAS/LAPACK [3] 13836 converting beta_1_1_2.F to 32-bit integers for BLAS/LAPACK [4] 13837 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_2.F to 32-bit integers for BLAS/LAPACK [1] 13848 converting beta_4_3_5.F to 32-bit integers for BLAS/LAPACK [2] 13849 converting beta_3_4_14_2.F to 32-bit integers for BLAS/LAPACK [3] 13850 converting beta_3_4_6.F to 32-bit integers for BLAS/LAPACK [4] 13851 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [1] 13889 converting beta_1_1_3_1_1.F to 32-bit integers for BLAS/LAPACK [2] 13890 converting beta_1_4_3_3_1.F to 32-bit integers for BLAS/LAPACK [3] 13891 converting beta_1_3_1_8_1.F to 32-bit integers for BLAS/LAPACK [4] 13892 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_9_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13940 converting beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 13941 converting beta_1_1_3_1.F to 32-bit integers for BLAS/LAPACK [3] 13942 converting beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [4] 13943 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_5_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13954 converting beta_1_4_6_2.F to 32-bit integers for BLAS/LAPACK [2] 13955 converting beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK [3] 13956 converting beta_3_7_6_1.F to 32-bit integers for BLAS/LAPACK [4] 13957 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_4_5.F to 32-bit integers for BLAS/LAPACK [1] 13963 converting beta_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 13964 converting beta_1_1_3.F to 32-bit integers for BLAS/LAPACK [3] 13965 converting beta_3_7_1.F to 32-bit integers for BLAS/LAPACK [4] 13966 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_3.F to 32-bit integers for BLAS/LAPACK [1] 13967 converting beta_3_4_7.F to 32-bit integers for BLAS/LAPACK [2] 13968 converting beta_1_1.F to 32-bit integers for BLAS/LAPACK [3] 13969 converting beta_1_4_6_3_1_1.F to 32-bit integers for BLAS/LAPACK [4] 13970 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2_2_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13971 converting beta_1_3_6_1_1.F to 32-bit integers for BLAS/LAPACK [2] 13972 converting beta_3_2_2_4_1.F to 32-bit integers for BLAS/LAPACK [3] 13973 converting beta_3_4_10_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 13974 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_8_1_1.F to 32-bit integers for BLAS/LAPACK [1] 13975 converting beta_3_7_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 13976 converting beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK [3] 13977 converting beta_1_2_2_1.F to 32-bit integers for BLAS/LAPACK [4] 13978 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_3_2.F to 32-bit integers for BLAS/LAPACK [1] 13979 converting beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK [2] 13980 converting beta_3_4_3_1.F to 32-bit integers for BLAS/LAPACK [3] 13981 converting beta_3_2_6_1.F to 32-bit integers for BLAS/LAPACK [4] 13982 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_10_5_1.F to 32-bit integers for BLAS/LAPACK [1] 13983 converting beta_1_4_6_3.F to 32-bit integers for BLAS/LAPACK [2] 13984 converting beta_3_7_6_2.F to 32-bit integers for BLAS/LAPACK [3] 13985 converting beta_2_1_1.F to 32-bit integers for BLAS/LAPACK [4] 13986 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2_2.F to 32-bit integers for BLAS/LAPACK [1] 13987 converting beta_3_7_2.F to 32-bit integers for BLAS/LAPACK [2] 13988 converting beta_3_6_4.F to 32-bit integers for BLAS/LAPACK [3] 13989 converting beta_3_4_8.F to 32-bit integers for BLAS/LAPACK [4] 13990 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2.F to 32-bit integers for BLAS/LAPACK [1] 13991 converting beta_1_3_1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 13992 converting beta_1_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [3] 13993 converting beta_1_4_5_1_1.F to 32-bit integers for BLAS/LAPACK [4] 13994 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3_4_1.F to 32-bit integers for BLAS/LAPACK [1] 13995 converting beta_3_2_9_2_1.F to 32-bit integers for BLAS/LAPACK [2] 13996 converting beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK [3] 13997 converting beta_1_3_1_1.F to 32-bit integers for BLAS/LAPACK [4] 13998 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 13999 converting beta_3_4_3_2.F to 32-bit integers for BLAS/LAPACK [2] 14000 converting beta_3_4_13_1_1.F to 32-bit integers for BLAS/LAPACK [3] 14001 converting beta_3_7_7_1.F to 32-bit integers for BLAS/LAPACK [4] 14002 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_6_3.F to 32-bit integers for BLAS/LAPACK [1] 14003 converting beta_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 14004 converting beta_2_1_2.F to 32-bit integers for BLAS/LAPACK [3] 14005 converting beta_1_2_3.F to 32-bit integers for BLAS/LAPACK [4] 14006 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_3.F to 32-bit integers for BLAS/LAPACK [1] 14007 converting beta_3_6_5.F to 32-bit integers for BLAS/LAPACK [2] 14008 converting beta_3_4_9.F to 32-bit integers for BLAS/LAPACK [3] 14009 converting beta_2_1.F to 32-bit integers for BLAS/LAPACK [4] 14010 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3.F to 32-bit integers for BLAS/LAPACK [1] 14011 converting beta_1_4_1_5_1_1.F to 32-bit integers for BLAS/LAPACK [2] 14012 converting beta_1_3_6_2_1.F to 32-bit integers for BLAS/LAPACK [3] 14013 converting beta_3_6_4_2_1.F to 32-bit integers for BLAS/LAPACK [4] 14014 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_2_1_2_2.F to 32-bit integers for BLAS/LAPACK [1] 14015 converting beta_1_3_1_2.F to 32-bit integers for BLAS/LAPACK [2] 14016 converting beta_1_2_3_1.F to 32-bit integers for BLAS/LAPACK [3] 14017 converting beta_3_6_1_1.F to 32-bit integers for BLAS/LAPACK [4] 14018 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_4_1.F to 32-bit integers for BLAS/LAPACK [1] 14019 converting beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 14020 converting beta_3_2_7_1.F to 32-bit integers for BLAS/LAPACK [3] 14021 converting beta_3_4_10_6_1.F to 32-bit integers for BLAS/LAPACK [4] 14022 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_6_4.F to 32-bit integers for BLAS/LAPACK [1] 14023 converting beta_2_1_3.F to 32-bit integers for BLAS/LAPACK [2] 14024 converting beta_1_3_2.F to 32-bit integers for BLAS/LAPACK [3] 14025 converting beta_3_7_4.F to 32-bit integers for BLAS/LAPACK [4] 14026 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_6.F to 32-bit integers for BLAS/LAPACK [1] 14027 converting beta_1_4.F to 32-bit integers for BLAS/LAPACK [2] 14028 converting beta_3_4_10.F to 32-bit integers for BLAS/LAPACK [3] 14029 converting beta_1_3_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 14030 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2_3_1_1.F to 32-bit integers for BLAS/LAPACK [1] 14031 converting beta_3_4_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 14032 converting beta_1_3_7_1_1.F to 32-bit integers for BLAS/LAPACK [3] 14033 converting beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK [4] 14034 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [1] 14035 converting beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 14036 converting beta_1_3_1_3.F to 32-bit integers for BLAS/LAPACK [3] 14037 converting beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK [4] 14038 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_1_2.F to 32-bit integers for BLAS/LAPACK [1] 14039 converting beta_3_4_13_2_1.F to 32-bit integers for BLAS/LAPACK [2] 14040 converting beta_3_4_4_2.F to 32-bit integers for BLAS/LAPACK [3] 14041 converting beta_3_7_8_1.F to 32-bit integers for BLAS/LAPACK [4] 14042 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_1_1.F to 32-bit integers for BLAS/LAPACK [1] 14043 converting beta_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 14044 converting beta_1_3_3.F to 32-bit integers for BLAS/LAPACK [3] 14045 converting beta_2_1_4.F to 32-bit integers for BLAS/LAPACK [4] 14046 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_5.F to 32-bit integers for BLAS/LAPACK [1] 14047 converting beta_3_6_7.F to 32-bit integers for BLAS/LAPACK [2] 14048 converting beta_3_1.F to 32-bit integers for BLAS/LAPACK [3] 14049 converting beta_3_4_11.F to 32-bit integers for BLAS/LAPACK [4] 14050 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_2_1_1.F to 32-bit integers for BLAS/LAPACK [1] 14051 converting beta_1_4_6_1_1.F to 32-bit integers for BLAS/LAPACK [2] 14052 converting beta_3_7_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 14053 converting beta_1_4_1_1.F to 32-bit integers for BLAS/LAPACK [4] 14054 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_1_1_2.F to 32-bit integers for BLAS/LAPACK [1] 14055 converting beta_1_3_1_4.F to 32-bit integers for BLAS/LAPACK [2] 14056 converting beta_3_6_2_1.F to 32-bit integers for BLAS/LAPACK [3] 14057 converting beta_3_4_14_1_1.F to 32-bit integers for BLAS/LAPACK [4] 14058 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_5_1.F to 32-bit integers for BLAS/LAPACK [1] 14059 converting beta_3_2_8_1.F to 32-bit integers for BLAS/LAPACK [2] 14060 converting beta_3_4_10_7_1.F to 32-bit integers for BLAS/LAPACK [3] 14061 converting beta_3_1_2.F to 32-bit integers for BLAS/LAPACK [4] 14062 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_2.F to 32-bit integers for BLAS/LAPACK [1] 14063 converting beta_1_3_4.F to 32-bit integers for BLAS/LAPACK [2] 14064 converting beta_3_7_6.F to 32-bit integers for BLAS/LAPACK [3] 14065 converting beta_3_2.F to 32-bit integers for BLAS/LAPACK [4] 14066 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_12.F to 32-bit integers for BLAS/LAPACK [1] 14067 converting beta_3_7_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 14068 converting beta_1_4_1_1_1.F to 32-bit integers for BLAS/LAPACK [3] 14069 converting beta_1_3_1_3_1.F to 32-bit integers for BLAS/LAPACK [4] 14070 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_7_2_1.F to 32-bit integers for BLAS/LAPACK [1] 14071 converting beta_3_7_4_1_2.F to 32-bit integers for BLAS/LAPACK [2] 14072 converting beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK [3] 14073 converting beta_1_4_1_2.F to 32-bit integers for BLAS/LAPACK [4] 14074 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 14075 converting beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 14076 converting beta_1_3_1_5.F to 32-bit integers for BLAS/LAPACK [3] 14077 converting beta_3_7_1_1.F to 32-bit integers for BLAS/LAPACK [4] 14078 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK [1] 14079 converting beta_3_4_5_2.F to 32-bit integers for BLAS/LAPACK [2] 14080 converting beta_3_2_1.F to 32-bit integers for BLAS/LAPACK [3] 14081 converting beta_3_1_3.F to 32-bit integers for BLAS/LAPACK [4] 14082 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3.F to 32-bit integers for BLAS/LAPACK [1] 14083 converting beta_3_4_10_1.F to 32-bit integers for BLAS/LAPACK [2] 14084 converting beta_1_3_5.F to 32-bit integers for BLAS/LAPACK [3] 14085 converting beta_3_7_7.F to 32-bit integers for BLAS/LAPACK [4] 14086 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_1.F to 32-bit integers for BLAS/LAPACK [1] 14087 converting beta_3_3.F to 32-bit integers for BLAS/LAPACK [2] 14088 converting beta_3_4_13.F to 32-bit integers for BLAS/LAPACK [3] 14089 converting beta_1_3_1_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 14090 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_1_1_2.F to 32-bit integers for BLAS/LAPACK [1] 14091 converting beta_1_4_6_2_1.F to 32-bit integers for BLAS/LAPACK [2] 14092 converting beta_1_3_8_1_1.F to 32-bit integers for BLAS/LAPACK [3] 14093 converting beta_3_7_4_2_1.F to 32-bit integers for BLAS/LAPACK [4] 14094 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_1_1.F to 32-bit integers for BLAS/LAPACK [1] 14095 converting beta_1_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 14096 converting beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 14097 converting beta_1_4_1_3.F to 32-bit integers for BLAS/LAPACK [4] 14098 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_1_6.F to 32-bit integers for BLAS/LAPACK [1] 14099 converting beta_3_6_3_1.F to 32-bit integers for BLAS/LAPACK [2] 14100 converting beta_3_4_14_2_1.F to 32-bit integers for BLAS/LAPACK [3] 14101 converting beta_3_4_6_1.F to 32-bit integers for BLAS/LAPACK [4] 14102 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_9_1.F to 32-bit integers for BLAS/LAPACK [1] 14103 converting beta_3_4_10_8_1.F to 32-bit integers for BLAS/LAPACK [2] 14104 converting beta_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 14105 converting beta_3_2_2.F to 32-bit integers for BLAS/LAPACK [4] 14106 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_1_4.F to 32-bit integers for BLAS/LAPACK [1] 14107 converting beta_1_4_4.F to 32-bit integers for BLAS/LAPACK [2] 14108 converting beta_3_4_10_2.F to 32-bit integers for BLAS/LAPACK [3] 14109 converting beta_1_3_6.F to 32-bit integers for BLAS/LAPACK [4] 14110 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_8.F to 32-bit integers for BLAS/LAPACK [1] 14111 converting beta_4_2.F to 32-bit integers for BLAS/LAPACK [2] 14112 converting beta_3_4.F to 32-bit integers for BLAS/LAPACK [3] 14113 converting beta_3_4_14.F to 32-bit integers for BLAS/LAPACK [4] 14114 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' Making 64_to_32 in ccd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ccd_e.F ccd_t2.F converting ccd_e.F to 32-bit integers for BLAS/LAPACK [1] 17009 converting ccd_t2.F to 32-bit integers for BLAS/LAPACK [2] 17010 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' Making 64_to_32 in lccd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 lccd_e.F lccd_t2.F converting lccd_e.F to 32-bit integers for BLAS/LAPACK [1] 19886 converting lccd_t2.F to 32-bit integers for BLAS/LAPACK [2] 19887 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' Making 64_to_32 in lccsd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 lccsd_e.F lccsd_t1.F lccsd_t2.F converting lccsd_e.F to 32-bit integers for BLAS/LAPACK [1] 22750 converting lccsd_t1.F to 32-bit integers for BLAS/LAPACK [2] 22751 converting lccsd_t2.F to 32-bit integers for BLAS/LAPACK [3] 22752 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' Making 64_to_32 in qcisd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 qcisd_e.F qcisd_t1.F qcisd_t2.F converting qcisd_e.F to 32-bit integers for BLAS/LAPACK [1] 25614 converting qcisd_t1.F to 32-bit integers for BLAS/LAPACK [2] 25615 converting qcisd_t2.F to 32-bit integers for BLAS/LAPACK [3] 25616 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' Making 64_to_32 in cc3 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 cc3_t3.F ccsdt1b_t3.F ccsdt2_t3.F ccsdt3_t3.F eomccsdt1_x3.F eomcc3_x3.F eomccsdt3_x3.F cc3_lambda3.F converting cc3_t3.F to 32-bit integers for BLAS/LAPACK [1] 28485 converting ccsdt1b_t3.F to 32-bit integers for BLAS/LAPACK [2] 28486 converting ccsdt2_t3.F to 32-bit integers for BLAS/LAPACK [3] 28487 converting ccsdt3_t3.F to 32-bit integers for BLAS/LAPACK [4] 28488 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt1_x3.F to 32-bit integers for BLAS/LAPACK [1] 28489 converting eomcc3_x3.F to 32-bit integers for BLAS/LAPACK [2] 28490 converting eomccsdt3_x3.F to 32-bit integers for BLAS/LAPACK [3] 28491 converting cc3_lambda3.F to 32-bit integers for BLAS/LAPACK [4] 28492 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' Making 64_to_32 in mbpt1 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 mbpt1_t1.F mbpt1_t2.F converting mbpt1_t1.F to 32-bit integers for BLAS/LAPACK [1] 31357 converting mbpt1_t2.F to 32-bit integers for BLAS/LAPACK [2] 31358 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' Making 64_to_32 in mbpt2 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 mbpt2_e.F mbpt2_t1.F mbpt2_t2_b.F mbpt2_t2.F mbpt2_t3.F mbpt2_t1_sd.F mbpt2_t2_sd.F mbpt2_t4.F converting mbpt2_e.F to 32-bit integers for BLAS/LAPACK [1] 1756 converting mbpt2_t1.F to 32-bit integers for BLAS/LAPACK [2] 1757 converting mbpt2_t2_b.F to 32-bit integers for BLAS/LAPACK [3] 1758 converting mbpt2_t2.F to 32-bit integers for BLAS/LAPACK [4] 1759 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mbpt2_t3.F to 32-bit integers for BLAS/LAPACK [1] 1760 converting mbpt2_t1_sd.F to 32-bit integers for BLAS/LAPACK [2] 1761 converting mbpt2_t2_sd.F to 32-bit integers for BLAS/LAPACK [3] 1762 converting mbpt2_t4.F to 32-bit integers for BLAS/LAPACK [4] 1763 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' Making 64_to_32 in mbpt3 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 mbpt3_e.F mbpt3_t1.F mbpt3_t2.F mbpt3_t1_sd.F mbpt3_t2_sd.F converting mbpt3_e.F to 32-bit integers for BLAS/LAPACK [1] 4645 converting mbpt3_t1.F to 32-bit integers for BLAS/LAPACK [2] 4646 converting mbpt3_t2.F to 32-bit integers for BLAS/LAPACK [3] 4647 converting mbpt3_t1_sd.F to 32-bit integers for BLAS/LAPACK [4] 4648 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mbpt3_t2_sd.F to 32-bit integers for BLAS/LAPACK [1] 4649 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' Making 64_to_32 in mbpt4 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 mbpt4_e.F converting mbpt4_e.F to 32-bit integers for BLAS/LAPACK [1] 7744 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' Making 64_to_32 in cis make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 cis_x1.F cis_xdiagon.F converting cis_x1.F to 32-bit integers for BLAS/LAPACK [1] 10617 converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK [2] 10618 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' Making 64_to_32 in cisd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 cisd_c1.F cisd_c2.F cisd_e.F converting cisd_c1.F to 32-bit integers for BLAS/LAPACK [1] 13491 converting cisd_c2.F to 32-bit integers for BLAS/LAPACK [2] 13492 converting cisd_e.F to 32-bit integers for BLAS/LAPACK [3] 13493 [3] + Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' Making 64_to_32 in cisdt make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 cisdt_c1.F cisdt_c2.F cisdt_c3.F cisdt_e.F converting cisdt_c1.F to 32-bit integers for BLAS/LAPACK [1] 16389 converting cisdt_c2.F to 32-bit integers for BLAS/LAPACK [2] 16390 converting cisdt_c3.F to 32-bit integers for BLAS/LAPACK [3] 16391 converting cisdt_e.F to 32-bit integers for BLAS/LAPACK [4] 16392 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' Making 64_to_32 in cisdtq make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 cisdtq_c1.F cisdtq_c2.F cisdtq_c3.F cisdtq_c4.F cisdtq_e.F converting cisdtq_c1.F to 32-bit integers for BLAS/LAPACK [1] 19268 converting cisdtq_c2.F to 32-bit integers for BLAS/LAPACK [2] 19269 converting cisdtq_c3.F to 32-bit integers for BLAS/LAPACK [3] 19270 converting cisdtq_c4.F to 32-bit integers for BLAS/LAPACK [4] 19271 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdtq_e.F to 32-bit integers for BLAS/LAPACK [1] 19272 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' Making 64_to_32 in ccsdt make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ccsdt_e.F ccsdt_t1a.F ccsdt_t1.F ccsdt_t2a.F ccsdt_t2.F ccsdt_t3_1_2_2_2.F ccsdt_t3_1_2_2.F ccsdt_t3_1_2_3.F ccsdt_t3_1_2.F ccsdt_t3_1_3_2.F ccsdt_t3_1_3.F ccsdt_t3_1_4_2.F ccsdt_t3_1_4.F ccsdt_t3_1_5_2.F ccsdt_t3_1_5.F ccsdt_t3_1_6.F ccsdt_t3_1_7.F ccsdt_t3_1.F ccsdt_t3_2_2.F ccsdt_t3_2_3_2.F ccsdt_t3_2_3.F ccsdt_t3_2_4.F ccsdt_t3_2_5.F ccsdt_t3_2.F ccsdt_t3_3_2_2.F ccsdt_t3_3_2.F ccsdt_t3_3_3.F ccsdt_t3_3_4.F ccsdt_t3_3.F ccsdt_t3_4_2.F ccsdt_t3_4_3.F ccsdt_t3_4.F ccsdt_t3_5_2_2.F ccsdt_t3_5_2.F ccsdt_t3_5_3.F ccsdt_t3_5.F ccsdt_t3_6_2.F ccsdt_t3_6_3.F ccsdt_t3_6.F ccsdt_t3_7.F ccsdt_t3_8_1_2_2.F ccsdt_t3_8_1_2.F ccsdt_t3_8_1_3.F ccsdt_t3_8_1_4.F ccsdt_t3_8_1.F ccsdt_t3_8_2_2.F ccsdt_t3_8_2.F ccsdt_t3_8_3_2.F ccsdt_t3_8_3.F ccsdt_t3_8_4.F ccsdt_t3_8_5_1.F ccsdt_t3_8_5.F ccsdt_t3_8.F ccsdt_t3_9_1.F ccsdt_t3_9.F ccsdt_t3a_1_2_2_2.F ccsdt_t3a_1_2_2.F ccsdt_t3a_1_2_3.F ccsdt_t3a_1_2.F ccsdt_t3a_1_3_2.F ccsdt_t3a_1_3.F ccsdt_t3a_1_4_2.F ccsdt_t3a_1_4.F ccsdt_t3a_1_5_2.F ccsdt_t3a_1_5.F ccsdt_t3a_1_6.F ccsdt_t3a_1_7.F ccsdt_t3a_1.F ccsdt_t3a_2_2.F ccsdt_t3a_2_3_2.F ccsdt_t3a_2_3.F ccsdt_t3a_2_4.F ccsdt_t3a_2_5.F ccsdt_t3a_2.F ccsdt_t3a_3_2_2.F ccsdt_t3a_3_2.F ccsdt_t3a_3_3.F ccsdt_t3a_3_4.F ccsdt_t3a_3.F ccsdt_t3a_4_2.F ccsdt_t3a_4_3.F ccsdt_t3a_4.F ccsdt_t3a_5_2_2.F ccsdt_t3a_5_2.F ccsdt_t3a_5_3.F ccsdt_t3a_5.F ccsdt_t3a_6_2.F ccsdt_t3a_6_3.F ccsdt_t3a_6.F ccsdt_t3a_7.F ccsdt_t3a_8_1_2_2.F ccsdt_t3a_8_1_2.F ccsdt_t3a_8_1_3.F ccsdt_t3a_8_1_4.F ccsdt_t3a_8_1.F ccsdt_t3a_8_2_2.F ccsdt_t3a_8_2.F ccsdt_t3a_8_3_2.F ccsdt_t3a_8_3.F ccsdt_t3a_8_4.F ccsdt_t3a_8_5_1.F ccsdt_t3a_8_5.F ccsdt_t3a_8.F ccsdt_t3a_9_1.F ccsdt_t3a_9.F converting ccsdt_e.F to 32-bit integers for BLAS/LAPACK [1] 22134 converting ccsdt_t1a.F to 32-bit integers for BLAS/LAPACK [2] 22135 converting ccsdt_t1.F to 32-bit integers for BLAS/LAPACK [3] 22136 converting ccsdt_t2a.F to 32-bit integers for BLAS/LAPACK [4] 22137 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t2.F to 32-bit integers for BLAS/LAPACK [1] 22138 converting ccsdt_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 22139 converting ccsdt_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 22140 converting ccsdt_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK [4] 22141 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_1_2.F to 32-bit integers for BLAS/LAPACK [1] 22145 converting ccsdt_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK [2] 22146 converting ccsdt_t3_1_3.F to 32-bit integers for BLAS/LAPACK [3] 22147 converting ccsdt_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK [4] 22148 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_1_4.F to 32-bit integers for BLAS/LAPACK [1] 22149 converting ccsdt_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK [2] 22150 converting ccsdt_t3_1_5.F to 32-bit integers for BLAS/LAPACK [3] 22151 converting ccsdt_t3_1_6.F to 32-bit integers for BLAS/LAPACK [4] 22152 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_1_7.F to 32-bit integers for BLAS/LAPACK [1] 22153 converting ccsdt_t3_1.F to 32-bit integers for BLAS/LAPACK [2] 22154 converting ccsdt_t3_2_2.F to 32-bit integers for BLAS/LAPACK [3] 22155 converting ccsdt_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK [4] 22156 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_2_3.F to 32-bit integers for BLAS/LAPACK [1] 22157 converting ccsdt_t3_2_4.F to 32-bit integers for BLAS/LAPACK [2] 22158 converting ccsdt_t3_2_5.F to 32-bit integers for BLAS/LAPACK [3] 22159 converting ccsdt_t3_2.F to 32-bit integers for BLAS/LAPACK [4] 22160 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_3_2_2.F to 32-bit integers for BLAS/LAPACK [1] 22161 converting ccsdt_t3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 22162 converting ccsdt_t3_3_3.F to 32-bit integers for BLAS/LAPACK [3] 22163 converting ccsdt_t3_3_4.F to 32-bit integers for BLAS/LAPACK [4] 22164 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_3.F to 32-bit integers for BLAS/LAPACK [1] 22165 converting ccsdt_t3_4_2.F to 32-bit integers for BLAS/LAPACK [2] 22166 converting ccsdt_t3_4_3.F to 32-bit integers for BLAS/LAPACK [3] 22167 converting ccsdt_t3_4.F to 32-bit integers for BLAS/LAPACK [4] 22168 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_5_2_2.F to 32-bit integers for BLAS/LAPACK [1] 22169 converting ccsdt_t3_5_2.F to 32-bit integers for BLAS/LAPACK [2] 22170 converting ccsdt_t3_5_3.F to 32-bit integers for BLAS/LAPACK [3] 22171 converting ccsdt_t3_5.F to 32-bit integers for BLAS/LAPACK [4] 22172 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_6_2.F to 32-bit integers for BLAS/LAPACK [1] 22173 converting ccsdt_t3_6_3.F to 32-bit integers for BLAS/LAPACK [2] 22174 converting ccsdt_t3_6.F to 32-bit integers for BLAS/LAPACK [3] 22175 converting ccsdt_t3_7.F to 32-bit integers for BLAS/LAPACK [4] 22176 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_8_1_2_2.F to 32-bit integers for BLAS/LAPACK [1] 22177 converting ccsdt_t3_8_1_2.F to 32-bit integers for BLAS/LAPACK [2] 22178 converting ccsdt_t3_8_1_3.F to 32-bit integers for BLAS/LAPACK [3] 22179 converting ccsdt_t3_8_1_4.F to 32-bit integers for BLAS/LAPACK [4] 22180 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_8_1.F to 32-bit integers for BLAS/LAPACK [1] 22181 converting ccsdt_t3_8_2_2.F to 32-bit integers for BLAS/LAPACK [2] 22182 converting ccsdt_t3_8_2.F to 32-bit integers for BLAS/LAPACK [3] 22183 converting ccsdt_t3_8_3_2.F to 32-bit integers for BLAS/LAPACK [4] 22184 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_8_3.F to 32-bit integers for BLAS/LAPACK [1] 22185 converting ccsdt_t3_8_4.F to 32-bit integers for BLAS/LAPACK [2] 22186 converting ccsdt_t3_8_5_1.F to 32-bit integers for BLAS/LAPACK [3] 22187 converting ccsdt_t3_8_5.F to 32-bit integers for BLAS/LAPACK [4] 22188 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_8.F to 32-bit integers for BLAS/LAPACK [1] 22189 converting ccsdt_t3_9_1.F to 32-bit integers for BLAS/LAPACK [2] 22190 converting ccsdt_t3_9.F to 32-bit integers for BLAS/LAPACK [3] 22191 converting ccsdt_t3a_1_2_2_2.F to 32-bit integers for BLAS/LAPACK [4] 22192 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_1_2_2.F to 32-bit integers for BLAS/LAPACK [1] 22193 converting ccsdt_t3a_1_2_3.F to 32-bit integers for BLAS/LAPACK [2] 22194 converting ccsdt_t3a_1_2.F to 32-bit integers for BLAS/LAPACK [3] 22195 converting ccsdt_t3a_1_3_2.F to 32-bit integers for BLAS/LAPACK [4] 22196 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_1_3.F to 32-bit integers for BLAS/LAPACK [1] 22197 converting ccsdt_t3a_1_4_2.F to 32-bit integers for BLAS/LAPACK [2] 22198 converting ccsdt_t3a_1_4.F to 32-bit integers for BLAS/LAPACK [3] 22200 converting ccsdt_t3a_1_5_2.F to 32-bit integers for BLAS/LAPACK [4] 22201 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_1_5.F to 32-bit integers for BLAS/LAPACK [1] 22202 converting ccsdt_t3a_1_6.F to 32-bit integers for BLAS/LAPACK [2] 22203 converting ccsdt_t3a_1_7.F to 32-bit integers for BLAS/LAPACK [3] 22204 converting ccsdt_t3a_1.F to 32-bit integers for BLAS/LAPACK [4] 22205 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_2_2.F to 32-bit integers for BLAS/LAPACK [1] 22206 converting ccsdt_t3a_2_3_2.F to 32-bit integers for BLAS/LAPACK [2] 22207 converting ccsdt_t3a_2_3.F to 32-bit integers for BLAS/LAPACK [3] 22208 converting ccsdt_t3a_2_4.F to 32-bit integers for BLAS/LAPACK [4] 22209 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_2_5.F to 32-bit integers for BLAS/LAPACK [1] 22210 converting ccsdt_t3a_2.F to 32-bit integers for BLAS/LAPACK [2] 22211 converting ccsdt_t3a_3_2_2.F to 32-bit integers for BLAS/LAPACK [3] 22212 converting ccsdt_t3a_3_2.F to 32-bit integers for BLAS/LAPACK [4] 22213 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_3_3.F to 32-bit integers for BLAS/LAPACK [1] 22214 converting ccsdt_t3a_3_4.F to 32-bit integers for BLAS/LAPACK [2] 22215 converting ccsdt_t3a_3.F to 32-bit integers for BLAS/LAPACK [3] 22216 converting ccsdt_t3a_4_2.F to 32-bit integers for BLAS/LAPACK [4] 22217 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_4_3.F to 32-bit integers for BLAS/LAPACK [1] 22218 converting ccsdt_t3a_4.F to 32-bit integers for BLAS/LAPACK [2] 22219 converting ccsdt_t3a_5_2_2.F to 32-bit integers for BLAS/LAPACK [3] 22220 converting ccsdt_t3a_5_2.F to 32-bit integers for BLAS/LAPACK [4] 22221 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_5_3.F to 32-bit integers for BLAS/LAPACK [1] 22222 converting ccsdt_t3a_5.F to 32-bit integers for BLAS/LAPACK [2] 22223 converting ccsdt_t3a_6_2.F to 32-bit integers for BLAS/LAPACK [3] 22224 converting ccsdt_t3a_6_3.F to 32-bit integers for BLAS/LAPACK [4] 22225 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_6.F to 32-bit integers for BLAS/LAPACK [1] 22226 converting ccsdt_t3a_7.F to 32-bit integers for BLAS/LAPACK [2] 22227 converting ccsdt_t3a_8_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 22228 converting ccsdt_t3a_8_1_2.F to 32-bit integers for BLAS/LAPACK [4] 22229 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_8_1_3.F to 32-bit integers for BLAS/LAPACK [1] 22230 converting ccsdt_t3a_8_1_4.F to 32-bit integers for BLAS/LAPACK [2] 22231 converting ccsdt_t3a_8_1.F to 32-bit integers for BLAS/LAPACK [3] 22232 converting ccsdt_t3a_8_2_2.F to 32-bit integers for BLAS/LAPACK [4] 22233 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_8_2.F to 32-bit integers for BLAS/LAPACK [1] 22234 converting ccsdt_t3a_8_3_2.F to 32-bit integers for BLAS/LAPACK [2] 22235 converting ccsdt_t3a_8_3.F to 32-bit integers for BLAS/LAPACK [3] 22236 converting ccsdt_t3a_8_4.F to 32-bit integers for BLAS/LAPACK [4] 22237 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_8_5_1.F to 32-bit integers for BLAS/LAPACK [1] 22238 converting ccsdt_t3a_8_5.F to 32-bit integers for BLAS/LAPACK [2] 22239 converting ccsdt_t3a_8.F to 32-bit integers for BLAS/LAPACK [3] 22240 converting ccsdt_t3a_9_1.F to 32-bit integers for BLAS/LAPACK [4] 22241 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_9.F to 32-bit integers for BLAS/LAPACK [1] 22242 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' Making 64_to_32 in ccsdt_lambda make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ccsdt_density1.F ccsdt_lambda1_10_1.F ccsdt_lambda1_10_2.F ccsdt_lambda1_10_3.F ccsdt_lambda1_10.F ccsdt_lambda1_11_1.F ccsdt_lambda1_11_2.F ccsdt_lambda1_11_3.F ccsdt_lambda1_11.F ccsdt_lambda1_12_1.F ccsdt_lambda1_12_2.F ccsdt_lambda1_12_3.F ccsdt_lambda1_12.F ccsdt_lambda1_13_1.F ccsdt_lambda1_13_2.F ccsdt_lambda1_13.F ccsdt_lambda1_14_1.F ccsdt_lambda1_14_2.F ccsdt_lambda1_14_3_1.F ccsdt_lambda1_14_3_2.F ccsdt_lambda1_14_3_3_1.F ccsdt_lambda1_14_3_3_2.F ccsdt_lambda1_14_3_3.F ccsdt_lambda1_14_3.F ccsdt_lambda1_14_4_1.F ccsdt_lambda1_14_4.F ccsdt_lambda1_14_5_1.F ccsdt_lambda1_14_5_2.F ccsdt_lambda1_14_5.F ccsdt_lambda1_14_6_1.F ccsdt_lambda1_14_6.F ccsdt_lambda1_14_7_1.F ccsdt_lambda1_14_7.F ccsdt_lambda1_14_8_1.F ccsdt_lambda1_14_8.F ccsdt_lambda1_14_9_1_1.F ccsdt_lambda1_14_9_1.F ccsdt_lambda1_14_9.F ccsdt_lambda1_14.F ccsdt_lambda1_15_1.F ccsdt_lambda1_15_2.F ccsdt_lambda1_15_3_1.F ccsdt_lambda1_15_3.F ccsdt_lambda1_15_4_1.F ccsdt_lambda1_15_4.F ccsdt_lambda1_15.F ccsdt_lambda1_16_1.F ccsdt_lambda1_16_2.F ccsdt_lambda1_16_3_1.F ccsdt_lambda1_16_3_2.F ccsdt_lambda1_16_3.F ccsdt_lambda1_16_4_1.F ccsdt_lambda1_16_4.F ccsdt_lambda1_16.F ccsdt_lambda1_17_1.F ccsdt_lambda1_17.F ccsdt_lambda1_18_1_2.F ccsdt_lambda1_18_1_3.F ccsdt_lambda1_18_1_4.F ccsdt_lambda1_18_1.F ccsdt_lambda1_18_2_2.F ccsdt_lambda1_18_2.F ccsdt_lambda1_18_3_2.F ccsdt_lambda1_18_3.F ccsdt_lambda1_18_4.F ccsdt_lambda1_18_5_1.F ccsdt_lambda1_18_5.F ccsdt_lambda1_18_6_1_1.F ccsdt_lambda1_18_6_1.F ccsdt_lambda1_18_6.F ccsdt_lambda1_18.F ccsdt_lambda1_19_1.F ccsdt_lambda1_19.F ccsdt_lambda1_20_1_1.F ccsdt_lambda1_20_1.F ccsdt_lambda1_20.F ccsdt_lambda1_21_1_1.F ccsdt_lambda1_21_1.F ccsdt_lambda1_21_2_1_1.F ccsdt_lambda1_21_2_1.F ccsdt_lambda1_21_2.F ccsdt_lambda1_21.F ccsdt_lambda1_2_2_2.F ccsdt_lambda1_2_2.F ccsdt_lambda1_2_3.F ccsdt_lambda1_2_4.F ccsdt_lambda1_2.F ccsdt_lambda1_3_2.F ccsdt_lambda1_3_3_1.F ccsdt_lambda1_3_3.F ccsdt_lambda1_3.F ccsdt_lambda1_4.F ccsdt_lambda1_5_2_2_2.F ccsdt_lambda1_5_2_2.F ccsdt_lambda1_5_2_3.F ccsdt_lambda1_5_2_4.F ccsdt_lambda1_5_2.F ccsdt_lambda1_5_3_2.F ccsdt_lambda1_5_3.F ccsdt_lambda1_5_4.F ccsdt_lambda1_5_5_2.F ccsdt_lambda1_5_5.F ccsdt_lambda1_5_6_2.F ccsdt_lambda1_5_6.F ccsdt_lambda1_5_7.F ccsdt_lambda1_5_8.F ccsdt_lambda1_5.F ccsdt_lambda1_6_2_2_2.F ccsdt_lambda1_6_2_2.F ccsdt_lambda1_6_2_3.F ccsdt_lambda1_6_2.F ccsdt_lambda1_6_3_2.F ccsdt_lambda1_6_3.F ccsdt_lambda1_6_4_2.F ccsdt_lambda1_6_4.F ccsdt_lambda1_6_5_2.F ccsdt_lambda1_6_5.F ccsdt_lambda1_6_6.F ccsdt_lambda1_6_7.F ccsdt_lambda1_6.F ccsdt_lambda1_7_2.F ccsdt_lambda1_7.F ccsdt_lambda1_8_10_2.F ccsdt_lambda1_8_10.F ccsdt_lambda1_8_11.F ccsdt_lambda1_8_12_1.F ccsdt_lambda1_8_12_2.F ccsdt_lambda1_8_12_3.F ccsdt_lambda1_8_12.F ccsdt_lambda1_8_13_1.F ccsdt_lambda1_8_13_2.F ccsdt_lambda1_8_13_3.F ccsdt_lambda1_8_13.F ccsdt_lambda1_8_14_1.F ccsdt_lambda1_8_14_2.F ccsdt_lambda1_8_14.F ccsdt_lambda1_8_2_2_2_2.F ccsdt_lambda1_8_2_2_2.F ccsdt_lambda1_8_2_2_3.F ccsdt_lambda1_8_2_2.F ccsdt_lambda1_8_2_3_2.F ccsdt_lambda1_8_2_3.F ccsdt_lambda1_8_2_4.F ccsdt_lambda1_8_2_5_1.F ccsdt_lambda1_8_2_5.F ccsdt_lambda1_8_2.F ccsdt_lambda1_8_3_2.F ccsdt_lambda1_8_3.F ccsdt_lambda1_8_4_2_1.F ccsdt_lambda1_8_4_2.F ccsdt_lambda1_8_4.F ccsdt_lambda1_8_5_2_1.F ccsdt_lambda1_8_5_2.F ccsdt_lambda1_8_5.F ccsdt_lambda1_8_6_2_2.F ccsdt_lambda1_8_6_2.F ccsdt_lambda1_8_6_3.F ccsdt_lambda1_8_6.F ccsdt_lambda1_8_7_2.F ccsdt_lambda1_8_7_3.F ccsdt_lambda1_8_7.F ccsdt_lambda1_8_8.F ccsdt_lambda1_8_9_2.F ccsdt_lambda1_8_9.F ccsdt_lambda1_8.F ccsdt_lambda1_9_2.F ccsdt_lambda1_9_3.F ccsdt_lambda1_9_4_1.F ccsdt_lambda1_9_4_2.F ccsdt_lambda1_9_4_3.F ccsdt_lambda1_9_4.F ccsdt_lambda1_9_5_1.F ccsdt_lambda1_9_5_2.F ccsdt_lambda1_9_5.F ccsdt_lambda1_9_6_1.F ccsdt_lambda1_9_6.F ccsdt_lambda1_9.F ccsdt_lambda2_10_2_2_2.F ccsdt_lambda2_10_2_2.F ccsdt_lambda2_10_2_3.F ccsdt_lambda2_10_2_4.F ccsdt_lambda2_10_2.F ccsdt_lambda2_10_3_2.F ccsdt_lambda2_10_3_3.F ccsdt_lambda2_10_3.F ccsdt_lambda2_10_4.F ccsdt_lambda2_10_5_2.F ccsdt_lambda2_10_5.F ccsdt_lambda2_10_6.F ccsdt_lambda2_10_7.F ccsdt_lambda2_10_8.F ccsdt_lambda2_10.F ccsdt_lambda2_11_2_2_2.F ccsdt_lambda2_11_2_2.F ccsdt_lambda2_11_2_3.F ccsdt_lambda2_11_2.F ccsdt_lambda2_11_3_2.F ccsdt_lambda2_11_3.F ccsdt_lambda2_11_4_2.F ccsdt_lambda2_11_4.F ccsdt_lambda2_11_5_2.F ccsdt_lambda2_11_5.F ccsdt_lambda2_11_6.F ccsdt_lambda2_11_7.F ccsdt_lambda2_11.F ccsdt_lambda2_12_2.F ccsdt_lambda2_12_3_2.F ccsdt_lambda2_12_3.F ccsdt_lambda2_12_4.F ccsdt_lambda2_12_5.F ccsdt_lambda2_12_6_1.F ccsdt_lambda2_12_6.F ccsdt_lambda2_12_7_1.F ccsdt_lambda2_12_7.F ccsdt_lambda2_12.F ccsdt_lambda2_13_1.F ccsdt_lambda2_13_2.F ccsdt_lambda2_13_3.F ccsdt_lambda2_13.F ccsdt_lambda2_14_1.F ccsdt_lambda2_14_2.F ccsdt_lambda2_14.F ccsdt_lambda2_15_1.F ccsdt_lambda2_15_2.F ccsdt_lambda2_15.F ccsdt_lambda2_16_1.F ccsdt_lambda2_16_2.F ccsdt_lambda2_16.F ccsdt_lambda2_17_1.F ccsdt_lambda2_17.F ccsdt_lambda2_18_1.F ccsdt_lambda2_18_2.F ccsdt_lambda2_18.F ccsdt_lambda2_19_1.F ccsdt_lambda2_19_2.F ccsdt_lambda2_19_3_1.F ccsdt_lambda2_19_3.F ccsdt_lambda2_19_4_1.F ccsdt_lambda2_19_4.F ccsdt_lambda2_19.F ccsdt_lambda2_20_1.F ccsdt_lambda2_20.F ccsdt_lambda2_21_1.F ccsdt_lambda2_21.F ccsdt_lambda2_22_1.F ccsdt_lambda2_2_2.F ccsdt_lambda2_22.F ccsdt_lambda2_23_1.F ccsdt_lambda2_23_2_1.F ccsdt_lambda2_23_2_2.F ccsdt_lambda2_23_2.F ccsdt_lambda2_23_3_1.F ccsdt_lambda2_23_3.F ccsdt_lambda2_23.F ccsdt_lambda2_24_1_1.F ccsdt_lambda2_24_1.F ccsdt_lambda2_24.F ccsdt_lambda2_25_1_1.F ccsdt_lambda2_25_1.F ccsdt_lambda2_25.F ccsdt_lambda2_26_1_1.F ccsdt_lambda2_26_1.F ccsdt_lambda2_26_2_1_1.F ccsdt_lambda2_26_2_1.F ccsdt_lambda2_26_2.F ccsdt_lambda2_26.F ccsdt_lambda2_2.F ccsdt_lambda2_3_2.F ccsdt_lambda2_3.F ccsdt_lambda2_4.F ccsdt_lambda2_5_2_2.F ccsdt_lambda2_5_2.F ccsdt_lambda2_5_3.F ccsdt_lambda2_5_4.F ccsdt_lambda2_5.F ccsdt_lambda2_6_2.F ccsdt_lambda2_6_3.F ccsdt_lambda2_6_4_1.F ccsdt_lambda2_6_4.F ccsdt_lambda2_6.F ccsdt_lambda2_7_2_2.F ccsdt_lambda2_7_2.F ccsdt_lambda2_7_3.F ccsdt_lambda2_7.F ccsdt_lambda2_8_2.F ccsdt_lambda2_8_3.F ccsdt_lambda2_8.F ccsdt_lambda2_9.F ccsdt_lambda3.F converting ccsdt_density1.F to 32-bit integers for BLAS/LAPACK [1] 25104 converting ccsdt_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK [2] 25105 converting ccsdt_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK [3] 25106 converting ccsdt_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK [4] 25107 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_10.F to 32-bit integers for BLAS/LAPACK [1] 25108 converting ccsdt_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK [2] 25109 converting ccsdt_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK [3] 25110 converting ccsdt_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK [4] 25111 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_11.F to 32-bit integers for BLAS/LAPACK [1] 25112 converting ccsdt_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK [2] 25113 converting ccsdt_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK [3] 25114 converting ccsdt_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK [4] 25115 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_12.F to 32-bit integers for BLAS/LAPACK [1] 25116 converting ccsdt_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK [2] 25117 converting ccsdt_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK [3] 25118 converting ccsdt_lambda1_13.F to 32-bit integers for BLAS/LAPACK [4] 25119 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_1.F to 32-bit integers for BLAS/LAPACK [1] 25120 converting ccsdt_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK [2] 25121 converting ccsdt_lambda1_14_3_1.F to 32-bit integers for BLAS/LAPACK [3] 25122 converting ccsdt_lambda1_14_3_2.F to 32-bit integers for BLAS/LAPACK [4] 25123 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 25124 converting ccsdt_lambda1_14_3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 25125 converting ccsdt_lambda1_14_3_3.F to 32-bit integers for BLAS/LAPACK [3] 25126 converting ccsdt_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK [4] 25127 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_4_1.F to 32-bit integers for BLAS/LAPACK [1] 25128 converting ccsdt_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK [2] 25129 converting ccsdt_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK [3] 25130 converting ccsdt_lambda1_14_5_2.F to 32-bit integers for BLAS/LAPACK [4] 25131 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_5.F to 32-bit integers for BLAS/LAPACK [1] 25132 converting ccsdt_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK [2] 25133 converting ccsdt_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK [3] 25134 converting ccsdt_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK [4] 25135 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_7.F to 32-bit integers for BLAS/LAPACK [1] 25136 converting ccsdt_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK [2] 25137 converting ccsdt_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK [3] 25138 converting ccsdt_lambda1_14_9_1_1.F to 32-bit integers for BLAS/LAPACK [4] 25139 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_9_1.F to 32-bit integers for BLAS/LAPACK [1] 25140 converting ccsdt_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK [2] 25141 converting ccsdt_lambda1_14.F to 32-bit integers for BLAS/LAPACK [3] 25142 converting ccsdt_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK [4] 25143 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_15_2.F to 32-bit integers for BLAS/LAPACK [1] 25144 converting ccsdt_lambda1_15_3_1.F to 32-bit integers for BLAS/LAPACK [2] 25145 converting ccsdt_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK [3] 25146 converting ccsdt_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK [4] 25147 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_15_4.F to 32-bit integers for BLAS/LAPACK [1] 25148 converting ccsdt_lambda1_15.F to 32-bit integers for BLAS/LAPACK [2] 25149 converting ccsdt_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK [3] 25150 converting ccsdt_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK [4] 25151 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_16_3_1.F to 32-bit integers for BLAS/LAPACK [1] 25152 converting ccsdt_lambda1_16_3_2.F to 32-bit integers for BLAS/LAPACK [2] 25153 converting ccsdt_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK [3] 25154 converting ccsdt_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK [4] 25155 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_16_4.F to 32-bit integers for BLAS/LAPACK [1] 25156 converting ccsdt_lambda1_16.F to 32-bit integers for BLAS/LAPACK [2] 25157 converting ccsdt_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK [3] 25158 converting ccsdt_lambda1_17.F to 32-bit integers for BLAS/LAPACK [4] 25159 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_18_1_2.F to 32-bit integers for BLAS/LAPACK [1] 25160 converting ccsdt_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK [2] 25161 converting ccsdt_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK [3] 25162 converting ccsdt_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK [4] 25163 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_18_2_2.F to 32-bit integers for BLAS/LAPACK [1] 25164 converting ccsdt_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK [2] 25165 converting ccsdt_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK [3] 25166 converting ccsdt_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK [4] 25167 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_18_4.F to 32-bit integers for BLAS/LAPACK [1] 25168 converting ccsdt_lambda1_18_5_1.F to 32-bit integers for BLAS/LAPACK [2] 25169 converting ccsdt_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK [3] 25170 converting ccsdt_lambda1_18_6_1_1.F to 32-bit integers for BLAS/LAPACK [4] 25171 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_18_6_1.F to 32-bit integers for BLAS/LAPACK [1] 25172 converting ccsdt_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK [2] 25173 converting ccsdt_lambda1_18.F to 32-bit integers for BLAS/LAPACK [3] 25174 converting ccsdt_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK [4] 25175 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_19.F to 32-bit integers for BLAS/LAPACK [1] 25176 converting ccsdt_lambda1_20_1_1.F to 32-bit integers for BLAS/LAPACK [2] 25177 converting ccsdt_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK [3] 25178 converting ccsdt_lambda1_20.F to 32-bit integers for BLAS/LAPACK [4] 25179 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_21_1_1.F to 32-bit integers for BLAS/LAPACK [1] 25180 converting ccsdt_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK [2] 25181 converting ccsdt_lambda1_21_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 25182 converting ccsdt_lambda1_21_2_1.F to 32-bit integers for BLAS/LAPACK [4] 25183 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_21_2.F to 32-bit integers for BLAS/LAPACK [1] 25184 converting ccsdt_lambda1_21.F to 32-bit integers for BLAS/LAPACK [2] 25185 converting ccsdt_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK [3] 25186 converting ccsdt_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK [4] 25187 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_2_3.F to 32-bit integers for BLAS/LAPACK [1] 25188 converting ccsdt_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK [2] 25189 converting ccsdt_lambda1_2.F to 32-bit integers for BLAS/LAPACK [3] 25190 converting ccsdt_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK [4] 25191 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 25192 converting ccsdt_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK [2] 25193 converting ccsdt_lambda1_3.F to 32-bit integers for BLAS/LAPACK [3] 25194 converting ccsdt_lambda1_4.F to 32-bit integers for BLAS/LAPACK [4] 25195 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK [1] 25196 converting ccsdt_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK [2] 25197 converting ccsdt_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK [3] 25198 converting ccsdt_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK [4] 25199 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_5_2.F to 32-bit integers for BLAS/LAPACK [1] 25200 converting ccsdt_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK [2] 25201 converting ccsdt_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK [3] 25202 converting ccsdt_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK [4] 25203 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_5_5_2.F to 32-bit integers for BLAS/LAPACK [1] 25204 converting ccsdt_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK [2] 25205 converting ccsdt_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK [3] 25206 converting ccsdt_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK [4] 25207 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_5_7.F to 32-bit integers for BLAS/LAPACK [1] 25208 converting ccsdt_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK [2] 25209 converting ccsdt_lambda1_5.F to 32-bit integers for BLAS/LAPACK [3] 25210 converting ccsdt_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK [4] 25211 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_6_2_2.F to 32-bit integers for BLAS/LAPACK [1] 25212 converting ccsdt_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK [2] 25213 converting ccsdt_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK [3] 25214 converting ccsdt_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK [4] 25215 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_6_3.F to 32-bit integers for BLAS/LAPACK [1] 25216 converting ccsdt_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK [2] 25217 converting ccsdt_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK [3] 25218 converting ccsdt_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK [4] 25219 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_6_5.F to 32-bit integers for BLAS/LAPACK [1] 25220 converting ccsdt_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK [2] 25221 converting ccsdt_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK [3] 25222 converting ccsdt_lambda1_6.F to 32-bit integers for BLAS/LAPACK [4] 25223 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_7_2.F to 32-bit integers for BLAS/LAPACK [1] 25224 converting ccsdt_lambda1_7.F to 32-bit integers for BLAS/LAPACK [2] 25225 converting ccsdt_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK [3] 25226 converting ccsdt_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK [4] 25227 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_11.F to 32-bit integers for BLAS/LAPACK [1] 25228 converting ccsdt_lambda1_8_12_1.F to 32-bit integers for BLAS/LAPACK [2] 25229 converting ccsdt_lambda1_8_12_2.F to 32-bit integers for BLAS/LAPACK [3] 25230 converting ccsdt_lambda1_8_12_3.F to 32-bit integers for BLAS/LAPACK [4] 25231 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_12.F to 32-bit integers for BLAS/LAPACK [1] 25232 converting ccsdt_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK [2] 25233 converting ccsdt_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK [3] 25234 converting ccsdt_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK [4] 25235 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_13.F to 32-bit integers for BLAS/LAPACK [1] 25236 converting ccsdt_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK [2] 25237 converting ccsdt_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK [3] 25238 converting ccsdt_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK [4] 25239 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_2_2_2_2.F to 32-bit integers for BLAS/LAPACK [1] 25240 converting ccsdt_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 25241 converting ccsdt_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK [3] 25242 converting ccsdt_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK [4] 25243 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_2_3_2.F to 32-bit integers for BLAS/LAPACK [1] 25244 converting ccsdt_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK [2] 25245 converting ccsdt_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK [3] 25246 converting ccsdt_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK [4] 25247 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_2_5.F to 32-bit integers for BLAS/LAPACK [1] 25248 converting ccsdt_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK [2] 25249 converting ccsdt_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK [3] 25250 converting ccsdt_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK [4] 25251 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_4_2_1.F to 32-bit integers for BLAS/LAPACK [1] 25252 converting ccsdt_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK [2] 25253 converting ccsdt_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK [3] 25254 converting ccsdt_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK [4] 25255 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_5_2.F to 32-bit integers for BLAS/LAPACK [1] 25256 converting ccsdt_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK [2] 25257 converting ccsdt_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK [3] 25258 converting ccsdt_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK [4] 25259 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_6_3.F to 32-bit integers for BLAS/LAPACK [1] 25260 converting ccsdt_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK [2] 25261 converting ccsdt_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK [3] 25262 converting ccsdt_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK [4] 25263 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_7.F to 32-bit integers for BLAS/LAPACK [1] 25264 converting ccsdt_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK [2] 25265 converting ccsdt_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK [3] 25266 converting ccsdt_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK [4] 25267 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8.F to 32-bit integers for BLAS/LAPACK [1] 25268 converting ccsdt_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK [2] 25269 converting ccsdt_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK [3] 25270 converting ccsdt_lambda1_9_4_1.F to 32-bit integers for BLAS/LAPACK [4] 25271 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_9_4_2.F to 32-bit integers for BLAS/LAPACK [1] 25272 converting ccsdt_lambda1_9_4_3.F to 32-bit integers for BLAS/LAPACK [2] 25273 converting ccsdt_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK [3] 25274 converting ccsdt_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK [4] 25275 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_9_5_2.F to 32-bit integers for BLAS/LAPACK [1] 25276 converting ccsdt_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK [2] 25277 converting ccsdt_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK [3] 25278 converting ccsdt_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK [4] 25279 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_9.F to 32-bit integers for BLAS/LAPACK [1] 25280 converting ccsdt_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 25281 converting ccsdt_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK [3] 25282 converting ccsdt_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK [4] 25283 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_10_2_4.F to 32-bit integers for BLAS/LAPACK [1] 25284 converting ccsdt_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK [2] 25285 converting ccsdt_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK [3] 25286 converting ccsdt_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK [4] 25287 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_10_3.F to 32-bit integers for BLAS/LAPACK [1] 25288 converting ccsdt_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK [2] 25289 converting ccsdt_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK [3] 25290 converting ccsdt_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK [4] 25291 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_10_6.F to 32-bit integers for BLAS/LAPACK [1] 25292 converting ccsdt_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK [2] 25293 converting ccsdt_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK [3] 25294 converting ccsdt_lambda2_10.F to 32-bit integers for BLAS/LAPACK [4] 25295 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_11_2_2_2.F to 32-bit integers for BLAS/LAPACK [1] 25296 converting ccsdt_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK [2] 25297 converting ccsdt_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK [3] 25298 converting ccsdt_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK [4] 25299 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_11_3_2.F to 32-bit integers for BLAS/LAPACK [1] 25300 converting ccsdt_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK [2] 25301 converting ccsdt_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK [3] 25302 converting ccsdt_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK [4] 25303 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_11_5_2.F to 32-bit integers for BLAS/LAPACK [1] 25304 converting ccsdt_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK [2] 25305 converting ccsdt_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK [3] 25306 converting ccsdt_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK [4] 25307 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_11.F to 32-bit integers for BLAS/LAPACK [1] 25308 converting ccsdt_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK [2] 25309 converting ccsdt_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK [3] 25310 converting ccsdt_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK [4] 25311 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_12_4.F to 32-bit integers for BLAS/LAPACK [1] 25312 converting ccsdt_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK [2] 25313 converting ccsdt_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK [3] 25314 converting ccsdt_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK [4] 25315 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_12_7_1.F to 32-bit integers for BLAS/LAPACK [1] 25316 converting ccsdt_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK [2] 25317 converting ccsdt_lambda2_12.F to 32-bit integers for BLAS/LAPACK [3] 25318 converting ccsdt_lambda2_13_1.F to 32-bit integers for BLAS/LAPACK [4] 25319 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_13_2.F to 32-bit integers for BLAS/LAPACK [1] 25320 converting ccsdt_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK [2] 25321 converting ccsdt_lambda2_13.F to 32-bit integers for BLAS/LAPACK [3] 25322 converting ccsdt_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK [4] 25323 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_14_2.F to 32-bit integers for BLAS/LAPACK [1] 25324 converting ccsdt_lambda2_14.F to 32-bit integers for BLAS/LAPACK [2] 25325 converting ccsdt_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK [3] 25326 converting ccsdt_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK [4] 25327 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_15.F to 32-bit integers for BLAS/LAPACK [1] 25328 converting ccsdt_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK [2] 25329 converting ccsdt_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK [3] 25330 converting ccsdt_lambda2_16.F to 32-bit integers for BLAS/LAPACK [4] 25331 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_17_1.F to 32-bit integers for BLAS/LAPACK [1] 25332 converting ccsdt_lambda2_17.F to 32-bit integers for BLAS/LAPACK [2] 25333 converting ccsdt_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK [3] 25334 converting ccsdt_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK [4] 25335 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_18.F to 32-bit integers for BLAS/LAPACK [1] 25336 converting ccsdt_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK [2] 25337 converting ccsdt_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK [3] 25338 converting ccsdt_lambda2_19_3_1.F to 32-bit integers for BLAS/LAPACK [4] 25339 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_19_3.F to 32-bit integers for BLAS/LAPACK [1] 25340 converting ccsdt_lambda2_19_4_1.F to 32-bit integers for BLAS/LAPACK [2] 25341 converting ccsdt_lambda2_19_4.F to 32-bit integers for BLAS/LAPACK [3] 25342 converting ccsdt_lambda2_19.F to 32-bit integers for BLAS/LAPACK [4] 25343 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_20_1.F to 32-bit integers for BLAS/LAPACK [1] 25344 converting ccsdt_lambda2_20.F to 32-bit integers for BLAS/LAPACK [2] 25345 converting ccsdt_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK [3] 25346 converting ccsdt_lambda2_21.F to 32-bit integers for BLAS/LAPACK [4] 25347 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_22_1.F to 32-bit integers for BLAS/LAPACK [1] 25348 converting ccsdt_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 25349 converting ccsdt_lambda2_22.F to 32-bit integers for BLAS/LAPACK [3] 25350 converting ccsdt_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK [4] 25351 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_23_2_1.F to 32-bit integers for BLAS/LAPACK [1] 25352 converting ccsdt_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK [2] 25353 converting ccsdt_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK [3] 25354 converting ccsdt_lambda2_23_3_1.F to 32-bit integers for BLAS/LAPACK [4] 25355 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_23_3.F to 32-bit integers for BLAS/LAPACK [1] 25356 converting ccsdt_lambda2_23.F to 32-bit integers for BLAS/LAPACK [2] 25357 converting ccsdt_lambda2_24_1_1.F to 32-bit integers for BLAS/LAPACK [3] 25358 converting ccsdt_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK [4] 25359 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_24.F to 32-bit integers for BLAS/LAPACK [1] 25360 converting ccsdt_lambda2_25_1_1.F to 32-bit integers for BLAS/LAPACK [2] 25361 converting ccsdt_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK [3] 25362 converting ccsdt_lambda2_25.F to 32-bit integers for BLAS/LAPACK [4] 25363 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_26_1_1.F to 32-bit integers for BLAS/LAPACK [1] 25364 converting ccsdt_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK [2] 25365 converting ccsdt_lambda2_26_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 25366 converting ccsdt_lambda2_26_2_1.F to 32-bit integers for BLAS/LAPACK [4] 25367 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_26_2.F to 32-bit integers for BLAS/LAPACK [1] 25368 converting ccsdt_lambda2_26.F to 32-bit integers for BLAS/LAPACK [2] 25369 converting ccsdt_lambda2_2.F to 32-bit integers for BLAS/LAPACK [3] 25370 converting ccsdt_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK [4] 25371 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_3.F to 32-bit integers for BLAS/LAPACK [1] 25372 converting ccsdt_lambda2_4.F to 32-bit integers for BLAS/LAPACK [2] 25373 converting ccsdt_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK [3] 25374 converting ccsdt_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK [4] 25375 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_5_3.F to 32-bit integers for BLAS/LAPACK [1] 25376 converting ccsdt_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK [2] 25377 converting ccsdt_lambda2_5.F to 32-bit integers for BLAS/LAPACK [3] 25378 converting ccsdt_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK [4] 25379 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_6_3.F to 32-bit integers for BLAS/LAPACK [1] 25380 converting ccsdt_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 25381 converting ccsdt_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK [3] 25382 converting ccsdt_lambda2_6.F to 32-bit integers for BLAS/LAPACK [4] 25383 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_7_2_2.F to 32-bit integers for BLAS/LAPACK [1] 25384 converting ccsdt_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK [2] 25385 converting ccsdt_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK [3] 25386 converting ccsdt_lambda2_7.F to 32-bit integers for BLAS/LAPACK [4] 25387 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_8_2.F to 32-bit integers for BLAS/LAPACK [1] 25388 converting ccsdt_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK [2] 25389 converting ccsdt_lambda2_8.F to 32-bit integers for BLAS/LAPACK [3] 25390 converting ccsdt_lambda2_9.F to 32-bit integers for BLAS/LAPACK [4] 25391 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda3.F to 32-bit integers for BLAS/LAPACK [1] 25392 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' Making 64_to_32 in eomccsdt make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 eomccsdt_denominator.F eomccsdt_density1_1_1.F eomccsdt_density1_1_2.F eomccsdt_density1_1_3.F eomccsdt_density1_1.F eomccsdt_density1_2_1.F eomccsdt_density1_2_2_1.F eomccsdt_density1_2_2.F eomccsdt_density1_2.F eomccsdt_density1_3_1.F eomccsdt_density1_3_2.F eomccsdt_density1_3_3.F eomccsdt_density1_3_4_1.F eomccsdt_density1_3_4_2.F eomccsdt_density1_3_4_3.F eomccsdt_density1_3_4.F eomccsdt_density1_3_5_1.F eomccsdt_density1_3_5_2.F eomccsdt_density1_3_5.F eomccsdt_density1_3_6_1.F eomccsdt_density1_3_6.F eomccsdt_density1_3.F eomccsdt_density1_4_1.F eomccsdt_density1_4_2_1.F eomccsdt_density1_4_2.F eomccsdt_density1_4.F eomccsdt_density1_5_10_1.F eomccsdt_density1_5_10_2_1.F eomccsdt_density1_5_10_2_2.F eomccsdt_density1_5_10_2.F eomccsdt_density1_5_10_3_1.F eomccsdt_density1_5_10_3.F eomccsdt_density1_5_10.F eomccsdt_density1_5_11_1.F eomccsdt_density1_5_11.F eomccsdt_density1_5_12_1.F eomccsdt_density1_5_12.F eomccsdt_density1_5_13_1_1.F eomccsdt_density1_5_13_1.F eomccsdt_density1_5_13.F eomccsdt_density1_5_1.F eomccsdt_density1_5_2.F eomccsdt_density1_5_3_1.F eomccsdt_density1_5_3_2.F eomccsdt_density1_5_3_3.F eomccsdt_density1_5_3_4_1.F eomccsdt_density1_5_3_4_2.F eomccsdt_density1_5_3_4_3.F eomccsdt_density1_5_3_4.F eomccsdt_density1_5_3_5_1.F eomccsdt_density1_5_3_5_2.F eomccsdt_density1_5_3_5.F eomccsdt_density1_5_3_6_1.F eomccsdt_density1_5_3_6.F eomccsdt_density1_5_3.F eomccsdt_density1_5_4_1.F eomccsdt_density1_5_4_2.F eomccsdt_density1_5_4_3.F eomccsdt_density1_5_4.F eomccsdt_density1_5_5_1.F eomccsdt_density1_5_5_2.F eomccsdt_density1_5_5_3.F eomccsdt_density1_5_5.F eomccsdt_density1_5_6_1.F eomccsdt_density1_5_6_2.F eomccsdt_density1_5_6.F eomccsdt_density1_5_7_1.F eomccsdt_density1_5_7.F eomccsdt_density1_5_8_1.F eomccsdt_density1_5_8_2.F eomccsdt_density1_5_8_3.F eomccsdt_density1_5_8.F eomccsdt_density1_5_9_1.F eomccsdt_density1_5_9_2.F eomccsdt_density1_5_9.F eomccsdt_density1_5.F eomccsdt_density1_6_1.F eomccsdt_density1_6_2.F eomccsdt_density1_6_3_1.F eomccsdt_density1_6_3_2.F eomccsdt_density1_6_3.F eomccsdt_density1_6_4_1.F eomccsdt_density1_6_4_2.F eomccsdt_density1_6_4.F eomccsdt_density1_6_5_1.F eomccsdt_density1_6_5.F eomccsdt_density1_6.F eomccsdt_x1a.F eomccsdt_x1.F eomccsdt_x2a_all12.F eomccsdt_x2a_all15.F eomccsdt_x2a_all18.F eomccsdt_x2a_all3.F eomccsdt_x2a_all6.F eomccsdt_x2a_all9.F eomccsdt_x2_all12.F eomccsdt_x2_all15.F eomccsdt_x2_all18.F eomccsdt_x2_all3.F eomccsdt_x2_all6.F eomccsdt_x2_all9.F eomccsdt_x3a_all12.F eomccsdt_x3a_all15.F eomccsdt_x3a_all17.F eomccsdt_x3a_all3.F eomccsdt_x3a_all6.F eomccsdt_x3a_all9.F eomccsdt_x3_all12.F eomccsdt_x3_all15.F eomccsdt_x3_all17.F eomccsdt_x3_all3.F eomccsdt_x3_all6.F eomccsdt_x3_all9.F eomccsdt_y1_all12.F eomccsdt_y1_all15.F eomccsdt_y1_all18.F eomccsdt_y1_all20.F eomccsdt_y1_all3.F eomccsdt_y1_all6.F eomccsdt_y1_all9.F eomccsdt_y2_all12.F eomccsdt_y2_all15.F eomccsdt_y2_all18.F eomccsdt_y2_all21.F eomccsdt_y2_all24.F eomccsdt_y2_all25.F eomccsdt_y2_all3.F eomccsdt_y2_all6.F eomccsdt_y2_all9.F eomccsdt_y3.F converting eomccsdt_denominator.F to 32-bit integers for BLAS/LAPACK [1] 28262 converting eomccsdt_density1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 28263 converting eomccsdt_density1_1_2.F to 32-bit integers for BLAS/LAPACK [3] 28264 converting eomccsdt_density1_1_3.F to 32-bit integers for BLAS/LAPACK [4] 28265 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_1.F to 32-bit integers for BLAS/LAPACK [1] 28271 converting eomccsdt_density1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 28272 converting eomccsdt_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK [3] 28273 converting eomccsdt_density1_2_2.F to 32-bit integers for BLAS/LAPACK [4] 28274 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_2.F to 32-bit integers for BLAS/LAPACK [1] 28275 converting eomccsdt_density1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 28276 converting eomccsdt_density1_3_2.F to 32-bit integers for BLAS/LAPACK [3] 28277 converting eomccsdt_density1_3_3.F to 32-bit integers for BLAS/LAPACK [4] 28278 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_3_4_1.F to 32-bit integers for BLAS/LAPACK [1] 28279 converting eomccsdt_density1_3_4_2.F to 32-bit integers for BLAS/LAPACK [2] 28280 converting eomccsdt_density1_3_4_3.F to 32-bit integers for BLAS/LAPACK [3] 28281 converting eomccsdt_density1_3_4.F to 32-bit integers for BLAS/LAPACK [4] 28282 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_3_5_1.F to 32-bit integers for BLAS/LAPACK [1] 28283 converting eomccsdt_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK [2] 28284 converting eomccsdt_density1_3_5.F to 32-bit integers for BLAS/LAPACK [3] 28285 converting eomccsdt_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK [4] 28286 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_3_6.F to 32-bit integers for BLAS/LAPACK [1] 28287 converting eomccsdt_density1_3.F to 32-bit integers for BLAS/LAPACK [2] 28288 converting eomccsdt_density1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 28289 converting eomccsdt_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK [4] 28290 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_4_2.F to 32-bit integers for BLAS/LAPACK [1] 28291 converting eomccsdt_density1_4.F to 32-bit integers for BLAS/LAPACK [2] 28292 converting eomccsdt_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK [3] 28293 converting eomccsdt_density1_5_10_2_1.F to 32-bit integers for BLAS/LAPACK [4] 28294 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_10_2_2.F to 32-bit integers for BLAS/LAPACK [1] 28295 converting eomccsdt_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK [2] 28296 converting eomccsdt_density1_5_10_3_1.F to 32-bit integers for BLAS/LAPACK [3] 28297 converting eomccsdt_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK [4] 28298 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_10.F to 32-bit integers for BLAS/LAPACK [1] 28299 converting eomccsdt_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK [2] 28300 converting eomccsdt_density1_5_11.F to 32-bit integers for BLAS/LAPACK [3] 28301 converting eomccsdt_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK [4] 28302 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_12.F to 32-bit integers for BLAS/LAPACK [1] 28303 converting eomccsdt_density1_5_13_1_1.F to 32-bit integers for BLAS/LAPACK [2] 28304 converting eomccsdt_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK [3] 28305 converting eomccsdt_density1_5_13.F to 32-bit integers for BLAS/LAPACK [4] 28306 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_1.F to 32-bit integers for BLAS/LAPACK [1] 28307 converting eomccsdt_density1_5_2.F to 32-bit integers for BLAS/LAPACK [2] 28308 converting eomccsdt_density1_5_3_1.F to 32-bit integers for BLAS/LAPACK [3] 28309 converting eomccsdt_density1_5_3_2.F to 32-bit integers for BLAS/LAPACK [4] 28310 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_3_3.F to 32-bit integers for BLAS/LAPACK [1] 28311 converting eomccsdt_density1_5_3_4_1.F to 32-bit integers for BLAS/LAPACK [2] 28312 converting eomccsdt_density1_5_3_4_2.F to 32-bit integers for BLAS/LAPACK [3] 28313 converting eomccsdt_density1_5_3_4_3.F to 32-bit integers for BLAS/LAPACK [4] 28314 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_3_4.F to 32-bit integers for BLAS/LAPACK [1] 28315 converting eomccsdt_density1_5_3_5_1.F to 32-bit integers for BLAS/LAPACK [2] 28316 converting eomccsdt_density1_5_3_5_2.F to 32-bit integers for BLAS/LAPACK [3] 28317 converting eomccsdt_density1_5_3_5.F to 32-bit integers for BLAS/LAPACK [4] 28318 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_3_6_1.F to 32-bit integers for BLAS/LAPACK [1] 28319 converting eomccsdt_density1_5_3_6.F to 32-bit integers for BLAS/LAPACK [2] 28320 converting eomccsdt_density1_5_3.F to 32-bit integers for BLAS/LAPACK [3] 28321 converting eomccsdt_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK [4] 28322 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_4_2.F to 32-bit integers for BLAS/LAPACK [1] 28323 converting eomccsdt_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK [2] 28324 converting eomccsdt_density1_5_4.F to 32-bit integers for BLAS/LAPACK [3] 28325 converting eomccsdt_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK [4] 28326 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_5_2.F to 32-bit integers for BLAS/LAPACK [1] 28327 converting eomccsdt_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK [2] 28328 converting eomccsdt_density1_5_5.F to 32-bit integers for BLAS/LAPACK [3] 28329 converting eomccsdt_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK [4] 28330 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_6_2.F to 32-bit integers for BLAS/LAPACK [1] 28331 converting eomccsdt_density1_5_6.F to 32-bit integers for BLAS/LAPACK [2] 28332 converting eomccsdt_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK [3] 28333 converting eomccsdt_density1_5_7.F to 32-bit integers for BLAS/LAPACK [4] 28334 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_8_1.F to 32-bit integers for BLAS/LAPACK [1] 28335 converting eomccsdt_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK [2] 28336 converting eomccsdt_density1_5_8_3.F to 32-bit integers for BLAS/LAPACK [3] 28337 converting eomccsdt_density1_5_8.F to 32-bit integers for BLAS/LAPACK [4] 28338 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_9_1.F to 32-bit integers for BLAS/LAPACK [1] 28339 converting eomccsdt_density1_5_9_2.F to 32-bit integers for BLAS/LAPACK [2] 28340 converting eomccsdt_density1_5_9.F to 32-bit integers for BLAS/LAPACK [3] 28341 converting eomccsdt_density1_5.F to 32-bit integers for BLAS/LAPACK [4] 28342 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_6_1.F to 32-bit integers for BLAS/LAPACK [1] 28343 converting eomccsdt_density1_6_2.F to 32-bit integers for BLAS/LAPACK [2] 28344 converting eomccsdt_density1_6_3_1.F to 32-bit integers for BLAS/LAPACK [3] 28345 converting eomccsdt_density1_6_3_2.F to 32-bit integers for BLAS/LAPACK [4] 28346 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_6_3.F to 32-bit integers for BLAS/LAPACK [1] 28347 converting eomccsdt_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 28348 converting eomccsdt_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK [3] 28349 converting eomccsdt_density1_6_4.F to 32-bit integers for BLAS/LAPACK [4] 28350 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_6_5_1.F to 32-bit integers for BLAS/LAPACK [1] 28351 converting eomccsdt_density1_6_5.F to 32-bit integers for BLAS/LAPACK [2] 28352 converting eomccsdt_density1_6.F to 32-bit integers for BLAS/LAPACK [3] 28353 converting eomccsdt_x1a.F to 32-bit integers for BLAS/LAPACK [4] 28354 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x1.F to 32-bit integers for BLAS/LAPACK [1] 28355 converting eomccsdt_x2a_all12.F to 32-bit integers for BLAS/LAPACK [2] 28356 converting eomccsdt_x2a_all15.F to 32-bit integers for BLAS/LAPACK [3] 28357 converting eomccsdt_x2a_all18.F to 32-bit integers for BLAS/LAPACK [4] 28358 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x2a_all3.F to 32-bit integers for BLAS/LAPACK [1] 28359 converting eomccsdt_x2a_all6.F to 32-bit integers for BLAS/LAPACK [2] 28360 converting eomccsdt_x2a_all9.F to 32-bit integers for BLAS/LAPACK [3] 28361 converting eomccsdt_x2_all12.F to 32-bit integers for BLAS/LAPACK [4] 28362 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x2_all15.F to 32-bit integers for BLAS/LAPACK [1] 28363 converting eomccsdt_x2_all18.F to 32-bit integers for BLAS/LAPACK [2] 28364 converting eomccsdt_x2_all3.F to 32-bit integers for BLAS/LAPACK [3] 28365 converting eomccsdt_x2_all6.F to 32-bit integers for BLAS/LAPACK [4] 28366 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x2_all9.F to 32-bit integers for BLAS/LAPACK [1] 28367 converting eomccsdt_x3a_all12.F to 32-bit integers for BLAS/LAPACK [2] 28368 converting eomccsdt_x3a_all15.F to 32-bit integers for BLAS/LAPACK [3] 28369 converting eomccsdt_x3a_all17.F to 32-bit integers for BLAS/LAPACK [4] 28370 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x3a_all3.F to 32-bit integers for BLAS/LAPACK [1] 28371 converting eomccsdt_x3a_all6.F to 32-bit integers for BLAS/LAPACK [2] 28372 converting eomccsdt_x3a_all9.F to 32-bit integers for BLAS/LAPACK [3] 28373 converting eomccsdt_x3_all12.F to 32-bit integers for BLAS/LAPACK [4] 28374 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x3_all15.F to 32-bit integers for BLAS/LAPACK [1] 28375 converting eomccsdt_x3_all17.F to 32-bit integers for BLAS/LAPACK [2] 28376 converting eomccsdt_x3_all3.F to 32-bit integers for BLAS/LAPACK [3] 28377 converting eomccsdt_x3_all6.F to 32-bit integers for BLAS/LAPACK [4] 28378 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x3_all9.F to 32-bit integers for BLAS/LAPACK [1] 28379 converting eomccsdt_y1_all12.F to 32-bit integers for BLAS/LAPACK [2] 28380 converting eomccsdt_y1_all15.F to 32-bit integers for BLAS/LAPACK [3] 28381 converting eomccsdt_y1_all18.F to 32-bit integers for BLAS/LAPACK [4] 28382 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_y1_all20.F to 32-bit integers for BLAS/LAPACK [1] 28383 converting eomccsdt_y1_all3.F to 32-bit integers for BLAS/LAPACK [2] 28384 converting eomccsdt_y1_all6.F to 32-bit integers for BLAS/LAPACK [3] 28385 converting eomccsdt_y1_all9.F to 32-bit integers for BLAS/LAPACK [4] 28386 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_y2_all12.F to 32-bit integers for BLAS/LAPACK [1] 28390 converting eomccsdt_y2_all15.F to 32-bit integers for BLAS/LAPACK [2] 28391 converting eomccsdt_y2_all18.F to 32-bit integers for BLAS/LAPACK [3] 28392 converting eomccsdt_y2_all21.F to 32-bit integers for BLAS/LAPACK [4] 28393 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_y2_all24.F to 32-bit integers for BLAS/LAPACK [1] 29197 converting eomccsdt_y2_all25.F to 32-bit integers for BLAS/LAPACK [2] 29198 converting eomccsdt_y2_all3.F to 32-bit integers for BLAS/LAPACK [3] 29199 converting eomccsdt_y2_all6.F to 32-bit integers for BLAS/LAPACK [4] 29200 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_y2_all9.F to 32-bit integers for BLAS/LAPACK [1] 29214 converting eomccsdt_y3.F to 32-bit integers for BLAS/LAPACK [2] 29215 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' Making 64_to_32 in ccsd_act make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 ccsd_ea.F ccsd_t1a.F ccsd_t2a.F diag1_act2.F diag2_act2.F converting ccsd_ea.F to 32-bit integers for BLAS/LAPACK [1] 32080 converting ccsd_t1a.F to 32-bit integers for BLAS/LAPACK [2] 32081 converting ccsd_t2a.F to 32-bit integers for BLAS/LAPACK [3] 32082 converting diag1_act2.F to 32-bit integers for BLAS/LAPACK [4] 32083 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting diag2_act2.F to 32-bit integers for BLAS/LAPACK [1] 32084 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' Making 64_to_32 in eomccsd_act make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 eomccsd_x1a.F eomccsd_x2a.F q2na_hc1.F converting eomccsd_x1a.F to 32-bit integers for BLAS/LAPACK [1] 2484 converting eomccsd_x2a.F to 32-bit integers for BLAS/LAPACK [2] 2485 converting q2na_hc1.F to 32-bit integers for BLAS/LAPACK [3] 2486 [3] + Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' Making 64_to_32 in cr_eomccsd_t_act make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 cr_ccsd_t_E_act.F q3rexpt2_act.F cr_ccsd_t_N_act.F creomccsd_t_n2_act_mem.F cr_eomt_simac.F ccsd_t_d_act.F cr_eomccsd_t_act.F cr_eomccsd_tasim.F converting cr_ccsd_t_E_act.F to 32-bit integers for BLAS/LAPACK [1] 5431 converting q3rexpt2_act.F to 32-bit integers for BLAS/LAPACK [2] 5432 converting cr_ccsd_t_N_act.F to 32-bit integers for BLAS/LAPACK [3] 5433 converting creomccsd_t_n2_act_mem.F to 32-bit integers for BLAS/LAPACK [4] 5434 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomt_simac.F to 32-bit integers for BLAS/LAPACK [1] 5435 converting ccsd_t_d_act.F to 32-bit integers for BLAS/LAPACK [2] 5436 converting cr_eomccsd_t_act.F to 32-bit integers for BLAS/LAPACK [3] 5437 converting cr_eomccsd_tasim.F to 32-bit integers for BLAS/LAPACK [4] 5438 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' Making 64_to_32 in sort make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 tce_mbpt2.F tce_residual_t1.F tce_residual_t2.F tce_residual_t3.F tce_residual_t4.F tce_residual_t3a.F tce_ao2e.F tce_mo2e.F tce_guess_t1.F tce_mod1.F tce_moq1.F tce_eom_xdiagon.F dscalfile.F tce_eom_ydiagon.F tce_ao1e.F tce_aod1.F tce_aoq1.F tce_mo1e.F tce_ao_mp1.F tce_mo_mp1.F tce_mo2e_zones_4a_disk_ga.F tce_mo2e_zones_4a_disk_ga_chop.F tce_mo2e_zones_4a_disk_4s_new_patch.F tce_mo2e_zones_4a_disk_2s_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m2.F tce_mo2e_2emet3.F tce_mo2e_2emet3_n5.F tce_mo2e_2emet4.F tce_mo2e_2emet4_n5.F tce_mo2e_disk_2eorb.F tce_mo2e_incore_2eorb.F tce_mo2e_incore_2eorb_split.F tce_mo2e_hybrid_2eorb_split.F tce_diagnose_t1.F ddotfile.F tce_ao2e_cholesky.F tce_energy.F ccsd_imaginary.F ccsd_lr_alpha.F tensor_read_write.F tce_diis_act.F tce_mo2e_zones_4a_disk_ga_act.F tce_mo2e_zones_4a_disk_ga_chop_act.F ccsd_qr_beta.F daxpyfile.F tce_ao2e_cholesky_orb.F tce_ao2e_disk.F tce_ao2e_new.F tce_dgeev.F tce_mo2e_disk.F tce_mo2e_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m3.F tce_mo2e_zones_4a_disk_ga_N5.F tce_mo2e_zones_4a_disk_ga_chop_N5.F tce_mod1_new.F new_ga4ind_N5.F converting tce_mbpt2.F to 32-bit integers for BLAS/LAPACK [1] 8469 converting tce_residual_t1.F to 32-bit integers for BLAS/LAPACK [2] 8470 converting tce_residual_t2.F to 32-bit integers for BLAS/LAPACK [3] 8471 converting tce_residual_t3.F to 32-bit integers for BLAS/LAPACK [4] 8472 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_residual_t4.F to 32-bit integers for BLAS/LAPACK [1] 8473 converting tce_residual_t3a.F to 32-bit integers for BLAS/LAPACK [2] 8474 converting tce_ao2e.F to 32-bit integers for BLAS/LAPACK [3] 8475 converting tce_mo2e.F to 32-bit integers for BLAS/LAPACK [4] 8476 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_guess_t1.F to 32-bit integers for BLAS/LAPACK [1] 8477 converting tce_mod1.F to 32-bit integers for BLAS/LAPACK [2] 8478 converting tce_moq1.F to 32-bit integers for BLAS/LAPACK [3] 8479 converting tce_eom_xdiagon.F to 32-bit integers for BLAS/LAPACK [4] 8480 Could not open file: tce_moq1.F.8479 [4] Done ( $perlexe $perlscript $file ) [3] + Exit 2 ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dscalfile.F to 32-bit integers for BLAS/LAPACK [1] 8482 converting tce_eom_ydiagon.F to 32-bit integers for BLAS/LAPACK [2] 8483 converting tce_ao1e.F to 32-bit integers for BLAS/LAPACK [3] 8484 converting tce_aod1.F to 32-bit integers for BLAS/LAPACK [4] 8485 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_aoq1.F to 32-bit integers for BLAS/LAPACK [1] 8486 converting tce_mo1e.F to 32-bit integers for BLAS/LAPACK [2] 8487 converting tce_ao_mp1.F to 32-bit integers for BLAS/LAPACK [3] 8488 converting tce_mo_mp1.F to 32-bit integers for BLAS/LAPACK [4] 8489 Could not open file: tce_aoq1.F.8486 Could not open file: tce_ao_mp1.F.8488 Could not open file: tce_mo_mp1.F.8489 [4] - Exit 2 ( $perlexe $perlscript $file ) [3] + Exit 2 ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Exit 2 ( $perlexe $perlscript $file ) converting tce_mo2e_zones_4a_disk_ga.F to 32-bit integers for BLAS/LAPACK [1] 8490 converting tce_mo2e_zones_4a_disk_ga_chop.F to 32-bit integers for BLAS/LAPACK [2] 8491 converting tce_mo2e_zones_4a_disk_4s_new_patch.F to 32-bit integers for BLAS/LAPACK [3] 8492 converting tce_mo2e_zones_4a_disk_2s_new.F to 32-bit integers for BLAS/LAPACK [4] 8493 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_zones_4a_disk_4s_new_patch_m2.F to 32-bit integers for BLAS/LAPACK [1] 8494 converting tce_mo2e_2emet3.F to 32-bit integers for BLAS/LAPACK [2] 8495 converting tce_mo2e_2emet3_n5.F to 32-bit integers for BLAS/LAPACK [3] 8496 converting tce_mo2e_2emet4.F to 32-bit integers for BLAS/LAPACK [4] 8497 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_2emet4_n5.F to 32-bit integers for BLAS/LAPACK [1] 8498 converting tce_mo2e_disk_2eorb.F to 32-bit integers for BLAS/LAPACK [2] 8499 converting tce_mo2e_incore_2eorb.F to 32-bit integers for BLAS/LAPACK [3] 8500 converting tce_mo2e_incore_2eorb_split.F to 32-bit integers for BLAS/LAPACK [4] 8501 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_hybrid_2eorb_split.F to 32-bit integers for BLAS/LAPACK [1] 8502 converting tce_diagnose_t1.F to 32-bit integers for BLAS/LAPACK [2] 8503 converting ddotfile.F to 32-bit integers for BLAS/LAPACK [3] 8512 converting tce_ao2e_cholesky.F to 32-bit integers for BLAS/LAPACK [4] 8513 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_energy.F to 32-bit integers for BLAS/LAPACK [1] 8514 converting ccsd_imaginary.F to 32-bit integers for BLAS/LAPACK [2] 8515 converting ccsd_lr_alpha.F to 32-bit integers for BLAS/LAPACK [3] 8516 converting tensor_read_write.F to 32-bit integers for BLAS/LAPACK [4] 8517 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_diis_act.F to 32-bit integers for BLAS/LAPACK [1] 8518 converting tce_mo2e_zones_4a_disk_ga_act.F to 32-bit integers for BLAS/LAPACK [2] 8519 converting tce_mo2e_zones_4a_disk_ga_chop_act.F to 32-bit integers for BLAS/LAPACK [3] 8520 converting ccsd_qr_beta.F to 32-bit integers for BLAS/LAPACK [4] 8521 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting daxpyfile.F to 32-bit integers for BLAS/LAPACK [1] 8522 converting tce_ao2e_cholesky_orb.F to 32-bit integers for BLAS/LAPACK [2] 8523 converting tce_ao2e_disk.F to 32-bit integers for BLAS/LAPACK [3] 8524 converting tce_ao2e_new.F to 32-bit integers for BLAS/LAPACK [4] 8525 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_dgeev.F to 32-bit integers for BLAS/LAPACK [1] 8526 converting tce_mo2e_disk.F to 32-bit integers for BLAS/LAPACK [2] 8527 converting tce_mo2e_new.F to 32-bit integers for BLAS/LAPACK [3] 8528 converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F to 32-bit integers for BLAS/LAPACK [4] 8529 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_zones_4a_disk_ga_N5.F to 32-bit integers for BLAS/LAPACK [1] 8530 converting tce_mo2e_zones_4a_disk_ga_chop_N5.F to 32-bit integers for BLAS/LAPACK [2] 8531 converting tce_mod1_new.F to 32-bit integers for BLAS/LAPACK [3] 8532 converting new_ga4ind_N5.F to 32-bit integers for BLAS/LAPACK [4] 8533 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK [1] 11675 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 mm_input.F converting mm_input.F to 32-bit integers for BLAS/LAPACK [1] 14847 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/config/64_to_32 gibbs.F converting gibbs.F to 32-bit integers for BLAS/LAPACK [1] 23448 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../basis -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' touch 64_to_32 make FC=ftn test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64 || mkdir -p /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64 test -d /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64 || mkdir -p /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64 ./util/util_nwchem_version.bash Making libraries in tools make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools' rm -f ./*.FC.stamp echo "" > ftn.FC.stamp rm -f ./*.CC.stamp echo "" > cc.CC.stamp rm -rf build install rm -f ./*.DIR.stamp echo "" > ga-5-4.DIR.stamp *** Configuring Parallel Tools **** ../ga-5-4/configure --prefix=/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install --with-tcgmsg --with-mpi --enable-peigs --enable-underscoring --disable-mpi-tests --with-scalapack=-lsci_gnu --with-lapack=-lsci_gnu --with-blas8=-lsci_gnu --with-mpi-pr CC=cc MPICC=cc CXX=CC MPICXX=CC F77=ftn MPIF77=ftn ARMCI_DEFAULT_SHMMAX_UBOUND=131072 checking build system type... x86_64-unknown-linux-gnu checking host system type... x86_64-unknown-linux-gnu checking for TARGET base (64bit-ness checked later)... 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(cached) yes checking stdio.h usability... yes checking stdio.h presence... yes checking for stdio.h... yes checking for stdlib.h... (cached) yes checking for string.h... (cached) yes checking for strings.h... 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(cached) yes checking sys/statvfs.h usability... yes checking sys/statvfs.h presence... yes checking for sys/statvfs.h... yes checking sys/time.h usability... yes checking sys/time.h presence... yes checking for sys/time.h... yes checking for sys/types.h... (cached) yes checking sys/vfs.h usability... yes checking sys/vfs.h presence... yes checking for sys/vfs.h... yes checking time.h usability... yes checking time.h presence... yes checking for time.h... yes checking for unistd.h... (cached) yes checking windows.h usability... no checking windows.h presence... no checking for windows.h... no checking for an ANSI C-conforming const... yes checking for inline... inline checking for C/C++ restrict keyword... __restrict checking for working volatile... yes checking for int64_t... yes checking for long double... yes checking for off_t... yes checking for pid_t... yes checking return type of signal handlers... void checking for size_t... yes checking for special C compiler options needed for large files... no checking for _FILE_OFFSET_BITS value needed for large files... no checking for _LARGEFILE_SOURCE value needed for large files... no checking for preprocessor symbol for function name... __func__ checking for C global variable containing the name of the program... __progname checking whether cc supports #pragma weak... yes checking for union semun in sys/sem.h... no checking for -fno-aggressive-loop-optimizations support in C compiler... -fno-aggressive-loop-optimizations checking size of void*... 8 checking size of char... 1 checking size of short... 2 checking size of int... 4 checking size of long... 8 checking size of long long... 8 checking size of float... 4 checking size of double... 8 checking size of long double... 16 checking for smallest C integer matching void*... long checking vfork.h usability... no checking vfork.h presence... no checking for vfork.h... no checking for fork... yes checking for vfork... yes checking for working fork... yes checking for working vfork... (cached) yes checking for stdlib.h... (cached) yes checking for unistd.h... (cached) yes checking for sys/param.h... (cached) yes checking for getpagesize... yes checking for working mmap... yes checking sys/select.h usability... yes checking sys/select.h presence... yes checking for sys/select.h... yes checking sys/socket.h usability... yes checking sys/socket.h presence... yes checking for sys/socket.h... yes checking types of arguments for select... int,fd_set *,struct timeval * checking for library containing floor... none required checking for library containing modf... none required checking for library containing pow... none required checking for library containing sqrt... none required checking for library containing hypot... none required checking for bcopy... yes checking for bzero... yes checking for create_shared_region... no checking for ftruncate... yes checking for gethostbyname... yes checking for gethostname... yes checking for getpagesize... (cached) yes checking for gettimeofday... yes checking for memalign... yes checking for memcpy... yes checking for memset... yes checking for munmap... yes checking for pause... yes checking for posix_memalign... yes checking for putenv... yes checking for select... yes checking for setenv... yes checking for shared_malloc... no checking for shmalloc... no checking for socket... yes checking for srand... yes checking for srandom... yes checking for strchr... yes checking for strdup... yes checking for strerror... yes checking for strstr... yes checking for strtol... yes checking for openpl in -lplot... no checking for specific C optimizations... configure: configure: C++ compiler (disabled, but some tests still required) configure: checking whether we are using the GNU C++ compiler... yes checking whether CC accepts -g... yes checking dependency style of CC... gcc3 checking for perl... (cached) /usr/bin/perl checking for base CC compiler... (cached) CC configure: configure: Assembler configure: checking dependency style of cc... gcc3 configure: configure: Fortran compiler configure: checking whether we are using the GNU Fortran 77 compiler... yes checking whether ftn accepts -g... yes checking for perl... (cached) /usr/bin/perl checking for base ftn compiler... (cached) ftn checking for Fortran 77 compiler vendor... gnu checking whether a simple Fortran MPI program compiles... yes checking for Fortran 77 flag to suppress info messages... none checking how to get verbose linking output from ftn... -v checking for Fortran 77 libraries of ftn... -L/opt/cray/libsci/18.12.1/GNU/5.1/x86_64/lib -L/opt/cray/dmapp/default/lib64 -L/opt/cray/mpt/7.7.4/gni/mpich-gnu/5.1/lib -L/opt/cray/ntk/1.5.0/gem/lib -L/opt/cray/onesided/1.5.0/gem/lib -L/opt/cray/pmi/5.0.11/lib64 -L/opt/cray/xpmem/0.1-2.0502.64982.7.27.gem/lib64 -L/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64 -L/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64 -L/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64 -L/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64 -L/opt/cray/atp/2.1.0/libApp -L/opt/cray/wlm_detect/1.0-1.0502.64649.2.2.gem/lib64 -L/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64 -L/opt/gcc/5.1.0/snos/lib/gcc/x86_64-suse-linux/5.1.0 -L/opt/gcc/5.1.0/snos/lib/gcc/x86_64-suse-linux/5.1.0/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/sw/EasyBuild/software/cURL/7.59.0/lib -L/sw/EasyBuild/software/OpenSSL/1.0.2m/lib -L/opt/gcc/5.1.0/snos/lib/gcc/x86_64-suse-linux/5.1.0/../../.. -ldmapp -lpthread -lnumatoolkit -lonesided -lAtpSigHandler -lAtpSigHCommData -lsci_gnu_51_mpi -lsci_gnu_51 -lhugetlbfs -lmpichf90_gnu_51 -lrt -lugni -lpmi -lmpich_gnu_51 -lalpslli -lwlm_detect -lalpsutil -lrca -lxpmem -ludreg -lgfortran -lquadmath -lm checking whether FLIBS needs -lgcc_s... no checking for ftn flag to add single underscore to external names... none checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking how to pass symbols to preprocessed ftn... -D checking whether ftn needs a flag to compile fixed format source... none checking whether ftn needs a flag to compile inconsistent types... none checking for desired Fortran INTEGER size... 8 checking for INTEGER size compile flag... -fdefault-integer-8 checking for -fno-aggressive-loop-optimizations support in Fortran 77 compiler... -fno-aggressive-loop-optimizations checking size of Fortran INTEGER... 8 checking size of Fortran REAL... 4 checking size of Fortran DOUBLE PRECISION... 8 checking for dtime... no checking for etime... no checking for ftn flush routine... flush checking for flag to disable ftn main when linking with C main... none checking for routines to access the command line from Fortran... yes checking whether Fortran hidden string length convention is after args... yes checking for C type corresponding to INTEGER... long checking for C type corresponding to REAL... float checking for C type corresponding to DOUBLE PRECISION... double checking whether we can safely implement F77_FUNC(srand48)... 1 checking for specific Fortran optimizations... configure: configure: Checks for BLAS,LAPACK,ScaLAPACK configure: configure: Attempting to locate BLAS library checking for BLAS with user-supplied flags... yes configure: Attempting to locate LAPACK library checking for Fortran 77 LAPACK with user-supplied flags... yes configure: Attempting to locate SCALAPACK library checking for SCALAPACK with user-supplied flags... yes checking whether SCALAPACK implements pdsyevr... yes configure: Attempting to locate ELPA library checking for ELPA with user-supplied flags... no checking for ELPA in generic library... no configure: WARNING: ELPA library not found, interfaces won't be defined configure: configure: Checks for additional programs configure: checking for grep that handles long lines and -e... (cached) /usr/bin/grep checking for a sed that does not truncate output... /usr/bin/sed checking for python... /usr/bin/python checking for python version... 2.6 checking for python platform... linux2 checking for python script directory... ${prefix}/lib64/python2.6/site-packages checking for python extension module directory... ${exec_prefix}/lib64/python2.6/site-packages checking for m4... /usr/bin/m4 checking for perl... (cached) /usr/bin/perl configure: configure: Libtool setup configure: checking how to print strings... printf checking for a sed that does not truncate output... (cached) /usr/bin/sed checking for fgrep... /usr/bin/grep -F checking for ld used by cc... /opt/xalt/0.7.6/sles11.3/bin/ld checking if the linker (/opt/xalt/0.7.6/sles11.3/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/nm -B checking the name lister (/usr/bin/nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 3458764513820540925 checking whether the shell understands some XSI constructs... yes checking whether the shell understands "+="... yes checking how to convert x86_64-unknown-linux-gnu file names to x86_64-unknown-linux-gnu format... func_convert_file_noop checking how to convert x86_64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop checking for /opt/xalt/0.7.6/sles11.3/bin/ld option to reload object files... -r checking for objdump... objdump checking how to recognize dependent libraries... pass_all checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for ar... ar checking for archiver @FILE support... @ checking for strip... strip checking for ranlib... ranlib checking command to parse /usr/bin/nm -B output from cc object... ok checking for sysroot... no checking for mt... mt checking if mt is a manifest tool... no checking for dlfcn.h... yes checking for objdir... .libs checking if cc supports -fno-rtti -fno-exceptions... no checking for cc option to produce PIC... -fPIC -DPIC checking if cc PIC flag -fPIC -DPIC works... yes checking if cc static flag -static works... yes checking if cc supports -c -o file.o... yes checking if cc supports -c -o file.o... (cached) yes checking whether the cc linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking whether stripping libraries is possible... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... no checking whether to build static libraries... yes checking how to run the C++ preprocessor... CC -E checking for ld used by CC... /opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64 checking if the linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) is GNU ld... yes checking whether the CC linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking for CC option to produce PIC... -fPIC -DPIC checking if CC PIC flag -fPIC -DPIC works... yes checking if CC static flag -static works... yes checking if CC supports -c -o file.o... yes checking if CC supports -c -o file.o... (cached) yes checking whether the CC linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking if libtool supports shared libraries... yes checking whether to build shared libraries... no checking whether to build static libraries... yes checking for ftn option to produce PIC... -fPIC checking if ftn PIC flag -fPIC works... yes checking if ftn static flag -static works... yes checking if ftn supports -c -o file.o... yes checking if ftn supports -c -o file.o... (cached) yes checking whether the ftn linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate configure: configure: Miscellaneous remaining setup configure: checking for mpirun... no checking for mpiexec... no configure: creating ./config.status config.status: creating Makefile config.status: creating gaf2c/farg.h config.status: creating gaf2c/typesf2c.h config.status: creating global/src/global.fh config.status: creating ma/mafdecls.fh config.status: creating ma/matypes.h config.status: creating tools/ga-config config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands === configuring in armci (/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/armci) configure: running /bin/sh ../../ga-5-4/armci/configure --disable-option-checking '--prefix=/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install' '--with-tcgmsg' '--with-mpi' '--enable-peigs' '--enable-underscoring' '--disable-mpi-tests' '--with-scalapack=-lsci_gnu' '--with-lapack=-lsci_gnu' '--with-blas8=-lsci_gnu' '--with-mpi-pr' 'CC=cc' 'MPICC=cc' 'CXX=CC' 'MPICXX=CC' 'F77=ftn' 'MPIF77=ftn' 'ARMCI_DEFAULT_SHMMAX_UBOUND=131072' --cache-file=/dev/null --srcdir=../../ga-5-4/armci checking build system type... x86_64-unknown-linux-gnu checking host system type... x86_64-unknown-linux-gnu checking for TARGET base (64bit-ness checked later)... LINUX checking whether we think this system is what we call SYSV... yes checking whether we are cross compiling... no checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes checking for a thread-safe mkdir -p... /bin/mkdir -p checking for gawk... gawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking whether to enable maintainer-specific portions of Makefiles... no configure: Detected VPATH build checking for ARMCI_DEFAULT_SHMMAX upper bound... 131072 configure: configure: C compiler configure: checking for style of include used by make... GNU checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether we are using the GNU C compiler... yes checking whether cc accepts -g... yes checking for cc option to accept ISO C89... none needed checking dependency style of cc... gcc3 checking how to run the C preprocessor... cc -E checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for ANSI C header files... yes checking for sys/types.h... yes checking for sys/stat.h... yes checking for stdlib.h... yes checking for string.h... yes checking for memory.h... yes checking for strings.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for unistd.h... yes checking minix/config.h usability... no checking minix/config.h presence... no checking for minix/config.h... no checking whether it is safe to define __EXTENSIONS__... yes checking for C compiler vendor... gnu checking for perl... /usr/bin/perl checking for base cc compiler... (cached) cc checking whether a simple C MPI program compiles... yes checking for TARGET 64bit-ness... LINUX64 configure: searching for MPI_PR... checking whether to enable assertions... yes checking for dirent.h that defines DIR... yes checking for library containing opendir... none required checking for stdbool.h that conforms to C99... yes checking for _Bool... yes checking for ANSI C header files... (cached) yes checking for sys/wait.h that is POSIX.1 compatible... yes checking for assert.h... yes checking for c_asm.h... no checking for errno.h... yes checking for fcntl.h... yes checking for float.h... yes checking for ia64/sys/inline.h... no checking for malloc.h... yes checking for math.h... yes checking for memory.h... (cached) yes checking for mpp/shmem.h... no checking for netdb.h... yes checking for netinet/in.h... yes checking for netinet/tcp.h... yes checking for process.h... no checking for setjmp.h... yes checking for signal.h... yes checking for stdarg.h... yes checking for stdint.h... (cached) yes checking for stdio.h... yes checking for stdlib.h... (cached) yes checking for string.h... (cached) yes checking for strings.h... (cached) yes checking for sys/types.h... (cached) yes checking for sys/atomic_op.h... no checking for sys/errno.h... yes checking for sys/file.h... yes checking for sys/ipc.h... yes checking for sys/mman.h... yes checking for sys/param.h... yes checking for sys/sem.h... yes checking for sys/shm.h... yes checking for sys/socket.h... yes checking for sys/stat.h... (cached) yes checking for sys/syscall.h... yes checking for sys/systemcfg.h... no checking for sys/time.h... yes checking for sys/uio.h... yes checking for sys/wait.h... (cached) yes checking for time.h... yes checking for unistd.h... (cached) yes checking for windows.h... no checking for winsock.h... no checking for rpc/rpc.h... yes checking for rpc/types.h... yes checking for rpc/xdr.h... yes checking for an ANSI C-conforming const... yes checking for inline... inline checking for C/C++ restrict keyword... __restrict checking for working volatile... yes checking for int16_t... yes checking for int32_t... yes checking for int64_t... yes checking for off_t... yes checking for pid_t... yes checking return type of signal handlers... void checking for size_t... yes checking for ssize_t... yes checking for uint8_t... yes checking for uint16_t... yes checking for uint32_t... yes checking for uint64_t... yes checking for ptrdiff_t... yes checking for preprocessor symbol for function name... __func__ checking whether cc supports #pragma weak... yes checking for union semun in sys/sem.h... no checking size of void*... 8 checking size of char... 1 checking size of short... 2 checking size of int... 4 checking size of long... 8 checking size of long long... 8 checking size of float... 4 checking size of double... 8 checking for smallest C integer matching void*... long checking vfork.h usability... no checking vfork.h presence... no checking for vfork.h... no checking for fork... yes checking for vfork... yes checking for working fork... yes checking for working vfork... (cached) yes checking for stdlib.h... (cached) yes checking for unistd.h... (cached) yes checking for sys/param.h... (cached) yes checking for getpagesize... yes checking for working mmap... yes checking sys/select.h usability... yes checking sys/select.h presence... yes checking for sys/select.h... yes checking for sys/socket.h... (cached) yes checking types of arguments for select... int,fd_set *,struct timeval * checking for vprintf... yes checking for _doprnt... no checking for library containing floor... none required checking for library containing pow... none required checking for library containing sqrt... none required checking for bzero... yes checking for fastbcopy... no checking for ftruncate... yes checking for gethostbyname... yes checking for getpagesize... (cached) yes checking for gettimeofday... yes checking for memset... yes checking for munmap... yes checking for select... yes checking for socket... yes checking for strchr... yes checking for strdup... yes checking for strerror... yes checking for strstr... yes checking for strtol... yes checking for _lock_try... no checking for _acquire_lock... no checking for xdr_char... yes checking for pthread_getconcurrency... yes checking for pthread_setconcurrency... yes checking for specific C optimizations... configure: configure: C++ compiler (disabled, but some tests still required) configure: checking whether we are using the GNU C++ compiler... yes checking whether CC accepts -g... yes checking dependency style of CC... gcc3 checking for perl... (cached) /usr/bin/perl checking for base CC compiler... (cached) CC configure: configure: Assembler configure: checking dependency style of cc... gcc3 checking whether NO_I386ASM is needed... no configure: configure: Checks for additional programs configure: checking for grep that handles long lines and -e... (cached) /usr/bin/grep checking for a sed that does not truncate output... /usr/bin/sed configure: configure: Libtool setup configure: checking how to print strings... printf checking for a sed that does not truncate output... (cached) /usr/bin/sed checking for fgrep... /usr/bin/grep -F checking for ld used by cc... /opt/xalt/0.7.6/sles11.3/bin/ld checking if the linker (/opt/xalt/0.7.6/sles11.3/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/nm -B checking the name lister (/usr/bin/nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 3458764513820540925 checking whether the shell understands some XSI constructs... yes checking whether the shell understands "+="... yes checking how to convert x86_64-unknown-linux-gnu file names to x86_64-unknown-linux-gnu format... func_convert_file_noop checking how to convert x86_64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop checking for /opt/xalt/0.7.6/sles11.3/bin/ld option to reload object files... -r checking for objdump... objdump checking how to recognize dependent libraries... pass_all checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for ar... ar checking for archiver @FILE support... @ checking for strip... strip checking for ranlib... ranlib checking command to parse /usr/bin/nm -B output from cc object... ok checking for sysroot... no checking for mt... mt checking if mt is a manifest tool... no checking for dlfcn.h... yes checking for objdir... .libs checking if cc supports -fno-rtti -fno-exceptions... no checking for cc option to produce PIC... -fPIC -DPIC checking if cc PIC flag -fPIC -DPIC works... yes checking if cc static flag -static works... yes checking if cc supports -c -o file.o... yes checking if cc supports -c -o file.o... (cached) yes checking whether the cc linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking whether stripping libraries is possible... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... no checking whether to build static libraries... yes checking how to run the C++ preprocessor... CC -E checking for ld used by CC... /opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64 checking if the linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) is GNU ld... yes checking whether the CC linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking for CC option to produce PIC... -fPIC -DPIC checking if CC PIC flag -fPIC -DPIC works... yes checking if CC static flag -static works... yes checking if CC supports -c -o file.o... yes checking if CC supports -c -o file.o... (cached) yes checking whether the CC linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate configure: configure: Miscellaneous remaining setup configure: configure: checking for remote shell checking for rsh... /usr/bin/rsh checking for mpirun... no checking for mpiexec... no configure: creating ./config.status config.status: creating Makefile config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands configure: configure: ************************************************************** configure: Aggregate Remote Memory Copy Interface (ARMCI) configured as follows: configure: ************************************************************** configure: configure: TARGET=LINUX64 configure: MSG_COMMS=MPI configure: GA_MP_LIBS= configure: GA_MP_LDFLAGS= configure: GA_MP_CPPFLAGS= configure: ARMCI_NETWORK=MPI_PR configure: ARMCI_NETWORK_LDFLAGS= configure: ARMCI_NETWORK_LIBS= configure: ARMCI_NETWORK_CPPFLAGS= configure: CC=cc configure: unwrapped CC=cc configure: CFLAGS= configure: ARMCI_COPT= configure: CPP=cc -E configure: CPPFLAGS= configure: LDFLAGS= configure: LIBS= configure: FLIBS= configure: AR=ar configure: AR_FLAGS=cru configure: CCAS=cc configure: CCAS_FLAGS= configure: DEFS=-DHAVE_CONFIG_H configure: SHELL=/bin/sh configure: MPIEXEC= -n %NP% configure: NPROCS=4 configure: === configuring in comex (/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/comex) configure: running /bin/sh ../../ga-5-4/comex/configure --disable-option-checking '--prefix=/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install' '--with-tcgmsg' '--with-mpi' '--enable-peigs' '--enable-underscoring' '--disable-mpi-tests' '--with-scalapack=-lsci_gnu' '--with-lapack=-lsci_gnu' '--with-blas8=-lsci_gnu' '--with-mpi-pr' 'CC=cc' 'MPICC=cc' 'CXX=CC' 'MPICXX=CC' 'F77=ftn' 'MPIF77=ftn' 'ARMCI_DEFAULT_SHMMAX_UBOUND=131072' --cache-file=/dev/null --srcdir=../../ga-5-4/comex checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes checking for a thread-safe mkdir -p... /bin/mkdir -p checking for gawk... gawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking whether to enable maintainer-specific portions of Makefiles... no configure: Detected VPATH build configure: configure: C compiler configure: checking for style of include used by make... GNU checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether we are using the GNU C compiler... yes checking whether cc accepts -g... yes checking for cc option to accept ISO C89... none needed checking dependency style of cc... gcc3 checking how to run the C preprocessor... cc -E checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for ANSI C header files... yes checking for sys/types.h... yes checking for sys/stat.h... yes checking for stdlib.h... yes checking for string.h... yes checking for memory.h... yes checking for strings.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for unistd.h... yes checking minix/config.h usability... no checking minix/config.h presence... no checking for minix/config.h... no checking whether it is safe to define __EXTENSIONS__... yes checking for perl... /usr/bin/perl checking for base cc compiler... (cached) cc checking whether a simple C MPI program compiles... yes configure: searching for MPI_PR... checking mpi.h usability... yes checking mpi.h presence... yes checking for mpi.h... yes checking for library containing MPI_Init... none required checking whether to enable assertions... yes checking for dirent.h that defines DIR... yes checking for library containing opendir... none required checking for stdbool.h that conforms to C99... yes checking for _Bool... yes checking for ANSI C header files... (cached) yes checking for sys/wait.h that is POSIX.1 compatible... yes checking assert.h usability... yes checking assert.h presence... yes checking for assert.h... yes checking errno.h usability... yes checking errno.h presence... yes checking for errno.h... yes checking getopt.h usability... yes checking getopt.h presence... yes checking for getopt.h... yes checking math.h usability... yes checking math.h presence... yes checking for math.h... yes checking pthread.h usability... yes checking pthread.h presence... yes checking for pthread.h... yes checking sched.h usability... yes checking sched.h presence... yes checking for sched.h... yes checking semaphore.h usability... yes checking semaphore.h presence... yes checking for semaphore.h... yes checking for stdint.h... (cached) yes checking stdio.h usability... yes checking stdio.h presence... yes checking for stdio.h... yes checking for stdlib.h... (cached) yes checking for string.h... (cached) yes checking for strings.h... (cached) yes checking sys/time.h usability... yes checking sys/time.h presence... yes checking for sys/time.h... yes checking for sys/types.h... (cached) yes checking for unistd.h... (cached) yes checking for an ANSI C-conforming const... yes checking for inline... inline checking for C/C++ restrict keyword... __restrict checking for working volatile... yes checking for int8_t... yes checking for int16_t... yes checking for int32_t... yes checking for int64_t... yes checking for off_t... yes checking for pid_t... yes checking for size_t... yes checking for uint8_t... yes checking for uint16_t... yes checking for uint32_t... yes checking for uint64_t... yes checking for ptrdiff_t... yes checking for preprocessor symbol for function name... __func__ checking whether cc supports #pragma weak... yes checking size of MPI_Aint... 8 checking size of void*... 8 checking size of char... 1 checking size of short... 2 checking size of int... 4 checking size of long... 8 checking size of long long... 8 checking size of float... 4 checking size of double... 8 checking for stdlib.h... (cached) yes checking for unistd.h... (cached) yes checking for sys/param.h... yes checking for getpagesize... yes checking for working mmap... yes checking for library containing sqrt... none required checking for library containing sem_open... none required checking for library containing shm_open... none required checking for library containing shm_unlink... none required checking for bzero... yes checking for gettimeofday... yes checking for memset... yes checking for munmap... yes checking for pthread_setaffinity_np... yes checking for sched_setaffinity... yes checking for strchr... yes checking for strdup... yes checking for strncasecmp... yes checking for strstr... yes checking for MPI_Ibarrier... yes checking for MPIX_Ibarrier... no configure: Attempting to locate BLAS library checking for BLAS with user-supplied flags... yes configure: configure: Checks for additional programs configure: checking for grep that handles long lines and -e... (cached) /usr/bin/grep checking for a sed that does not truncate output... /usr/bin/sed configure: configure: Libtool setup configure: checking build system type... x86_64-unknown-linux-gnu checking host system type... x86_64-unknown-linux-gnu checking how to print strings... printf checking for a sed that does not truncate output... (cached) /usr/bin/sed checking for fgrep... /usr/bin/grep -F checking for ld used by cc... /opt/xalt/0.7.6/sles11.3/bin/ld checking if the linker (/opt/xalt/0.7.6/sles11.3/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/nm -B checking the name lister (/usr/bin/nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 3458764513820540925 checking whether the shell understands some XSI constructs... yes checking whether the shell understands "+="... yes checking how to convert x86_64-unknown-linux-gnu file names to x86_64-unknown-linux-gnu format... func_convert_file_noop checking how to convert x86_64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop checking for /opt/xalt/0.7.6/sles11.3/bin/ld option to reload object files... -r checking for objdump... objdump checking how to recognize dependent libraries... pass_all checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for ar... ar checking for archiver @FILE support... @ checking for strip... strip checking for ranlib... ranlib checking command to parse /usr/bin/nm -B output from cc object... ok checking for sysroot... no checking for mt... mt checking if mt is a manifest tool... no checking for dlfcn.h... yes checking for objdir... .libs checking if cc supports -fno-rtti -fno-exceptions... no checking for cc option to produce PIC... -fPIC -DPIC checking if cc PIC flag -fPIC -DPIC works... yes checking if cc static flag -static works... yes checking if cc supports -c -o file.o... yes checking if cc supports -c -o file.o... (cached) yes checking whether the cc linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking whether stripping libraries is possible... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... no checking whether to build static libraries... yes checking for mpirun... no checking for mpiexec... no configure: creating ./config.status config.status: creating Makefile config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands configure: configure: ************************************************************** configure: Communication Runtime for Extreme Scale (comex) configured as follows: configure: ************************************************************** configure: configure: MPI_LIBS= configure: MPI_LDFLAGS= configure: MPI_CPPFLAGS= configure: COMEX_NETWORK=MPI_PR configure: COMEX_NETWORK_LDFLAGS= configure: COMEX_NETWORK_LIBS= configure: COMEX_NETWORK_CPPFLAGS= configure: CC=cc configure: unwrapped CC=cc configure: CFLAGS=-g -O2 configure: CPP=cc -E configure: CPPFLAGS= configure: LDFLAGS= configure: LIBS= configure: FLIBS= configure: AR=ar configure: AR_FLAGS=cru configure: DEFS=-DHAVE_CONFIG_H configure: SHELL=/bin/sh configure: MPIEXEC= -n %NP% configure: NPROCS=4 configure: configure: configure: ************************************************************** configure: Global Arrays (GA) configured as follows: configure: ************************************************************** configure: configure: TARGET=LINUX64 configure: MSG_COMMS=MPI configure: GA_MP_LIBS= configure: GA_MP_LDFLAGS= configure: GA_MP_CPPFLAGS= configure: ARMCI_NETWORK=MPI_PR configure: ARMCI_NETWORK_LDFLAGS= configure: ARMCI_NETWORK_LIBS= configure: ARMCI_NETWORK_CPPFLAGS= configure: F77=ftn configure: unwrapped F77=ftn configure: FFLAGS= configure: FFLAG_INT=-fdefault-integer-8 configure: FFLAG_NO_LOOP_OPT=-fno-aggressive-loop-optimizations configure: GA_FOPT= configure: CC=cc configure: unwrapped CC=cc configure: CFLAGS= configure: CFLAG_NO_LOOP_OPT=-fno-aggressive-loop-optimizations configure: GA_COPT= configure: CPP=cc -E configure: CPPFLAGS= configure: LDFLAGS= configure: LIBS= configure: FLIBS= -L/opt/cray/libsci/18.12.1/GNU/5.1/x86_64/lib -L/opt/cray/dmapp/default/lib64 -L/opt/cray/mpt/7.7.4/gni/mpich-gnu/5.1/lib -L/opt/cray/ntk/1.5.0/gem/lib -L/opt/cray/onesided/1.5.0/gem/lib -L/opt/cray/pmi/5.0.11/lib64 -L/opt/cray/xpmem/0.1-2.0502.64982.7.27.gem/lib64 -L/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64 -L/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64 -L/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64 -L/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64 -L/opt/cray/atp/2.1.0/libApp -L/opt/cray/wlm_detect/1.0-1.0502.64649.2.2.gem/lib64 -L/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64 -L/opt/gcc/5.1.0/snos/lib/gcc/x86_64-suse-linux/5.1.0 -L/opt/gcc/5.1.0/snos/lib/gcc/x86_64-suse-linux/5.1.0/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/sw/EasyBuild/software/cURL/7.59.0/lib -L/sw/EasyBuild/software/OpenSSL/1.0.2m/lib -L/opt/gcc/5.1.0/snos/lib/gcc/x86_64-suse-linux/5.1.0/../../.. -ldmapp -lpthread -lnumatoolkit -lonesided -lAtpSigHandler -lAtpSigHCommData -lsci_gnu_51_mpi -lsci_gnu_51 -lhugetlbfs -lmpichf90_gnu_51 -lrt -lugni -lpmi -lmpich_gnu_51 -lalpslli -lwlm_detect -lalpsutil -lrca -lxpmem -ludreg -lgfortran -lquadmath -lm configure: BLAS_LDFLAGS= configure: BLAS_LIBS= -lsci_gnu configure: BLAS_CPPFLAGS= configure: AR=ar configure: AR_FLAGS=cru configure: CCAS=cc configure: CCAS_FLAGS= configure: DEFS=-DHAVE_CONFIG_H configure: SHELL=/bin/sh configure: MPIEXEC= -n %NP% configure: NPROCS=4 configure: cd build && /bin/sh ./config.status config.status: creating Makefile config.status: creating gaf2c/farg.h config.status: creating gaf2c/typesf2c.h config.status: creating global/src/global.fh config.status: creating ma/mafdecls.fh config.status: creating ma/matypes.h config.status: creating tools/ga-config config.status: creating config.h config.status: config.h is unchanged config.status: executing depfiles commands config.status: executing libtool commands *** Building Parallel Tools **** make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' \ /usr/bin/sed "/^#/!d" config.h > config.fh \ /usr/bin/sed -e "s/PAPI/WAPI/g" \ -e "s/pnga_/wnga_/g" \ -e "/typedef/d" \ ../ga-5-4/global/src/ga-papi.h > global/src/ga-wapi.h \ /usr/bin/sed -e "s/PAPI/WAPIDEFS/g" \ -e "s/^.*p\(nga_.*\)(.*$/#define w\1 p\1/g" \ -e "/^ /d" \ -e "/^\/\*/d" \ -e "/^ \*/d" \ -e "/typedef/d" \ ../ga-5-4/global/src/ga-papi.h > global/src/ga-wapidefs.h make all-recursive make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' Making all in comex make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/comex' make all-am make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/comex' depbase=`echo src-mpi-pr/comex.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-mpi-pr/comex.lo -MD -MP -MF $depbase.Tpo -c -o src-mpi-pr/comex.lo ../../ga-5-4/comex/src-mpi-pr/comex.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-mpi-pr/comex.lo -MD -MP -MF src-mpi-pr/.deps/comex.Tpo -c ../../ga-5-4/comex/src-mpi-pr/comex.c -o src-mpi-pr/comex.o In file included from ../../ga-5-4/comex/src-mpi-pr/comex.c:2:0: ../../ga-5-4/comex/src-common/acc.h: In function '_scale': ./config.h:14:20: warning: implicit declaration of function 'dcopy_' [-Wimplicit-function-declaration] #define BLAS_DCOPY dcopy_ ^ ../../ga-5-4/comex/src-common/acc.h:45:9: note: in expansion of macro 'BLAS_DCOPY' BLAS_##LETTER##COPY(&N, src, &ONE, dst, &ONE); \ ^ ../../ga-5-4/comex/src-common/acc.h:60:5: note: in expansion of macro 'SCALE_BLAS' SCALE_BLAS(COMEX_ACC_DBL, double, D) ^ ./config.h:11:20: warning: implicit declaration of function 'daxpy_' [-Wimplicit-function-declaration] #define BLAS_DAXPY daxpy_ ^ ../../ga-5-4/comex/src-common/acc.h:46:9: note: in expansion of macro 'BLAS_DAXPY' BLAS_##LETTER##AXPY(&N, scale, src, &ONE, dst, &ONE); \ ^ ../../ga-5-4/comex/src-common/acc.h:60:5: note: in expansion of macro 'SCALE_BLAS' SCALE_BLAS(COMEX_ACC_DBL, double, D) ^ ./config.h:20:20: warning: implicit declaration of function 'scopy_' [-Wimplicit-function-declaration] #define BLAS_SCOPY scopy_ ^ ../../ga-5-4/comex/src-common/acc.h:45:9: note: in expansion of macro 'BLAS_SCOPY' BLAS_##LETTER##COPY(&N, src, &ONE, dst, &ONE); \ ^ ../../ga-5-4/comex/src-common/acc.h:61:5: note: in expansion of macro 'SCALE_BLAS' SCALE_BLAS(COMEX_ACC_FLT, float, S) ^ ./config.h:17:20: warning: implicit declaration of function 'saxpy_' [-Wimplicit-function-declaration] #define BLAS_SAXPY saxpy_ ^ ../../ga-5-4/comex/src-common/acc.h:46:9: note: in expansion of macro 'BLAS_SAXPY' BLAS_##LETTER##AXPY(&N, scale, src, &ONE, dst, &ONE); \ ^ ../../ga-5-4/comex/src-common/acc.h:61:5: note: in expansion of macro 'SCALE_BLAS' SCALE_BLAS(COMEX_ACC_FLT, float, S) ^ ./config.h:29:20: warning: implicit declaration of function 'zcopy_' [-Wimplicit-function-declaration] #define BLAS_ZCOPY zcopy_ ^ ../../ga-5-4/comex/src-common/acc.h:45:9: note: in expansion of macro 'BLAS_ZCOPY' BLAS_##LETTER##COPY(&N, src, &ONE, dst, &ONE); \ ^ ../../ga-5-4/comex/src-common/acc.h:64:5: note: in expansion of macro 'SCALE_BLAS' SCALE_BLAS(COMEX_ACC_DCP, DoubleComplex, Z) ^ ./config.h:26:20: warning: implicit declaration of function 'zaxpy_' [-Wimplicit-function-declaration] #define BLAS_ZAXPY zaxpy_ ^ ../../ga-5-4/comex/src-common/acc.h:46:9: note: in expansion of macro 'BLAS_ZAXPY' BLAS_##LETTER##AXPY(&N, scale, src, &ONE, dst, &ONE); \ ^ ../../ga-5-4/comex/src-common/acc.h:64:5: note: in expansion of macro 'SCALE_BLAS' SCALE_BLAS(COMEX_ACC_DCP, DoubleComplex, Z) ^ ./config.h:8:20: warning: implicit declaration of function 'ccopy_' [-Wimplicit-function-declaration] #define BLAS_CCOPY ccopy_ ^ ../../ga-5-4/comex/src-common/acc.h:45:9: note: in expansion of macro 'BLAS_CCOPY' BLAS_##LETTER##COPY(&N, src, &ONE, dst, &ONE); \ ^ ../../ga-5-4/comex/src-common/acc.h:65:5: note: in expansion of macro 'SCALE_BLAS' SCALE_BLAS(COMEX_ACC_CPL, SingleComplex, C) ^ ./config.h:5:20: warning: implicit declaration of function 'caxpy_' [-Wimplicit-function-declaration] #define BLAS_CAXPY caxpy_ ^ ../../ga-5-4/comex/src-common/acc.h:46:9: note: in expansion of macro 'BLAS_CAXPY' BLAS_##LETTER##AXPY(&N, scale, src, &ONE, dst, &ONE); \ ^ ../../ga-5-4/comex/src-common/acc.h:65:5: note: in expansion of macro 'SCALE_BLAS' SCALE_BLAS(COMEX_ACC_CPL, SingleComplex, C) ^ depbase=`echo src-mpi-pr/groups.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-mpi-pr/groups.lo -MD -MP -MF $depbase.Tpo -c -o src-mpi-pr/groups.lo ../../ga-5-4/comex/src-mpi-pr/groups.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-mpi-pr/groups.lo -MD -MP -MF src-mpi-pr/.deps/groups.Tpo -c ../../ga-5-4/comex/src-mpi-pr/groups.c -o src-mpi-pr/groups.o ../../ga-5-4/comex/src-mpi-pr/groups.c: In function 'xgethostid': ../../ga-5-4/comex/src-mpi-pr/groups.c:542:2: warning: #warning CRAY [-Wcpp] #warning CRAY ^ depbase=`echo src-mpi-pr/reg_cache.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-mpi-pr/reg_cache.lo -MD -MP -MF $depbase.Tpo -c -o src-mpi-pr/reg_cache.lo ../../ga-5-4/comex/src-mpi-pr/reg_cache.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-mpi-pr/reg_cache.lo -MD -MP -MF src-mpi-pr/.deps/reg_cache.Tpo -c ../../ga-5-4/comex/src-mpi-pr/reg_cache.c -o src-mpi-pr/reg_cache.o /bin/sh ./libtool --tag=CC --mode=link cc -g -O2 -o libcomex.la -rpath /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib src-mpi-pr/comex.lo src-mpi-pr/groups.lo src-mpi-pr/reg_cache.lo libtool: link: ar cru .libs/libcomex.a src-mpi-pr/comex.o src-mpi-pr/groups.o src-mpi-pr/reg_cache.o libtool: link: ranlib .libs/libcomex.a libtool: link: ( cd ".libs" && rm -f "libcomex.la" && ln -s "../libcomex.la" "libcomex.la" ) depbase=`echo src-armci/armci.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/armci.lo -MD -MP -MF $depbase.Tpo -c -o src-armci/armci.lo ../../ga-5-4/comex/src-armci/armci.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/armci.lo -MD -MP -MF src-armci/.deps/armci.Tpo -c ../../ga-5-4/comex/src-armci/armci.c -o src-armci/armci.o depbase=`echo src-armci/groups.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/groups.lo -MD -MP -MF $depbase.Tpo -c -o src-armci/groups.lo ../../ga-5-4/comex/src-armci/groups.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/groups.lo -MD -MP -MF src-armci/.deps/groups.Tpo -c ../../ga-5-4/comex/src-armci/groups.c -o src-armci/groups.o depbase=`echo src-armci/message.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/message.lo -MD -MP -MF $depbase.Tpo -c -o src-armci/message.lo ../../ga-5-4/comex/src-armci/message.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/message.lo -MD -MP -MF src-armci/.deps/message.Tpo -c ../../ga-5-4/comex/src-armci/message.c -o src-armci/message.o depbase=`echo src-armci/iterator.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/iterator.lo -MD -MP -MF $depbase.Tpo -c -o src-armci/iterator.lo ../../ga-5-4/comex/src-armci/iterator.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/iterator.lo -MD -MP -MF src-armci/.deps/iterator.Tpo -c ../../ga-5-4/comex/src-armci/iterator.c -o src-armci/iterator.o depbase=`echo src-armci/capi.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/capi.lo -MD -MP -MF $depbase.Tpo -c -o src-armci/capi.lo ../../ga-5-4/comex/src-armci/capi.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/capi.lo -MD -MP -MF src-armci/.deps/capi.Tpo -c ../../ga-5-4/comex/src-armci/capi.c -o src-armci/capi.o /bin/sh ./libtool --tag=CC --mode=link cc -g -O2 -o libcomexi.la src-mpi-pr/comex.lo src-mpi-pr/groups.lo src-mpi-pr/reg_cache.lo libtool: link: ar cru .libs/libcomexi.a src-mpi-pr/comex.o src-mpi-pr/groups.o src-mpi-pr/reg_cache.o libtool: link: ranlib .libs/libcomexi.a libtool: link: ( cd ".libs" && rm -f "libcomexi.la" && ln -s "../libcomexi.la" "libcomexi.la" ) /bin/sh ./libtool --tag=CC --mode=link cc -g -O2 -o libarmci.la -rpath /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib src-armci/armci.lo src-armci/groups.lo src-armci/message.lo src-armci/iterator.lo src-armci/capi.lo libcomexi.la libtool: link: (cd .libs/libarmci.lax/libcomexi.a && ar x "/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/comex/./.libs/libcomexi.a") copying selected object files to avoid basename conflicts... libtool: link: ln .libs/libarmci.lax/libcomexi.a/groups.o .libs/libarmci.lax/lt1-groups.o || cp .libs/libarmci.lax/libcomexi.a/groups.o .libs/libarmci.lax/lt1-groups.o libtool: link: ar cru .libs/libarmci.a src-armci/armci.o src-armci/groups.o src-armci/message.o src-armci/iterator.o src-armci/capi.o .libs/libarmci.lax/libcomexi.a/comex.o .libs/libarmci.lax/lt1-groups.o .libs/libarmci.lax/libcomexi.a/reg_cache.o libtool: link: ranlib .libs/libarmci.a libtool: link: rm -fr .libs/libarmci.lax .libs/libarmci.lax libtool: link: ( cd ".libs" && rm -f "libarmci.la" && ln -s "../libarmci.la" "libarmci.la" ) /bin/sh ./libtool --tag=CC --mode=link cc -g -O2 -o libarmcii.la src-armci/armci.lo src-armci/groups.lo src-armci/message.lo src-armci/iterator.lo src-armci/capi.lo libtool: link: ar cru .libs/libarmcii.a src-armci/armci.o src-armci/groups.o src-armci/message.o src-armci/iterator.o src-armci/capi.o libtool: link: ranlib .libs/libarmcii.a libtool: link: ( cd ".libs" && rm -f "libarmcii.la" && ln -s "../libarmcii.la" "libarmcii.la" ) make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/comex' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/comex' Making all in . make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' depbase=`echo compat/random.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT compat/random.lo -MD -MP -MF $depbase.Tpo -c -o compat/random.lo ../ga-5-4/compat/random.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT compat/random.lo -MD -MP -MF compat/.deps/random.Tpo -c ../ga-5-4/compat/random.c -o compat/random.o depbase=`echo ma/error.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/error.lo -MD -MP -MF $depbase.Tpo -c -o ma/error.lo ../ga-5-4/ma/error.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/error.lo -MD -MP -MF ma/.deps/error.Tpo -c ../ga-5-4/ma/error.c -o ma/error.o depbase=`echo ma/f2c.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/f2c.lo -MD -MP -MF $depbase.Tpo -c -o ma/f2c.lo ../ga-5-4/ma/f2c.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/f2c.lo -MD -MP -MF ma/.deps/f2c.Tpo -c ../ga-5-4/ma/f2c.c -o ma/f2c.o depbase=`echo ma/ma.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/ma.lo -MD -MP -MF $depbase.Tpo -c -o ma/ma.lo ../ga-5-4/ma/ma.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c 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-fno-aggressive-loop-optimizations -c -o ma/maf.lo ../ga-5-4/ma/maf.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/ma/maf.F -o ma/maf.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_cgemm.lo ../ga-5-4/LinAlg/lapack+blas/gal_cgemm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_cgemm.f -o LinAlg/lapack+blas/gal_cgemm.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o 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-fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_ddot.lo ../ga-5-4/LinAlg/lapack+blas/gal_ddot.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_ddot.f -o LinAlg/lapack+blas/gal_ddot.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dgemm.lo ../ga-5-4/LinAlg/lapack+blas/gal_dgemm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dgemm.f -o LinAlg/lapack+blas/gal_dgemm.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dgemv.lo ../ga-5-4/LinAlg/lapack+blas/gal_dgemv.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dgemv.f -o LinAlg/lapack+blas/gal_dgemv.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dger.lo ../ga-5-4/LinAlg/lapack+blas/gal_dger.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dger.f -o LinAlg/lapack+blas/gal_dger.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dgetf2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dgetf2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dgetf2.f -o LinAlg/lapack+blas/gal_dgetf2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dgetrf.lo ../ga-5-4/LinAlg/lapack+blas/gal_dgetrf.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dgetrf.f -o LinAlg/lapack+blas/gal_dgetrf.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dgetrs.lo ../ga-5-4/LinAlg/lapack+blas/gal_dgetrs.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dgetrs.f -o LinAlg/lapack+blas/gal_dgetrs.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_disnan.lo ../ga-5-4/LinAlg/lapack+blas/gal_disnan.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_disnan.f -o LinAlg/lapack+blas/gal_disnan.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlacpy.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlacpy.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlacpy.f -o LinAlg/lapack+blas/gal_dlacpy.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlae2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlae2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlae2.f -o LinAlg/lapack+blas/gal_dlae2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlaev2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlaev2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlaev2.f -o LinAlg/lapack+blas/gal_dlaev2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlaisnan.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlaisnan.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlaisnan.f -o 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-fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlarf.f -o LinAlg/lapack+blas/gal_dlarf.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlarfg.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlarfg.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlarfg.f -o LinAlg/lapack+blas/gal_dlarfg.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlarft.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlarft.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlarft.f -o LinAlg/lapack+blas/gal_dlarft.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlartg.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlartg.f libtool: compile: ftn 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libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlasr.f -o LinAlg/lapack+blas/gal_dlasr.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlasrt.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlasrt.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlasrt.f -o LinAlg/lapack+blas/gal_dlasrt.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlassq.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlassq.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlassq.f -o LinAlg/lapack+blas/gal_dlassq.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlaswp.lo 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LinAlg/lapack+blas/gal_dorg2l.lo ../ga-5-4/LinAlg/lapack+blas/gal_dorg2l.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dorg2l.f -o LinAlg/lapack+blas/gal_dorg2l.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dorg2r.lo ../ga-5-4/LinAlg/lapack+blas/gal_dorg2r.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dorg2r.f -o LinAlg/lapack+blas/gal_dorg2r.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dorgql.lo ../ga-5-4/LinAlg/lapack+blas/gal_dorgql.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dorgql.f -o LinAlg/lapack+blas/gal_dorgql.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dorgqr.lo ../ga-5-4/LinAlg/lapack+blas/gal_dorgqr.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dorgqr.f -o LinAlg/lapack+blas/gal_dorgqr.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dorgtr.lo ../ga-5-4/LinAlg/lapack+blas/gal_dorgtr.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dorgtr.f -o LinAlg/lapack+blas/gal_dorgtr.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dpotf2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dpotf2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dpotf2.f -o LinAlg/lapack+blas/gal_dpotf2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dpotrf.lo ../ga-5-4/LinAlg/lapack+blas/gal_dpotrf.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dpotrf.f -o LinAlg/lapack+blas/gal_dpotrf.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dscal.lo ../ga-5-4/LinAlg/lapack+blas/gal_dscal.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dscal.f -o LinAlg/lapack+blas/gal_dscal.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsteqr.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsteqr.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsteqr.f -o LinAlg/lapack+blas/gal_dsteqr.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsterf.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsterf.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsterf.f -o LinAlg/lapack+blas/gal_dsterf.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dswap.lo ../ga-5-4/LinAlg/lapack+blas/gal_dswap.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dswap.f -o LinAlg/lapack+blas/gal_dswap.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsyev.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsyev.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsyev.f -o LinAlg/lapack+blas/gal_dsyev.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsygs2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsygs2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsygs2.f -o LinAlg/lapack+blas/gal_dsygs2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsygst.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsygst.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsygst.f -o LinAlg/lapack+blas/gal_dsygst.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsygv.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsygv.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsygv.f -o LinAlg/lapack+blas/gal_dsygv.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsymm.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsymm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsymm.f -o LinAlg/lapack+blas/gal_dsymm.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsymv.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsymv.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsymv.f -o LinAlg/lapack+blas/gal_dsymv.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsyr2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsyr2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsyr2.f -o LinAlg/lapack+blas/gal_dsyr2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsyr2k.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsyr2k.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsyr2k.f -o LinAlg/lapack+blas/gal_dsyr2k.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsyrk.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsyrk.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsyrk.f -o LinAlg/lapack+blas/gal_dsyrk.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsytd2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsytd2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsytd2.f -o LinAlg/lapack+blas/gal_dsytd2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsytrd.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsytrd.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsytrd.f -o LinAlg/lapack+blas/gal_dsytrd.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dtrmm.lo ../ga-5-4/LinAlg/lapack+blas/gal_dtrmm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dtrmm.f -o LinAlg/lapack+blas/gal_dtrmm.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dtrmv.lo ../ga-5-4/LinAlg/lapack+blas/gal_dtrmv.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dtrmv.f -o LinAlg/lapack+blas/gal_dtrmv.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dtrsm.lo ../ga-5-4/LinAlg/lapack+blas/gal_dtrsm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dtrsm.f -o LinAlg/lapack+blas/gal_dtrsm.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dtrsv.lo ../ga-5-4/LinAlg/lapack+blas/gal_dtrsv.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dtrsv.f -o LinAlg/lapack+blas/gal_dtrsv.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_idamax.lo ../ga-5-4/LinAlg/lapack+blas/gal_idamax.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_idamax.f -o LinAlg/lapack+blas/gal_idamax.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_ieeeck.lo ../ga-5-4/LinAlg/lapack+blas/gal_ieeeck.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_ieeeck.f -o LinAlg/lapack+blas/gal_ieeeck.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_iladlc.lo ../ga-5-4/LinAlg/lapack+blas/gal_iladlc.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_iladlc.f -o LinAlg/lapack+blas/gal_iladlc.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_iladlr.lo ../ga-5-4/LinAlg/lapack+blas/gal_iladlr.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_iladlr.f -o LinAlg/lapack+blas/gal_iladlr.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_ilaenv.lo ../ga-5-4/LinAlg/lapack+blas/gal_ilaenv.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_ilaenv.f -o LinAlg/lapack+blas/gal_ilaenv.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_iparmq.lo ../ga-5-4/LinAlg/lapack+blas/gal_iparmq.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_iparmq.f -o LinAlg/lapack+blas/gal_iparmq.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o 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-fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_zaxpy.lo ../ga-5-4/LinAlg/lapack+blas/gal_zaxpy.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_zaxpy.f -o LinAlg/lapack+blas/gal_zaxpy.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_zgemm.lo ../ga-5-4/LinAlg/lapack+blas/gal_zgemm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_zgemm.f -o LinAlg/lapack+blas/gal_zgemm.o depbase=`echo LinAlg/lapack+blas/xgemm.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT LinAlg/lapack+blas/xgemm.lo -MD -MP -MF $depbase.Tpo -c -o LinAlg/lapack+blas/xgemm.lo ../ga-5-4/LinAlg/lapack+blas/xgemm.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT LinAlg/lapack+blas/xgemm.lo -MD -MP -MF LinAlg/lapack+blas/.deps/xgemm.Tpo -c ../ga-5-4/LinAlg/lapack+blas/xgemm.c -o LinAlg/lapack+blas/xgemm.o depbase=`echo global/src/base.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc 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global/src/.deps/base.Tpo -c ../ga-5-4/global/src/base.c -o global/src/base.o depbase=`echo global/src/capi.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/capi.lo -MD -MP -MF $depbase.Tpo -c -o global/src/capi.lo ../ga-5-4/global/src/capi.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c 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-fno-aggressive-loop-optimizations -MT global/src/matrix.lo -MD -MP -MF $depbase.Tpo -c -o global/src/matrix.lo ../ga-5-4/global/src/matrix.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/matrix.lo -MD -MP -MF global/src/.deps/matrix.Tpo -c ../ga-5-4/global/src/matrix.c -o global/src/matrix.o depbase=`echo global/src/nbutil.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/nbutil.lo -MD -MP -MF $depbase.Tpo -c -o global/src/nbutil.lo ../ga-5-4/global/src/nbutil.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/nbutil.lo -MD -MP -MF global/src/.deps/nbutil.Tpo -c ../ga-5-4/global/src/nbutil.c -o global/src/nbutil.o depbase=`echo global/src/onesided.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/onesided.lo -MD -MP -MF $depbase.Tpo -c -o global/src/onesided.lo ../ga-5-4/global/src/onesided.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/onesided.lo -MD -MP -MF global/src/.deps/onesided.Tpo -c ../ga-5-4/global/src/onesided.c -o global/src/onesided.o depbase=`echo global/src/peigstubs.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/peigstubs.lo -MD -MP -MF $depbase.Tpo -c -o global/src/peigstubs.lo ../ga-5-4/global/src/peigstubs.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/peigstubs.lo -MD -MP -MF global/src/.deps/peigstubs.Tpo -c ../ga-5-4/global/src/peigstubs.c -o global/src/peigstubs.o In file included from ../ga-5-4/global/src/peigstubs.c:2:0: ../ga-5-4/global/src/peigstubs.c:11:42: warning: type defaults to 'int' in declaration of 'gai_diag_' [-Wimplicit-int] # define gai_diag_ F77_FUNC_(gai_diag,GAI_DIAG) ^ ./config.h:116:30: note: in definition of macro 'F77_FUNC_' #define F77_FUNC_(name,NAME) name ## _ ^ ../ga-5-4/global/src/peigstubs.c:14:8: note: in expansion of macro 'gai_diag_' extern gai_diag_(Integer*,Integer*,Integer*,DoublePrecision*); ^ ../ga-5-4/global/src/peigstubs.c:12:42: warning: type defaults to 'int' in declaration of 'gai_diag_std_' [-Wimplicit-int] # define gai_diag_std_ F77_FUNC_(gai_diag_std,GAI_DIAG_STD) ^ ./config.h:116:30: note: in definition of macro 'F77_FUNC_' #define F77_FUNC_(name,NAME) name ## _ ^ ../ga-5-4/global/src/peigstubs.c:15:8: note: in expansion of macro 'gai_diag_std_' extern gai_diag_std_(Integer*,Integer*,DoublePrecision*); ^ ../ga-5-4/global/src/peigstubs.c:13:42: warning: type defaults to 'int' in declaration of 'gai_diag_reuse_' [-Wimplicit-int] # define gai_diag_reuse_ F77_FUNC_(gai_diag_reuse,GAI_DIAG_REUSE) ^ ./config.h:116:30: note: in definition of macro 'F77_FUNC_' #define F77_FUNC_(name,NAME) name ## _ ^ ../ga-5-4/global/src/peigstubs.c:16:8: note: in expansion of macro 'gai_diag_reuse_' extern gai_diag_reuse_(Integer*,Integer*,Integer*,Integer*,DoublePrecision*); ^ depbase=`echo global/src/sclstubs.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/sclstubs.lo -MD -MP -MF $depbase.Tpo -c -o global/src/sclstubs.lo ../ga-5-4/global/src/sclstubs.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/sclstubs.lo -MD -MP -MF global/src/.deps/sclstubs.Tpo -c ../ga-5-4/global/src/sclstubs.c -o global/src/sclstubs.o In file included from ../ga-5-4/global/src/sclstubs.c:2:0: ../ga-5-4/global/src/sclstubs.c: In function 'pnga_lu_solve_alt': ../ga-5-4/global/src/sclstubs.c:12:40: warning: implicit declaration of function 'gai_lu_solve_alt_' [-Wimplicit-function-declaration] # define gai_lu_solve_alt_ F77_FUNC_(gai_lu_solve_alt,GAI_LU_SOLVE_ALT) ^ ./config.h:116:30: note: in definition of macro 'F77_FUNC_' #define F77_FUNC_(name,NAME) name ## _ ^ ../ga-5-4/global/src/sclstubs.c:50:5: note: in expansion of macro 'gai_lu_solve_alt_' gai_lu_solve_alt_(&tran, &g_a, &g_b); ^ ../ga-5-4/global/src/sclstubs.c: In function 'pnga_llt_solve': ../ga-5-4/global/src/sclstubs.c:13:37: warning: implicit declaration of function 'gai_llt_solve_' [-Wimplicit-function-declaration] # define gai_llt_solve_ F77_FUNC_(gai_llt_solve,GAI_LLT_SOLVE) ^ ./config.h:116:30: note: in definition of macro 'F77_FUNC_' #define F77_FUNC_(name,NAME) name ## _ ^ ../ga-5-4/global/src/sclstubs.c:90:12: note: in expansion of macro 'gai_llt_solve_' return gai_llt_solve_(&g_a, &g_b); ^ ../ga-5-4/global/src/sclstubs.c: In function 'pnga_solve': ../ga-5-4/global/src/sclstubs.c:14:33: warning: implicit declaration of function 'gai_solve_' [-Wimplicit-function-declaration] # define gai_solve_ F77_FUNC_(gai_solve,GAI_SOLVE) ^ ./config.h:116:30: note: in definition of macro 'F77_FUNC_' #define F77_FUNC_(name,NAME) name ## _ ^ ../ga-5-4/global/src/sclstubs.c:107:12: note: in expansion of macro 'gai_solve_' return gai_solve_(&g_a, &g_b); ^ ../ga-5-4/global/src/sclstubs.c: In function 'pnga_spd_invert': ../ga-5-4/global/src/sclstubs.c:15:38: warning: implicit declaration of function 'gai_spd_invert_' [-Wimplicit-function-declaration] # define gai_spd_invert_ F77_FUNC_(gai_spd_invert,GAI_SPD_INVERT) ^ ./config.h:116:30: note: in definition of macro 'F77_FUNC_' #define F77_FUNC_(name,NAME) name ## _ ^ ../ga-5-4/global/src/sclstubs.c:124:12: note: in expansion of macro 'gai_spd_invert_' return gai_spd_invert_(&g_a); ^ depbase=`echo global/src/select.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/select.lo -MD -MP -MF $depbase.Tpo -c -o global/src/select.lo ../ga-5-4/global/src/select.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/select.lo -MD -MP -MF global/src/.deps/select.Tpo -c ../ga-5-4/global/src/select.c -o global/src/select.o depbase=`echo global/src/sparse.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/sparse.lo -MD -MP -MF $depbase.Tpo -c -o global/src/sparse.lo ../ga-5-4/global/src/sparse.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/sparse.lo -MD -MP -MF global/src/.deps/sparse.Tpo -c ../ga-5-4/global/src/sparse.c -o global/src/sparse.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o global/src/complex.lo ../ga-5-4/global/src/complex.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/global/src/complex.F -o global/src/complex.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o global/src/ga_diag_seq.lo ../ga-5-4/global/src/ga_diag_seq.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/global/src/ga_diag_seq.F -o global/src/ga_diag_seq.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o global/src/rsg.lo ../ga-5-4/global/src/rsg.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/global/src/rsg.F -o global/src/rsg.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o global/src/ga_diag.lo ../ga-5-4/global/src/ga_diag.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/global/src/ga_diag.F -o global/src/ga_diag.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o global/src/scalapack.lo ../ga-5-4/global/src/scalapack.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/global/src/scalapack.F -o global/src/scalapack.o depbase=`echo pario/dra/buffers.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/buffers.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/buffers.lo ../ga-5-4/pario/dra/buffers.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/buffers.lo -MD -MP -MF pario/dra/.deps/buffers.Tpo -c ../ga-5-4/pario/dra/buffers.c -o pario/dra/buffers.o depbase=`echo pario/dra/capi.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/capi.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/capi.lo ../ga-5-4/pario/dra/capi.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/capi.lo -MD -MP -MF pario/dra/.deps/capi.Tpo -c ../ga-5-4/pario/dra/capi.c -o pario/dra/capi.o depbase=`echo pario/dra/disk.arrays.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/disk.arrays.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/disk.arrays.lo ../ga-5-4/pario/dra/disk.arrays.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/disk.arrays.lo -MD -MP -MF pario/dra/.deps/disk.arrays.Tpo -c ../ga-5-4/pario/dra/disk.arrays.c -o pario/dra/disk.arrays.o depbase=`echo pario/dra/disk.param.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/disk.param.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/disk.param.lo ../ga-5-4/pario/dra/disk.param.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/disk.param.lo -MD -MP -MF pario/dra/.deps/disk.param.Tpo -c ../ga-5-4/pario/dra/disk.param.c -o pario/dra/disk.param.o depbase=`echo pario/dra/env.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/env.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/env.lo ../ga-5-4/pario/dra/env.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/env.lo -MD -MP -MF pario/dra/.deps/env.Tpo -c ../ga-5-4/pario/dra/env.c -o pario/dra/env.o depbase=`echo pario/dra/fortran.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/fortran.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/fortran.lo ../ga-5-4/pario/dra/fortran.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/fortran.lo -MD -MP -MF pario/dra/.deps/fortran.Tpo -c ../ga-5-4/pario/dra/fortran.c -o pario/dra/fortran.o depbase=`echo pario/dra/patch.util.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/patch.util.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/patch.util.lo ../ga-5-4/pario/dra/patch.util.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/patch.util.lo -MD -MP -MF pario/dra/.deps/patch.util.Tpo -c ../ga-5-4/pario/dra/patch.util.c -o pario/dra/patch.util.o depbase=`echo pario/eaf/eaf.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/eaf/eaf.lo -MD -MP -MF $depbase.Tpo -c -o pario/eaf/eaf.lo ../ga-5-4/pario/eaf/eaf.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/eaf/eaf.lo -MD -MP -MF pario/eaf/.deps/eaf.Tpo -c ../ga-5-4/pario/eaf/eaf.c -o pario/eaf/eaf.o depbase=`echo pario/eaf/eaf_f2c.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/eaf/eaf_f2c.lo -MD -MP -MF $depbase.Tpo -c -o pario/eaf/eaf_f2c.lo ../ga-5-4/pario/eaf/eaf_f2c.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/eaf/eaf_f2c.lo -MD -MP -MF pario/eaf/.deps/eaf_f2c.Tpo -c ../ga-5-4/pario/eaf/eaf_f2c.c -o pario/eaf/eaf_f2c.o depbase=`echo pario/elio/elio.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/elio/elio.lo -MD -MP -MF $depbase.Tpo -c -o pario/elio/elio.lo ../ga-5-4/pario/elio/elio.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/elio/elio.lo -MD -MP -MF pario/elio/.deps/elio.Tpo -c ../ga-5-4/pario/elio/elio.c -o pario/elio/elio.o depbase=`echo pario/elio/stat.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma 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pario/elio/stat.o depbase=`echo pario/sf/sf_capi.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/sf/sf_capi.lo -MD -MP -MF $depbase.Tpo -c -o pario/sf/sf_capi.lo ../ga-5-4/pario/sf/sf_capi.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/sf/sf_capi.lo -MD -MP -MF pario/sf/.deps/sf_capi.Tpo -c ../ga-5-4/pario/sf/sf_capi.c -o pario/sf/sf_capi.o depbase=`echo pario/sf/sf_fortran.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/sf/sf_fortran.lo -MD -MP -MF $depbase.Tpo -c -o pario/sf/sf_fortran.lo ../ga-5-4/pario/sf/sf_fortran.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/sf/sf_fortran.lo -MD -MP -MF pario/sf/.deps/sf_fortran.Tpo -c ../ga-5-4/pario/sf/sf_fortran.c -o pario/sf/sf_fortran.o depbase=`echo pario/sf/shared.files.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/sf/shared.files.lo -MD -MP -MF $depbase.Tpo -c -o pario/sf/shared.files.lo ../ga-5-4/pario/sf/shared.files.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/sf/shared.files.lo -MD -MP -MF pario/sf/.deps/shared.files.Tpo -c ../ga-5-4/pario/sf/shared.files.c -o pario/sf/shared.files.o depbase=`echo gaf2c/gaf2c.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra 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-I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/capi.lo -MD -MP -MF tcgmsg/.deps/capi.Tpo -c ../ga-5-4/tcgmsg/capi.c -o tcgmsg/capi.o depbase=`echo tcgmsg/fapi.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/fapi.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/fapi.lo ../ga-5-4/tcgmsg/fapi.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/fapi.lo -MD -MP -MF tcgmsg/.deps/fapi.Tpo -c ../ga-5-4/tcgmsg/fapi.c -o tcgmsg/fapi.o depbase=`echo tcgmsg/tcgmsg-mpi/checkbyte.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/checkbyte.lo -MD -MP -MF $depbase.Tpo -c -o 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-I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/p2p.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/p2p.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/p2p.c -o tcgmsg/tcgmsg-mpi/p2p.o depbase=`echo tcgmsg/tcgmsg-mpi/pbeginf.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/pbeginf.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/pbeginf.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/pbeginf.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/pbeginf.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/pbeginf.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/pbeginf.c -o tcgmsg/tcgmsg-mpi/pbeginf.o depbase=`echo tcgmsg/tcgmsg-mpi/pfilecopy.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/pfilecopy.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/pfilecopy.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/pfilecopy.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/pfilecopy.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/pfilecopy.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/pfilecopy.c -o tcgmsg/tcgmsg-mpi/pfilecopy.o depbase=`echo tcgmsg/tcgmsg-mpi/sizeof.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/sizeof.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/sizeof.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/sizeof.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/sizeof.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/sizeof.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/sizeof.c -o tcgmsg/tcgmsg-mpi/sizeof.o /bin/sh ./libtool --tag=F77 --mode=link ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -o libga.la -rpath /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib compat/random.lo ma/error.lo ma/f2c.lo ma/ma.lo ma/string-util.lo ma/table.lo ma/maf.lo LinAlg/lapack+blas/gal_cgemm.lo LinAlg/lapack+blas/gal_daxpy.lo LinAlg/lapack+blas/gal_dcabs1.lo LinAlg/lapack+blas/gal_dcopy.lo LinAlg/lapack+blas/gal_ddot.lo LinAlg/lapack+blas/gal_dgemm.lo LinAlg/lapack+blas/gal_dgemv.lo LinAlg/lapack+blas/gal_dger.lo LinAlg/lapack+blas/gal_dgetf2.lo LinAlg/lapack+blas/gal_dgetrf.lo LinAlg/lapack+blas/gal_dgetrs.lo LinAlg/lapack+blas/gal_disnan.lo LinAlg/lapack+blas/gal_dlacpy.lo LinAlg/lapack+blas/gal_dlae2.lo LinAlg/lapack+blas/gal_dlaev2.lo LinAlg/lapack+blas/gal_dlaisnan.lo LinAlg/lapack+blas/gal_dlamch.lo LinAlg/lapack+blas/gal_dlanst.lo LinAlg/lapack+blas/gal_dlansy.lo LinAlg/lapack+blas/gal_dlapy2.lo LinAlg/lapack+blas/gal_dlarfb.lo LinAlg/lapack+blas/gal_dlarf.lo LinAlg/lapack+blas/gal_dlarfg.lo LinAlg/lapack+blas/gal_dlarft.lo LinAlg/lapack+blas/gal_dlartg.lo LinAlg/lapack+blas/gal_dlascl.lo LinAlg/lapack+blas/gal_dlaset.lo LinAlg/lapack+blas/gal_dlasr.lo LinAlg/lapack+blas/gal_dlasrt.lo LinAlg/lapack+blas/gal_dlassq.lo LinAlg/lapack+blas/gal_dlaswp.lo LinAlg/lapack+blas/gal_dlatrd.lo LinAlg/lapack+blas/gal_dnrm2.lo LinAlg/lapack+blas/gal_dorg2l.lo LinAlg/lapack+blas/gal_dorg2r.lo LinAlg/lapack+blas/gal_dorgql.lo LinAlg/lapack+blas/gal_dorgqr.lo LinAlg/lapack+blas/gal_dorgtr.lo LinAlg/lapack+blas/gal_dpotf2.lo LinAlg/lapack+blas/gal_dpotrf.lo LinAlg/lapack+blas/gal_dscal.lo LinAlg/lapack+blas/gal_dsteqr.lo LinAlg/lapack+blas/gal_dsterf.lo LinAlg/lapack+blas/gal_dswap.lo LinAlg/lapack+blas/gal_dsyev.lo LinAlg/lapack+blas/gal_dsygs2.lo LinAlg/lapack+blas/gal_dsygst.lo LinAlg/lapack+blas/gal_dsygv.lo LinAlg/lapack+blas/gal_dsymm.lo LinAlg/lapack+blas/gal_dsymv.lo LinAlg/lapack+blas/gal_dsyr2.lo LinAlg/lapack+blas/gal_dsyr2k.lo LinAlg/lapack+blas/gal_dsyrk.lo LinAlg/lapack+blas/gal_dsytd2.lo LinAlg/lapack+blas/gal_dsytrd.lo LinAlg/lapack+blas/gal_dtrmm.lo LinAlg/lapack+blas/gal_dtrmv.lo LinAlg/lapack+blas/gal_dtrsm.lo LinAlg/lapack+blas/gal_dtrsv.lo LinAlg/lapack+blas/gal_idamax.lo LinAlg/lapack+blas/gal_ieeeck.lo LinAlg/lapack+blas/gal_iladlc.lo LinAlg/lapack+blas/gal_iladlr.lo LinAlg/lapack+blas/gal_ilaenv.lo LinAlg/lapack+blas/gal_iparmq.lo LinAlg/lapack+blas/gal_lsame.lo LinAlg/lapack+blas/gal_sgemm.lo LinAlg/lapack+blas/gal_xerbla.lo LinAlg/lapack+blas/gal_zaxpy.lo LinAlg/lapack+blas/gal_zgemm.lo LinAlg/lapack+blas/xgemm.lo global/src/base.lo global/src/capi.lo global/src/collect.lo global/src/datatypes.lo global/src/decomp.lo global/src/DP.lo global/src/elem_alg.lo global/src/fapi.lo global/src/ga_diag_seqc.lo global/src/ga_malloc.lo global/src/ga_solve_seq.lo global/src/ga_symmetr.lo global/src/ga_trace.lo global/src/ghosts.lo global/src/global.nalg.lo global/src/global.npatch.lo global/src/global.periodic.lo global/src/global.util.lo global/src/hsort.scat.lo global/src/matmul.lo global/src/matrix.lo global/src/nbutil.lo global/src/onesided.lo global/src/peigstubs.lo global/src/sclstubs.lo global/src/select.lo global/src/sparse.lo global/src/complex.lo global/src/ga_diag_seq.lo global/src/rsg.lo global/src/ga_diag.lo global/src/scalapack.lo pario/dra/buffers.lo pario/dra/capi.lo pario/dra/disk.arrays.lo pario/dra/disk.param.lo pario/dra/env.lo pario/dra/fortran.lo pario/dra/patch.util.lo pario/eaf/eaf.lo pario/eaf/eaf_f2c.lo pario/elio/elio.lo pario/elio/stat.lo pario/sf/sf_capi.lo pario/sf/sf_fortran.lo pario/sf/shared.files.lo gaf2c/gaf2c.lo gaf2c/drand.lo gaf2c/farg.lo tcgmsg/capi.lo tcgmsg/fapi.lo tcgmsg/tcgmsg-mpi/checkbyte.lo tcgmsg/tcgmsg-mpi/clustercheck.lo tcgmsg/tcgmsg-mpi/collect.lo tcgmsg/tcgmsg-mpi/drand48.lo tcgmsg/tcgmsg-mpi/evlog.lo tcgmsg/tcgmsg-mpi/evon.lo tcgmsg/tcgmsg-mpi/llog.lo tcgmsg/tcgmsg-mpi/misc.lo tcgmsg/tcgmsg-mpi/niceftn.lo tcgmsg/tcgmsg-mpi/nxtval-armci.lo tcgmsg/tcgmsg-mpi/p2p.lo tcgmsg/tcgmsg-mpi/pbeginf.lo tcgmsg/tcgmsg-mpi/pfilecopy.lo tcgmsg/tcgmsg-mpi/sizeof.lo -lsci_gnu -lsci_gnu -lsci_gnu comex/libarmci.la copying selected object files to avoid basename conflicts... libtool: link: ln pario/dra/capi.o .libs/libga.lax/lt1-capi.o || cp pario/dra/capi.o .libs/libga.lax/lt1-capi.o libtool: link: ln tcgmsg/capi.o .libs/libga.lax/lt2-capi.o || cp tcgmsg/capi.o .libs/libga.lax/lt2-capi.o libtool: link: ln tcgmsg/fapi.o .libs/libga.lax/lt3-fapi.o || cp tcgmsg/fapi.o .libs/libga.lax/lt3-fapi.o libtool: link: ln tcgmsg/tcgmsg-mpi/collect.o .libs/libga.lax/lt4-collect.o || cp tcgmsg/tcgmsg-mpi/collect.o .libs/libga.lax/lt4-collect.o libtool: link: ar cru .libs/libga.a compat/random.o ma/error.o ma/f2c.o ma/ma.o ma/string-util.o ma/table.o ma/maf.o LinAlg/lapack+blas/gal_cgemm.o LinAlg/lapack+blas/gal_daxpy.o LinAlg/lapack+blas/gal_dcabs1.o LinAlg/lapack+blas/gal_dcopy.o LinAlg/lapack+blas/gal_ddot.o LinAlg/lapack+blas/gal_dgemm.o LinAlg/lapack+blas/gal_dgemv.o LinAlg/lapack+blas/gal_dger.o LinAlg/lapack+blas/gal_dgetf2.o LinAlg/lapack+blas/gal_dgetrf.o LinAlg/lapack+blas/gal_dgetrs.o LinAlg/lapack+blas/gal_disnan.o LinAlg/lapack+blas/gal_dlacpy.o LinAlg/lapack+blas/gal_dlae2.o LinAlg/lapack+blas/gal_dlaev2.o LinAlg/lapack+blas/gal_dlaisnan.o LinAlg/lapack+blas/gal_dlamch.o LinAlg/lapack+blas/gal_dlanst.o LinAlg/lapack+blas/gal_dlansy.o LinAlg/lapack+blas/gal_dlapy2.o LinAlg/lapack+blas/gal_dlarfb.o LinAlg/lapack+blas/gal_dlarf.o LinAlg/lapack+blas/gal_dlarfg.o LinAlg/lapack+blas/gal_dlarft.o LinAlg/lapack+blas/gal_dlartg.o LinAlg/lapack+blas/gal_dlascl.o LinAlg/lapack+blas/gal_dlaset.o LinAlg/lapack+blas/gal_dlasr.o LinAlg/lapack+blas/gal_dlasrt.o LinAlg/lapack+blas/gal_dlassq.o LinAlg/lapack+blas/gal_dlaswp.o LinAlg/lapack+blas/gal_dlatrd.o LinAlg/lapack+blas/gal_dnrm2.o LinAlg/lapack+blas/gal_dorg2l.o LinAlg/lapack+blas/gal_dorg2r.o LinAlg/lapack+blas/gal_dorgql.o LinAlg/lapack+blas/gal_dorgqr.o LinAlg/lapack+blas/gal_dorgtr.o LinAlg/lapack+blas/gal_dpotf2.o LinAlg/lapack+blas/gal_dpotrf.o LinAlg/lapack+blas/gal_dscal.o LinAlg/lapack+blas/gal_dsteqr.o LinAlg/lapack+blas/gal_dsterf.o LinAlg/lapack+blas/gal_dswap.o LinAlg/lapack+blas/gal_dsyev.o LinAlg/lapack+blas/gal_dsygs2.o LinAlg/lapack+blas/gal_dsygst.o LinAlg/lapack+blas/gal_dsygv.o LinAlg/lapack+blas/gal_dsymm.o LinAlg/lapack+blas/gal_dsymv.o LinAlg/lapack+blas/gal_dsyr2.o LinAlg/lapack+blas/gal_dsyr2k.o LinAlg/lapack+blas/gal_dsyrk.o LinAlg/lapack+blas/gal_dsytd2.o LinAlg/lapack+blas/gal_dsytrd.o LinAlg/lapack+blas/gal_dtrmm.o LinAlg/lapack+blas/gal_dtrmv.o LinAlg/lapack+blas/gal_dtrsm.o LinAlg/lapack+blas/gal_dtrsv.o LinAlg/lapack+blas/gal_idamax.o LinAlg/lapack+blas/gal_ieeeck.o LinAlg/lapack+blas/gal_iladlc.o LinAlg/lapack+blas/gal_iladlr.o LinAlg/lapack+blas/gal_ilaenv.o LinAlg/lapack+blas/gal_iparmq.o LinAlg/lapack+blas/gal_lsame.o LinAlg/lapack+blas/gal_sgemm.o LinAlg/lapack+blas/gal_xerbla.o LinAlg/lapack+blas/gal_zaxpy.o LinAlg/lapack+blas/gal_zgemm.o LinAlg/lapack+blas/xgemm.o global/src/base.o global/src/capi.o global/src/collect.o global/src/datatypes.o global/src/decomp.o global/src/DP.o global/src/elem_alg.o global/src/fapi.o global/src/ga_diag_seqc.o global/src/ga_malloc.o global/src/ga_solve_seq.o global/src/ga_symmetr.o global/src/ga_trace.o global/src/ghosts.o global/src/global.nalg.o global/src/global.npatch.o global/src/global.periodic.o global/src/global.util.o global/src/hsort.scat.o global/src/matmul.o global/src/matrix.o global/src/nbutil.o global/src/onesided.o global/src/peigstubs.o global/src/sclstubs.o global/src/select.o global/src/sparse.o global/src/complex.o global/src/ga_diag_seq.o global/src/rsg.o global/src/ga_diag.o global/src/scalapack.o pario/dra/buffers.o .libs/libga.lax/lt1-capi.o pario/dra/disk.arrays.o pario/dra/disk.param.o pario/dra/env.o pario/dra/fortran.o pario/dra/patch.util.o pario/eaf/eaf.o pario/eaf/eaf_f2c.o pario/elio/elio.o pario/elio/stat.o pario/sf/sf_capi.o pario/sf/sf_fortran.o pario/sf/shared.files.o gaf2c/gaf2c.o gaf2c/drand.o gaf2c/farg.o .libs/libga.lax/lt2-capi.o .libs/libga.lax/lt3-fapi.o tcgmsg/tcgmsg-mpi/checkbyte.o tcgmsg/tcgmsg-mpi/clustercheck.o .libs/libga.lax/lt4-collect.o tcgmsg/tcgmsg-mpi/drand48.o tcgmsg/tcgmsg-mpi/evlog.o tcgmsg/tcgmsg-mpi/evon.o tcgmsg/tcgmsg-mpi/llog.o tcgmsg/tcgmsg-mpi/misc.o tcgmsg/tcgmsg-mpi/niceftn.o tcgmsg/tcgmsg-mpi/nxtval-armci.o tcgmsg/tcgmsg-mpi/p2p.o tcgmsg/tcgmsg-mpi/pbeginf.o tcgmsg/tcgmsg-mpi/pfilecopy.o tcgmsg/tcgmsg-mpi/sizeof.o libtool: link: ranlib .libs/libga.a libtool: link: rm -fr .libs/libga.lax libtool: link: ( cd ".libs" && rm -f "libga.la" && ln -s "../libga.la" "libga.la" ) depbase=`echo global/trace/adjust.o | sed 's|[^/]*$|.deps/&|;s|\.o$||'`;\ cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/trace/adjust.o -MD -MP -MF $depbase.Tpo -c -o global/trace/adjust.o ../ga-5-4/global/trace/adjust.c &&\ mv -f $depbase.Tpo $depbase.Po /bin/sh ./libtool --tag=CC --mode=link cc -fno-aggressive-loop-optimizations -o global/trace/adjust.x global/trace/adjust.o libtool: link: cc -fno-aggressive-loop-optimizations -o global/trace/adjust.x global/trace/adjust.o depbase=`echo global/trace/collisions.o | sed 's|[^/]*$|.deps/&|;s|\.o$||'`;\ cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/trace/collisions.o -MD -MP -MF $depbase.Tpo -c -o global/trace/collisions.o ../ga-5-4/global/trace/collisions.c &&\ mv -f $depbase.Tpo $depbase.Po /bin/sh ./libtool --tag=CC --mode=link cc -fno-aggressive-loop-optimizations -o global/trace/collisions.x global/trace/collisions.o libtool: link: cc -fno-aggressive-loop-optimizations -o global/trace/collisions.x global/trace/collisions.o make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' *** Installing Parallel Tools **** make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' make install-recursive make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' Making install in comex make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/comex' make install-am make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/comex' make[6]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/comex' /bin/mkdir -p '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib' /bin/sh ./libtool --mode=install /usr/bin/install -c libcomex.la libarmci.la '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib' libtool: install: /usr/bin/install -c .libs/libcomex.lai /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib/libcomex.la libtool: install: /usr/bin/install -c .libs/libarmci.lai /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib/libarmci.la libtool: install: /usr/bin/install -c .libs/libcomex.a /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib/libcomex.a libtool: install: chmod 644 /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib/libcomex.a libtool: install: ranlib /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib/libcomex.a libtool: install: /usr/bin/install -c .libs/libarmci.a /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib/libarmci.a libtool: install: chmod 644 /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib/libarmci.a libtool: install: ranlib /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib/libarmci.a libtool: finish: PATH="/opt/gcc/5.1.0/bin:/sw/tools/bin:/sw/tools/bin:/sw/EasyBuild/software/wget/1.19.4/bin:/sw/EasyBuild/software/git/2.17.0/bin:/sw/EasyBuild/software/cURL/7.59.0/bin:/sw/EasyBuild/software/OpenSSL/1.0.2m/bin:/sw/user/scripts:/sw/admin/scripts:/opt/xalt/0.7.6/sles11.3/libexec:/opt/xalt/0.7.6/sles11.3/bin:/usr/local/openssh/bin:/usr/local/openssh/libexec:/opt/cray/mpt/7.7.4/gni/bin:/opt/torque/6.1.2/sbin:/opt/torque/6.1.2/bin:/opt/moab/9.1.2.h6/sbin:/opt/cray/craype/2.5.16/bin:/opt/cray/llm/default/bin:/opt/cray/llm/default/etc:/opt/cray/xpmem/0.1-2.0502.64982.7.27.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/cray/lustre-cray_gem_s/2.5_3.0.101_0.46.1_1.0502.8871.45.1-1.0502.21728.75.4/sbin:/opt/cray/lustre-cray_gem_s/2.5_3.0.101_0.46.1_1.0502.8871.45.1-1.0502.21728.75.4/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/bin:/opt/cray/sdb/1.1-1.0502.63652.4.27.gem/bin:/opt/cray/nodestat/2.2-1.0502.60539.1.31.gem/bin:/opt/modules/3.2.10.5/bin:/opt/moab/9.1.2.h6/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:.:/usr/lib/qt3/bin:/opt/cray/bin:/sbin" ldconfig -n /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib ---------------------------------------------------------------------- Libraries have been installed in: /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib If you ever happen to want to link against installed libraries in a given directory, LIBDIR, you must either use libtool, and specify the full pathname of the library, or use the `-LLIBDIR' flag during linking and do at least one of the following: - add LIBDIR to the `LD_LIBRARY_PATH' environment variable during execution - add LIBDIR to the `LD_RUN_PATH' environment variable during linking - use the `-Wl,-rpath -Wl,LIBDIR' linker flag - have your system administrator add LIBDIR to `/etc/ld.so.conf' See any operating system documentation about shared libraries for more information, such as the ld(1) and ld.so(8) manual pages. ---------------------------------------------------------------------- /bin/mkdir -p '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include' /usr/bin/install -c -m 644 ../../ga-5-4/comex/src-common/comex.h ../../ga-5-4/comex/src-armci/armci.h ../../ga-5-4/comex/src-armci/message.h ../../ga-5-4/comex/src-armci/parmci.h '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include' make[6]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/comex' make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/comex' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build/comex' Making install in . make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' /bin/mkdir -p '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib' /bin/sh ./libtool --mode=install /usr/bin/install -c libga.la '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib' libtool: install: /usr/bin/install -c .libs/libga.lai /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib/libga.la libtool: install: /usr/bin/install -c .libs/libga.a /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib/libga.a libtool: install: chmod 644 /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib/libga.a libtool: install: ranlib /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib/libga.a libtool: finish: PATH="/opt/gcc/5.1.0/bin:/sw/tools/bin:/sw/tools/bin:/sw/EasyBuild/software/wget/1.19.4/bin:/sw/EasyBuild/software/git/2.17.0/bin:/sw/EasyBuild/software/cURL/7.59.0/bin:/sw/EasyBuild/software/OpenSSL/1.0.2m/bin:/sw/user/scripts:/sw/admin/scripts:/opt/xalt/0.7.6/sles11.3/libexec:/opt/xalt/0.7.6/sles11.3/bin:/usr/local/openssh/bin:/usr/local/openssh/libexec:/opt/cray/mpt/7.7.4/gni/bin:/opt/torque/6.1.2/sbin:/opt/torque/6.1.2/bin:/opt/moab/9.1.2.h6/sbin:/opt/cray/craype/2.5.16/bin:/opt/cray/llm/default/bin:/opt/cray/llm/default/etc:/opt/cray/xpmem/0.1-2.0502.64982.7.27.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/cray/lustre-cray_gem_s/2.5_3.0.101_0.46.1_1.0502.8871.45.1-1.0502.21728.75.4/sbin:/opt/cray/lustre-cray_gem_s/2.5_3.0.101_0.46.1_1.0502.8871.45.1-1.0502.21728.75.4/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/bin:/opt/cray/sdb/1.1-1.0502.63652.4.27.gem/bin:/opt/cray/nodestat/2.2-1.0502.60539.1.31.gem/bin:/opt/modules/3.2.10.5/bin:/opt/moab/9.1.2.h6/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:.:/usr/lib/qt3/bin:/opt/cray/bin:/sbin" ldconfig -n /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib ---------------------------------------------------------------------- Libraries have been installed in: /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib If you ever happen to want to link against installed libraries in a given directory, LIBDIR, you must either use libtool, and specify the full pathname of the library, or use the `-LLIBDIR' flag during linking and do at least one of the following: - add LIBDIR to the `LD_LIBRARY_PATH' environment variable during execution - add LIBDIR to the `LD_RUN_PATH' environment variable during linking - use the `-Wl,-rpath -Wl,LIBDIR' linker flag - have your system administrator add LIBDIR to `/etc/ld.so.conf' See any operating system documentation about shared libraries for more information, such as the ld(1) and ld.so(8) manual pages. ---------------------------------------------------------------------- /bin/mkdir -p '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/bin' /bin/sh ./libtool --mode=install /usr/bin/install -c global/trace/adjust.x global/trace/collisions.x '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/bin' libtool: install: /usr/bin/install -c global/trace/adjust.x /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/bin/adjust.x libtool: install: /usr/bin/install -c global/trace/collisions.x /mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/bin/collisions.x /bin/mkdir -p '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/bin' /usr/bin/install -c tools/ga-config '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/bin' /bin/mkdir -p '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include' /usr/bin/install -c -m 644 ../ga-5-4/ma/error.h ../ga-5-4/ma/macdecls.h ../ga-5-4/ma/macommon.h ../ga-5-4/ma/maf2c.fh ma/mafdecls.fh ma/matypes.h ../ga-5-4/ma/scope.h ../ga-5-4/ma/string-util.h ../ga-5-4/ma/table.h ../ga-5-4/global/src/gacommon.h ../ga-5-4/global/src/ga.h global/src/global.fh ../ga-5-4/global/src/ga-papi.h ../ga-5-4/global/src/ga-mpi.h ../ga-5-4/global/src/ga-mpi.fh ../ga-5-4/pario/dra/dra.fh ../ga-5-4/pario/dra/dra.h ../ga-5-4/pario/eaf/eaf.fh ../ga-5-4/pario/eaf/eaf.h ../ga-5-4/pario/elio/chemio.h ../ga-5-4/pario/elio/elio.h ../ga-5-4/pario/sf/coms.h ../ga-5-4/pario/sf/sf.fh ../ga-5-4/pario/sf/sf.h gaf2c/typesf2c.h gaf2c/farg.h ../ga-5-4/tcgmsg/tcgmsg.fh ../ga-5-4/tcgmsg/tcgmsg.h ../ga-5-4/tcgmsg/tcgmsg-mpi/msgtypesc.h ../ga-5-4/tcgmsg/tcgmsg-mpi/msgtypesf.h '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include' /bin/mkdir -p '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include' /usr/bin/install -c -m 644 global/src/ga-wapi.h '/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include' make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/build' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools' Making libraries in include make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include' for dir in tools include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca 64to32blas; do \ echo Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/$dir ; \ (cd /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/$dir; make include_stamp) ; \ done Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools' make[2]: *** No rule to make target `include_stamp'. Stop. make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include' Nothing to be done make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis' cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' cp -p geom.fh geomP.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' cp -p inp.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat' cp -p pstat.fh pstat_consts.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' Making include_stamp in hdbm make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' cp -p hdbm.h /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' cp -p sym.fh ../NWints/auxil/spcartP.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' Making include_stamp in md5 make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util/md5' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util/md5' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util/md5' cp -p checksum.h /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util/md5' cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' cp -p dist.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' cp -p bq.fh bq_params.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints' Making include_stamp in api make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' Making include_stamp in int make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' cp -p sh_order.fh case.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' Making include_stamp in auxil make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' cp -p spcartP.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' Making include_stamp in ints_sp make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' Making include_stamp in deriv make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' cp -p ../int/sh_order.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' Making include_stamp in texas make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' cp -p screened_op.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' Making include_stamp in ecp make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' cp -p ecp_nwc.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' Making include_stamp in hondo make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' Making include_stamp in rel make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' cp -p rel_consts.fh rel_nwc.fh zora.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' Making include_stamp in dk make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' Making include_stamp in fast make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cint2esave.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' cp -p moints_stats.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I./include -I./grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft' Making include_stamp in include make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/include' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/include' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/include' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/include' Making include_stamp in input_dft make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/input_dft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/input_dft' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/input_dft' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/input_dft' Making include_stamp in scf_dft make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' cp -p dftps.fh dft_fdist.fh dft_conv.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' Making include_stamp in scf_dft_cg make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft_cg' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft_cg' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft_cg' cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft_cg' Making include_stamp in so_dft make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/so_dft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/so_dft' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/so_dft' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/so_dft' Making include_stamp in coulomb make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' Making include_stamp in xc make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' Making include_stamp in util make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' Making include_stamp in grid make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' Making include_stamp in dftgrad make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' Making include_stamp in lr_tddft make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft' Making include_stamp in lr_tddft_grad make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft_grad' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft_grad' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft_grad' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft_grad' Making include_stamp in zora make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' Making include_stamp in spec make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' Making include_stamp in rt_tddft make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft' Making include_stamp in matutils make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/matutils' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/matutils' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/matutils' cp -p matutils.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/matutils' Making include_stamp in rtutils make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/rtutils' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/rtutils' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/rtutils' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/rtutils' Making include_stamp in input make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/input' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/input' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/input' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/input' Making include_stamp in init make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/init' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/init' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/init' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/init' Making include_stamp in canorg make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/canorg' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/canorg' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/canorg' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/canorg' Making include_stamp in propagators make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/propagators' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/propagators' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/propagators' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/propagators' Making include_stamp in closedshell make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/closedshell' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/closedshell' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/closedshell' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/closedshell' Making include_stamp in openshell make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/openshell' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/openshell' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/openshell' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/openshell' cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft' cp -p ../ddscf/cosmo.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim' Making include_stamp in deloc make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' Making include_stamp in mepgs make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' Making include_stamp in tropt make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' Making include_stamp in neb make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' Making include_stamp in string make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf' Making include_stamp in detci make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian' Making include_stamp in analytic make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' Making include_stamp in dft make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../../nwdft/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' cp -p hess_info.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' cp -p prop.fh atomdata.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw' Making include_stamp in nwpwlib make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib' Making include_stamp in Parallel make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' cp -p stupid_mpi4.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' Making include_stamp in D1dB make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' Making include_stamp in D3dB make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' Making include_stamp in Pneb make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' Making include_stamp in K1dB make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' Making include_stamp in C3dB make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' Making include_stamp in DMatrix make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' Making include_stamp in CMatrix make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' Making include_stamp in control make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' Making include_stamp in lattice make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' Making include_stamp in io make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' Making include_stamp in ion make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' Making include_stamp in shake make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' Making include_stamp in grimme_sh make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' Making include_stamp in pseudopotential make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' Making include_stamp in paw_atom make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' Making include_stamp in utilities make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' Making include_stamp in paw_utilities make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' cp -p bafdecls.fh btdb.fh beom.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' Making include_stamp in unitcell make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' Making include_stamp in brillouin_zone make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' Making include_stamp in fractional make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' cp -p frac_occ.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' Making include_stamp in linesearch make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' Making include_stamp in timing make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' Making include_stamp in ewald make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' Making include_stamp in thermostats make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' Making include_stamp in MetaDynamics make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' Making include_stamp in TAMD make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' Making include_stamp in FMM make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' Making include_stamp in md_xs make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' Making include_stamp in FEFF6L make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib' Making include_stamp in libraryps make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' Making include_stamp in pspw make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw' Making include_stamp in lib make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib' Making include_stamp in psi make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' Making include_stamp in electron make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' Making include_stamp in ke make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' Making include_stamp in coulomb make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' Making include_stamp in exchange-correlation make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' Making include_stamp in sic make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' Making include_stamp in hfx make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' Making include_stamp in ion make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' Making include_stamp in psp make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' Making include_stamp in Grsm_list make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' Making include_stamp in aorbs make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' Making include_stamp in truncating_function make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib' Making include_stamp in kbpp make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' Making include_stamp in makepsi make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' Making include_stamp in cpsd make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' Making include_stamp in cgsd make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' Making include_stamp in analysis make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' Making include_stamp in APC make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' Making include_stamp in cell_optimize make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' Making include_stamp in qmmm make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' Making include_stamp in pspw_LJ make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' Making include_stamp in pspw_Q make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' Making include_stamp in pspw_Pair make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' Making include_stamp in mmq make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' Making include_stamp in charge make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' Making include_stamp in dplot make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' Making include_stamp in lcao make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw' Making include_stamp in paw make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw' Making include_stamp in paw_geometry make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_geometry' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_geometry' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_geometry' cp -p paw_geom.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_geometry' Making include_stamp in paw_ma make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' cp -p paw_ma.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' Making include_stamp in paw_utils make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' Making include_stamp in paw_basis make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' cp -p paw_basis.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' Making include_stamp in paw_proj make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' cp -p paw_proj.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' Making include_stamp in paw_matrix make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' cp -p paw_comp_charge_matrix.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' Making include_stamp in paw_ovlp make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' cp -p paw_ovlp_data.fh paw_ovlp.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' Making include_stamp in paw_comp_charge make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' cp -p paw_comp_charge_data.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' Making include_stamp in paw_special_functions make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' Making include_stamp in paw_gaunt make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' cp -p paw_gaunt.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' Making include_stamp in paw_kinetic make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' Making include_stamp in paw_vloc make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' cp -p paw_energy_vloc_atom.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' Making include_stamp in paw_ion_potential make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' cp -p paw_energy_ion_atom.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' Making include_stamp in paw_core make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' cp -p paw_energy_core_atom.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' Making include_stamp in paw_hartree make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' cp -p paw_energy_hartree_atom.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' Making include_stamp in paw_comp_pot make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' Making include_stamp in paw_mult make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' cp -p paw_mult_data.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' Making include_stamp in paw_nonlocal make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' Making include_stamp in paw_density make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' Making include_stamp in paw_xc make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' cp -p paw_xc.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' Making include_stamp in paw_force make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' cp -p paw_force_data.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' Making include_stamp in paw_Grsm_list make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' Making include_stamp in paw_psi make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' Making include_stamp in cpsd make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' Making include_stamp in cgsd make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' Making include_stamp in cell_optimize make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw' Making include_stamp in band make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' Making include_stamp in minimizer make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' Making include_stamp in structure make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' Making include_stamp in cpsd make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' Making include_stamp in cell_optimize make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' Making include_stamp in kbpp make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' Making include_stamp in makepsi make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' Making include_stamp in lib make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib' Making include_stamp in cpsp make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' Making include_stamp in ke make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' Making include_stamp in coulomb make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' Making include_stamp in electron make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' Making include_stamp in psi make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' Making include_stamp in hfx make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' Making include_stamp in Grsm_list make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' Making include_stamp in borbs make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib' Making include_stamp in dplot make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' Making include_stamp in analysis make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' Making include_stamp in ofpw make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' Making include_stamp in minimizer make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' Making include_stamp in cpsd make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' Making include_stamp in lib make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib' Making include_stamp in chi make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' Making include_stamp in electron make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' Making include_stamp in ke make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/ke' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/ke' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/ke' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/ke' Making include_stamp in WGC make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' touch include_stamp make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' cp -p ../nwxc/nwxc.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft' Making include_stamp in pfft1.0 make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0' Making include_stamp in fftpack make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' Making include_stamp in pfft make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' touch include_stamp make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0' Making include_stamp in pfftwrap make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' cp -p constants.fh md_common.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' Making include_stamp in include make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/include' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/include' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/include' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/include' Making include_stamp in diis make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' Making include_stamp in diis2 make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' Making include_stamp in diis3 make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' Making include_stamp in gradients make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' Making include_stamp in ccsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' Making include_stamp in ccsd_lambda make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' Making include_stamp in eomccsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' Making include_stamp in ccsd_t make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' Making include_stamp in cr-eomccsd_t make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' Making include_stamp in lrh make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' Making include_stamp in emb make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' Making include_stamp in response make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' Making include_stamp in ccsd_yr make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' Making include_stamp in ccsd_alpha make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' Making include_stamp in ccsd_beta make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' Making include_stamp in ccd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' Making include_stamp in lccd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' Making include_stamp in lccsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' Making include_stamp in qcisd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' Making include_stamp in cc3 make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' Making include_stamp in mbpt1 make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' Making include_stamp in mbpt2 make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' Making include_stamp in mbpt3 make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' Making include_stamp in mbpt4 make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' Making include_stamp in cis make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' Making include_stamp in cisd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' Making include_stamp in cisdt make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' Making include_stamp in cisdtq make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' Making include_stamp in ccsdt make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' Making include_stamp in ccsdt_lambda make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' Making include_stamp in eomccsdt make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' Making include_stamp in ccsd_act make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' Making include_stamp in eomccsd_act make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' Making include_stamp in cr_eomccsd_t_act make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' Making include_stamp in sort make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' touch include_stamp make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' make[2]: `include_stamp' is up to date. make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm' cp -p mm.fh mm_params.fh /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' make[2]: `include_stamp' is up to date. make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[2]: `include_stamp' is up to date. make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I../basis -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca' Making include_stamp in /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' touch include_stamp make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include' Making libraries in basis make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG basis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_contrib.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_checksum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG basisP.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_blas.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_blasP.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_vec_info.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/basis' Making libraries in geom make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_input2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_3d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_2d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_1d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_numcore.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_checksum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_print_ecce.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_freeze.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_fragment.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_getsym.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_hnd.F geom_hnd.F:4788:0: note: loop vectorized geom_hnd.F:4788:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:4788:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4763:0: note: loop vectorized geom_hnd.F:4763:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4714:0: note: loop vectorized geom_hnd.F:4714:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:4714:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4656:0: note: loop vectorized geom_hnd.F:4656:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4646:0: note: loop vectorized geom_hnd.F:4646:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:2890:0: note: loop vectorized geom_hnd.F:2890:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:2623:0: note: loop vectorized geom_hnd.F:2488:0: note: loop vectorized geom_hnd.F:2488:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:2334:0: note: loop vectorized geom_hnd.F:2225:0: note: loop vectorized geom_hnd.F:2225:0: note: loop vectorized geom_hnd.F:362:0: note: loop vectorized geom_hnd.F:362:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:997:0: note: loop vectorized geom_hnd.F:753:0: note: loop vectorized geom_hnd.F:610:0: note: loop vectorized geom_hnd.F:535:0: note: loop vectorized geom_hnd.F:498:0: note: loop vectorized geom_hnd.F:1607:0: note: loop vectorized geom_hnd.F:1529:0: note: loop vectorized geom_hnd.F:1273:0: note: loop vectorized geom_hnd.F:1269:0: note: loop vectorized geom_hnd.F:4515:0: note: loop vectorized geom_hnd.F:4515:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4788:0: note: loop vectorized geom_hnd.F:4788:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:4788:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4763:0: note: loop vectorized geom_hnd.F:4763:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4714:0: note: loop vectorized geom_hnd.F:4714:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:4714:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4656:0: note: loop vectorized geom_hnd.F:4656:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4646:0: note: loop vectorized geom_hnd.F:4646:0: note: loop peeled for vectorization to enhance alignment make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/geom' Making libraries in inp make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o c_inp.o c_inp.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_rdfree.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inp.F inp.F:27:19: data xback /'\\'/ ! Backslash ... note backslash for cpp 1 Warning: Initialization string starting at (1) was truncated to fit the variable (1/2) inp.F:392:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inp_irange.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inp_ilist.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/inp' Making libraries in input make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG input_parse.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG input_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG memory_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG input_set.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG input_title.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_inp_file.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG memory_def.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG speech_input.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwctask.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwctask.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwctask.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwctask.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/input' Making libraries in pstat make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_term.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_alloc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_on.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_off.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_pr_all.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_free.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_pr_han.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_pr_det.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/pstat' Making libraries in rtdb make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_HDBM -O3 -funroll-loops -ffast-math -O1 -o rtdb_f2c.o rtdb_f2c.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_HDBM -O3 -funroll-loops -ffast-math -O1 -o rtdb.o rtdb.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_HDBM -O3 -funroll-loops -ffast-math -O1 -o rtdb_seq.o rtdb_seq.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_HDBM -O3 -funroll-loops -ffast-math -O1 -o context.o context.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_HDBM -O3 -funroll-loops -ffast-math -O1 -o context_f2c.o context_f2c.c make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' Making all in hdbm make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o hdbm.o hdbm.c make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a hdbm.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb/hdbm' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rtdb' Making libraries in task make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_optimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_freq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_hessian.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_dynamics.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_thermo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_et.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_save_state.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include 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-I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_property.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_dntmc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_bsse.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_jefftce.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_ncc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_rfcf.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwctask.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwctask.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwctask.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/task' Making libraries in symmetry make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dosymops.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O gensym.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 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-I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_get_cart.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_grp_name.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_ap_cart.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_cent_map.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_num_ops.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_ops_get.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_pr_all.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_geom_prj.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cross_prod.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_op_cname.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_pr_ops.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG deter3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_op_clsfy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_tr_bs_op.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_bs_irrep.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_op_type.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_char_tab.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_pr_ctab.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_inv_op.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_mo_adapt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_g_sym.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wrcell.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O dctr.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_irrepname.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_abelian.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_mol.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_sym.F sym_sym.F:319:0: note: loop vectorized sym_sym.F:319:0: note: loop peeled for vectorization to enhance alignment sym_sym.F:349:0: note: loop vectorized sym_sym.F:349:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_mo_ap_op.F sym_mo_ap_op.F:126:0: note: loop vectorized sym_mo_ap_op.F:126:0: note: loop peeled for vectorization to enhance alignment sym_mo_ap_op.F:84:0: note: loop vectorized sym_mo_ap_op.F:84:0: note: loop peeled for vectorization to enhance alignment sym_mo_ap_op.F:126:0: note: loop vectorized sym_mo_ap_op.F:126:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_bas_op.F sym_bas_op.F:257:0: note: loop vectorized sym_bas_op.F:257:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_bs_ir_id.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_sh_pair.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/symmetry' Making libraries in util make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O output.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING errquit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ffflush.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING print_center.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_flush.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_sgroup.F cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_host.o util_host.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_date.o util_date.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING input_echo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_transpose.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_iter_diag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_maxelt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING nga_idamax.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_pcg_min.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING line_search.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_orth_vec.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_ran_fill.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_mix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_it_proj.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_screen.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_get_diag.F cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" 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-m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_mat2col.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_ch_brd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING two_ind_trn.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_pname.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING sread.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING swrite.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O banner.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_print.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_module_avail.F cp util_v_stub.F util_version.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_version.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_nwchem_version.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_ga_version.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_nwchem_paper.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_nwchem_srcdir.F cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING 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-DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_lkain_2cpl3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_io.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_xyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_ma.F cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_mpinap.o util_mpinap.c util_mpinap.c: In function 'util_mpinap_': util_mpinap.c:20:8: warning: implicit declaration of function 'ga_nodeid_' [-Wimplicit-function-declaration] myid=ga_nodeid_(); ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_lkain_2cpl3_ext.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_dgeev.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_nwsort.F cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_mygabcast.o util_mygabcast.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_getppn.o util_getppn.c util_getppn.c: In function 'util_getppn_': util_getppn.c:45:22: warning: implicit declaration of function 'GA_MPI_Comm_pgroup_default' [-Wimplicit-function-declaration] MPI_Comm ga_comm=GA_MPI_Comm_pgroup_default(); ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_units.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_intrsc2008.F cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_fadvise.o util_fadvise.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o linux_cpu.o linux_cpu.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING linux_shift.F cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o linux_random.o linux_random.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o erfc.o erfc.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o linux_printaff.o linux_printaff.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o linux_setfpucw.o linux_setfpucw.c make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/depend.x -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include > dependencies make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_matpow.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_pack.F util_pack.F:40:0: note: loop vectorized util_pack.F:40:0: note: loop peeled for vectorization to enhance alignment util_pack.F:100:0: note: loop vectorized util_pack.F:100:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING dabssum.F dabssum.F:9:0: note: loop vectorized dabssum.F:9:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING dabsmax.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec dfill.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ifill.f ifill.f:9:0: note: loop vectorized ifill.f:9:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING mabyte_fill.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_it_lsolve.F ga_it_lsolve.F:235:0: convg_ratio = rnorm/rnorm_prev ^ Warning: 'rnorm_prev' may be used uninitialized in this function [-Wmaybe-uninitialized] ga_it_lsolve.F:77:0: double precision rnorm, rnorm_prev, bnorm, convg_ratio ^ note: 'rnorm_prev' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_it_orth.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_orthog.F ga_orthog.F:176:0: note: loop vectorized ga_orthog.F:176:0: note: loop peeled for vectorization to enhance alignment ga_orthog.F:151:0: note: loop vectorized ga_orthog.F:151:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec idamin.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_jacobi.F util_jacobi.F:57:0: note: loop vectorized util_jacobi.F:57:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec util_rsg.f util_rsg.f:244:0: note: loop vectorized util_rsg.f:244:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:588:0: note: loop vectorized util_rsg.f:588:0: note: loop versioned for vectorization because of possible aliasing util_rsg.f:588:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:557:0: note: loop vectorized util_rsg.f:557:0: note: loop versioned for vectorization because of possible aliasing util_rsg.f:557:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:531:0: note: loop vectorized util_rsg.f:531:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:883:0: note: loop vectorized util_rsg.f:883:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:880:0: note: loop vectorized util_rsg.f:880:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:874:0: note: loop vectorized util_rsg.f:874:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:857:0: note: loop vectorized util_rsg.f:857:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:850:0: note: loop vectorized util_rsg.f:850:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:843:0: note: loop vectorized util_rsg.f:843:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:833:0: note: loop vectorized util_rsg.f:833:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:812:0: note: loop vectorized util_rsg.f:812:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:798:0: note: loop vectorized util_rsg.f:798:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:119:0: note: loop vectorized util_rsg.f:119:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:146:0: if (dabs(e2(l)) .le. dabs(c/h)) go to 210 ^ Warning: 'c' may be used uninitialized in this function [-Wmaybe-uninitialized] util_rsg.f:42:0: double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag ^ Warning: 'b' may be used uninitialized in this function [-Wmaybe-uninitialized] util_rsg.f:721:0: note: loop vectorized util_rsg.f:721:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:714:0: note: loop vectorized util_rsg.f:714:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:707:0: note: loop vectorized util_rsg.f:707:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:697:0: note: loop vectorized util_rsg.f:697:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:675:0: note: loop vectorized util_rsg.f:675:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:660:0: note: loop vectorized util_rsg.f:660:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:351:0: note: loop vectorized util_rsg.f:351:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:356:0: note: loop vectorized util_rsg.f:337:0: note: loop vectorized util_rsg.f:317:0: note: loop vectorized util_rsg.f:325:0: 60 b(j,i) = x / y ^ Warning: 'y' may be used uninitialized in this function [-Wmaybe-uninitialized] util_rsg.f:244:0: note: loop vectorized util_rsg.f:244:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING stpr_sjacobi.F stpr_sjacobi.F:228:0: note: loop vectorized stpr_sjacobi.F:228:0: note: loop versioned for vectorization because of possible aliasing stpr_sjacobi.F:228:0: note: loop peeled for vectorization to enhance alignment stpr_sjacobi.F:194:0: note: loop vectorized stpr_sjacobi.F:194:0: note: loop peeled for vectorization to enhance alignment stpr_sjacobi.F:177:0: note: loop vectorized stpr_sjacobi.F:177:0: note: loop versioned for vectorization because of possible aliasing stpr_sjacobi.F:177:0: note: loop peeled for vectorization to enhance alignment stpr_sjacobi.F:148:0: note: loop vectorized stpr_sjacobi.F:148:0: note: loop versioned for vectorization because of possible aliasing stpr_sjacobi.F:148:0: note: loop peeled for vectorization to enhance alignment stpr_sjacobi.F:79:0: note: loop vectorized stpr_sjacobi.F:79:0: note: loop peeled for vectorization to enhance alignment stpr_sjacobi.F:64:0: note: loop vectorized stpr_sjacobi.F:64:0: note: loop peeled for vectorization to enhance alignment cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -O1 -o util_memcpy.o util_memcpy.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -O1 -o ga_accback.o ga_accback.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -O1 -o ga_asymmetr.o ga_asymmetr.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -O1 -o util_gnxtval.o util_gnxtval.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING nxtask.F nxtask.F:131:0: end ^ Warning: '__result_nxtask' may be used uninitialized in this function [-Wmaybe-uninitialized] nxtask.F:23:0: integer function nxtask(nproc, ichunk) ^ note: '__result_nxtask' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_mirror.F util_mirror.F:104:27: call util_mirrstop(1,g_densrep) 1 Warning: Rank mismatch in argument 'g_densrep' at (1) (rank-1 and scalar) util_mirror.F:106:27: call util_mirrstop(1,g_densdis) 1 Warning: Rank mismatch in argument 'g_densrep' at (1) (rank-1 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_copy_dz.F ga_copy_dz.F:65:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec dgami.f dgami.f:351:0: DCSEVL = 0.5D0*(B0-B2) ^ Warning: 'b2' may be used uninitialized in this function [-Wmaybe-uninitialized] dgami.f:932:0: I = NOS + 1 - II ^ Warning: 'i' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_eri_cholesky.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_test_cholesky.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64\" -DNWCHEM_LONG_PATHS -DNWCHEM_SRCDIR="\"/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_sillysort.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec icopy.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec dsum.f dsum.f:35:0: note: loop vectorized dsum.f:35:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec dgefa.f make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' Making all in md5 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util/md5' cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O0 -g -g -o md5wrap.o md5wrap.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O0 -g -g -o md5.o md5.c make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util/md5' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a md5wrap.o md5.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util/md5' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util/md5' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_intrsc2008.o util_fadvise.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o icopy.o dsum.o dgefa.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/util' Making libraries in peigs make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs' (make lib ) || exit 1 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs' (cd ./src/c; make) make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/src/c' cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c clustrfix.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mgscs.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pscale.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c clustrxx5.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c clustrxx4.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pstein4.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pstein5.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c peigs_dlasq1.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c b_ortho.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c chol_bcst.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c choleski9.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c ci_entry.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c conjug22.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c de_sym.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c exit.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c exit2.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c forLL.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c forLU.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c gmax.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c inverse.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c lu_mxm2.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mapdif.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mapdif1.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c matmax.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mdif2b.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mdiff1.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mdiff2.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c memreq.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c memreq_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mgs5.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm25.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm5x.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm88.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm_ll1.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c onenorm.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c ortho.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspev_c.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspevx.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspgv_c.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspgvx.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdsptri.c ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c peigs_cmod.f cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pipe_fut.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pmmLSL.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pmmLUL.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pmmlsl2.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pxerbla.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c qsort.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c resid.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c residual.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c sfnorm.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c shellsort.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c soluf.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c sonenorm.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c soort.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c sort.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c sorteig.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c tred22.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c treesort3.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c tresid.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c util.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c xerbla.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mapchk.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdiff.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pgexit.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c reducemap.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pstebz10.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pstebz11.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c inv_it4.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c inv_it5.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c inv_it3.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c peigs_tldlfact.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c clustrf5.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c r_ritz.c ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c gdot.F ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpeigs.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/src/c' (cd ./src/f77; make) make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/src/f77' ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c inverm.F inverm.F:497:0: IC = ICD ^ Warning: 'icd' may be used uninitialized in this function [-Wmaybe-uninitialized] inverm.F:674:0: note: loop vectorized inverm.F:674:0: note: loop peeled for vectorization to enhance alignment inverm.F:666:0: note: loop vectorized inverm.F:666:0: note: loop peeled for vectorization to enhance alignment inverm.F:654:0: note: loop vectorized inverm.F:654:0: note: loop peeled for vectorization to enhance alignment inverm.F:641:0: note: loop vectorized inverm.F:641:0: note: loop peeled for vectorization to enhance alignment inverm.F:580:0: note: loop vectorized inverm.F:580:0: note: loop peeled for vectorization to enhance alignment inverm.F:567:0: note: loop vectorized inverm.F:567:0: note: loop peeled for vectorization to enhance alignment ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c damax.f damax.f:50:0: note: loop vectorized damax.f:57:0: note: loop vectorized damax.f:57:0: note: loop peeled for vectorization to enhance alignment ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c dlaebz2.F dlaebz2.F:580:0: note: loop vectorized dlaebz2.F:580:0: note: loop peeled for vectorization to enhance alignment dlaebz2.F:329:0: note: loop vectorized dlaebz2.F:329:0: note: loop peeled for vectorization to enhance alignment ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c dstebz3.F dstebz3.F:549:0: note: loop vectorized dstebz3.F:549:0: note: loop peeled for vectorization to enhance alignment dstebz3.F:420:0: note: loop vectorized dstebz3.F:420:0: note: loop peeled for vectorization to enhance alignment dstebz3.F:461:0: IF( IRANGE.EQ.1 .OR. ( WL.LT.D( IBEGIN )-PIVMIN .AND. WU.GE. ^ Warning: 'wu' may be used uninitialized in this function [-Wmaybe-uninitialized] dstebz3.F:461:0: Warning: 'wl' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c heapsort.f ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c neblw2.F ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c dspevx2.F ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c dgetavec.F ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c dgetavec2.f ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c dgetavec3.f ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c types1.f types1.f:53:0: note: loop vectorized types1.f:53:0: note: loop peeled for vectorization to enhance alignment ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c xerbl2.f ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c menode.f ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c pairup.f ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c xstop.f make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/src/f77' (cd ./comm; make) make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/comm' ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c mxbrod.F mxbrod.F:84:0: integer srcpos ^ Warning: 'srcpos' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c mxcombv1.F mxcombv1.F:135:0: integer prtnr, prtlpos ^ Warning: 'prtlpos' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c mxsubs.F mxsubs.F:571:0: ireslt = mxwrit (data,isize,ito,itype) ^ Warning: 'ireslt' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c sum.F sum.F:60:0: note: loop vectorized sum.F:60:0: note: loop peeled for vectorization to enhance alignment sum.F:72:0: note: loop vectorized sum.F:72:0: note: loop peeled for vectorization to enhance alignment sum.F:87:0: note: basic block vectorized ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c maxx.F maxx.F:69:0: note: loop vectorized maxx.F:69:0: note: loop peeled for vectorization to enhance alignment ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c peigs_dgop.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/comm' (cd ./ctof; make) make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/ctof' cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c bortho_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm25_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm5x_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm88_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c onenorm_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c ortho_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspev_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspevx_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspgv_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspgvx_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c resid_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c residual_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c sonenorm_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c tresid_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c choleski_f.c cc -O3 -funroll-loops -ffast-math -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c inverse_f.c make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs/ctof' rm -f libpeigs.a ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpeigs.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpeigs.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs' touch peigs_stamp.LINUX64 make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/peigs' Making libraries in perfm make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG perfm_start.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG perfm_end.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG perfm_flop.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o dist.o dist.c make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libperfm.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libperfm.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libperfm.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libperfm.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' Making libraries in bq make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bq_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bq_data.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bq_rtdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bq_main.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bq_force.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bq_checksum.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libbq.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libbq.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libbq.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libbq.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' Making libraries in cons make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cons_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cons.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cons_utils.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cons_springs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cons_rtdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cons_data.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcons.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcons.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcons.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcons.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' Making libraries in NWints make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG intgrl_input.F Making all in api make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS cando_sp.F cando_sp.F:294:0: #define USE_TEXAS ^ Warning: "USE_TEXAS" redefined <command-line>:18:0: note: this is the location of the previous definition ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS exact_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS exactd_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_1cg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_1e3ov.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_1estv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_2e2c.F int_2e2c.F:56:0: #define USE_TEXAS ^ Warning: "USE_TEXAS" redefined <command-line>:18:0: note: this is the location of the previous definition ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_2e3c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_acc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_canon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_chk_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_chk_sh.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_func_c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l1e3ov.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l1eall.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l1eh1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l1eke.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g 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-fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giaos10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giaotv10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giaobq10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giao_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_pso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_dso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_1epot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_1epot_cosmo.F intd_1epot_cosmo.F:140:48: & scrsize,scr(offset),nint,H1a,efc_c,efc_q,nefc) 1 Warning: Rank mismatch in argument 'efc_q' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_veloc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_angmom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giaos100.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_hf1sp.F int_hf1sp.F:583:56: c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ ^ Warning: backslash and newline separated by space int_hf1sp.F:674:0: note: loop vectorized int_hf1sp.F:674:0: note: loop versioned for vectorization because of possible aliasing int_hf1sp.F:674:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l2e4c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intb_init4c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intb_2e4c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_2e4c.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/api' Making all in int make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf3PEabc.F hf3PEabc.F:79:0: note: loop vectorized hf3PEabc.F:79:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf3mkr.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf3pot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG defNxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG getNxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG matchNxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf1mke3.f hf1mke3.f:200:0: note: loop vectorized hf1mke3.f:200:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:200:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:188:0: note: loop vectorized hf1mke3.f:188:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:188:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:179:0: note: loop vectorized hf1mke3.f:179:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:179:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:154:0: note: loop vectorized hf1mke3.f:154:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:154:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:142:0: note: loop vectorized hf1mke3.f:142:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:142:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:133:0: note: loop vectorized hf1mke3.f:133:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:133:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:112:0: note: loop vectorized hf1mke3.f:112:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:112:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:100:0: note: loop vectorized hf1mke3.f:100:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:100:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:91:0: note: loop vectorized hf1mke3.f:91:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:91:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf1mkr.f hf1mkr.f:148:0: note: loop vectorized hf1mkr.f:148:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf1set3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2mkr.F hf2mkr.F:147:0: note: loop vectorized hf2mkr.F:147:0: note: loop peeled for vectorization to enhance alignment hf2mkr.F:147:0: note: loop vectorized hf2mkr.F:147:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf2oi.f hf2oi.f:185:0: note: loop vectorized hf2oi.f:185:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf3OIs.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfabc.f hfabc.f:67:0: note: loop vectorized hfabc.f:67:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfctr3.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hferi.F hferi.F:176:0: note: loop vectorized hferi.F:176:0: note: loop peeled for vectorization to enhance alignment hferi.F:182:0: note: loop vectorized hferi.F:182:0: note: loop peeled for vectorization to enhance alignment hferi.F:189:0: note: loop vectorized hferi.F:189:0: note: loop peeled for vectorization to enhance alignment hferi.F:195:0: note: loop vectorized hferi.F:195:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hferi_gen.F hferi_gen.F:293:0: note: loop vectorized hferi_gen.F:293:0: note: loop peeled for vectorization to enhance alignment hferi_gen.F:271:0: note: loop vectorized hferi_gen.F:271:0: note: loop peeled for vectorization to enhance alignment hferi_gen.F:210:0: note: loop vectorized hferi_gen.F:210:0: note: loop peeled for vectorization to enhance alignment hferi_gen.F:192:0: note: loop vectorized hferi_gen.F:192:0: note: loop peeled for vectorization to enhance alignment hferi_gen.F:161:0: note: loop vectorized hferi_gen.F:161:0: note: loop peeled for vectorization to enhance alignment hferi_gen.F:168:0: note: loop vectorized hferi_gen.F:168:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfkei.f hfkei.f:395:0: note: loop vectorized hfkei.f:395:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfmke.F hfmke.F:73:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfmkr.F hfmkr.F:101:0: note: loop vectorized hfmkr.F:101:0: note: loop versioned for vectorization because of possible aliasing hfmkr.F:101:0: note: loop peeled for vectorization to enhance alignment hfmkr.F:112:0: note: loop vectorized hfmkr.F:112:0: note: loop versioned for vectorization because of possible aliasing hfmkr.F:112:0: note: loop peeled for vectorization to enhance alignment hfmkr.F:126:0: note: loop vectorized hfmkr.F:126:0: note: loop versioned for vectorization because of possible aliasing hfmkr.F:126:0: note: loop peeled for vectorization to enhance alignment hfmkr.F:137:0: note: loop vectorized hfmkr.F:137:0: note: loop versioned for vectorization because of possible aliasing hfmkr.F:137:0: note: loop peeled for vectorization to enhance alignment hfmkr.F:151:0: note: loop vectorized hfmkr.F:151:0: note: loop versioned for vectorization because of possible aliasing hfmkr.F:151:0: note: loop peeled for vectorization to enhance alignment hfmkr.F:162:0: note: loop vectorized hfmkr.F:162:0: note: loop versioned for vectorization because of possible aliasing hfmkr.F:162:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfnai.f hfnai.f:227:0: note: loop vectorized hfnai.f:227:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG igamma.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf_print.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfreord_pq.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf1_tran.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf1_er.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfnai_er.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG case_impl.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/int' Making all in auxil make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG do_chk_sum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG intb_chk_sum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xlmcoeff.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xlm_norm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_spcart2.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_norm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nmcoef.F nmcoef.F:85:0: note: loop vectorized nmcoef.F:85:0: note: loop peeled for vectorization to enhance alignment nmcoef.F:55:0: note: loop vectorized nmcoef.F:55:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_norm_2c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_chk_sum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_spcart.F int_spcart.F:941:0: note: loop vectorized int_spcart.F:941:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:828:0: note: loop vectorized int_spcart.F:828:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:1025:0: note: loop vectorized int_spcart.F:1025:0: note: loop versioned for vectorization because of possible aliasing int_spcart.F:1025:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:710:0: note: loop vectorized int_spcart.F:710:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:386:0: note: loop vectorized int_spcart.F:386:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:386:0: note: loop vectorized int_spcart.F:386:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:420:0: note: loop vectorized int_spcart.F:420:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nmcoef2c.F nmcoef2c.F:90:0: note: loop vectorized nmcoef2c.F:90:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/auxil' Making all in ints_sp make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp1111.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG genr70.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG init70.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qout70.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sinfo.F sinfo.F:170:0: note: loop vectorized sinfo.F:170:0: note: loop peeled for vectorization to enhance alignment sinfo.F:177:0: note: loop vectorized sinfo.F:177:0: note: loop peeled for vectorization to enhance alignment sinfo.F:184:0: note: loop vectorized sinfo.F:184:0: note: loop peeled for vectorization to enhance alignment sinfo.F:148:0: note: loop vectorized sinfo.F:155:0: note: loop vectorized sinfo.F:162:0: note: loop vectorized sinfo.F:118:0: note: loop vectorized sinfo.F:118:0: note: loop peeled for vectorization to enhance alignment sinfo.F:125:0: note: loop vectorized sinfo.F:125:0: note: loop peeled for vectorization to enhance alignment sinfo.F:132:0: note: loop vectorized sinfo.F:132:0: note: loop peeled for vectorization to enhance alignment sinfo.F:96:0: note: loop vectorized sinfo.F:103:0: note: loop vectorized sinfo.F:110:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp0000.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp0001.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp0011.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp0101.F sp0101.F:257:0: note: loop vectorized sp0101.F:257:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp0111.F sp0111.F:416:0: note: loop vectorized sp0111.F:416:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec tabgen.f tabgen.f:64:0: note: loop vectorized make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ints_sp' Making all in deriv make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf1d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d.F hf2d.F:465:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfd2oi.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfderi.F hfderi.F:279:0: note: loop vectorized hfderi.F:279:0: note: loop peeled for vectorization to enhance alignment hfderi.F:286:0: note: loop vectorized hfderi.F:286:0: note: loop versioned for vectorization because of possible aliasing hfderi.F:286:0: note: loop peeled for vectorization to enhance alignment hfderi.F:337:0: note: loop vectorized hfderi.F:337:0: note: loop peeled for vectorization to enhance alignment hfderi.F:348:0: note: loop vectorized hfderi.F:348:0: note: loop peeled for vectorization to enhance alignment hfderi.F:359:0: note: loop vectorized hfderi.F:359:0: note: loop versioned for vectorization because of possible aliasing hfderi.F:359:0: note: loop peeled for vectorization to enhance alignment hfderi.F:192:0: note: loop vectorized hfderi.F:192:0: note: loop peeled for vectorization to enhance alignment hfderi.F:196:0: note: loop vectorized hfderi.F:196:0: note: loop peeled for vectorization to enhance alignment hfderi.F:207:0: note: loop vectorized hfderi.F:207:0: note: loop peeled for vectorization to enhance alignment hfderi.F:246:0: if( kl.gt.ij ) go to 480 ^ Warning: 'ij' may be used uninitialized in this function [-Wmaybe-uninitialized] hfderi.F:120:0: ij = (ma*(ma-1))/2 + mb ^ note: 'ij' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfdkei.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfdnai.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfefi.f hfefi.f:40:0: note: loop vectorized hfefi.f:40:0: note: loop versioned for vectorization because of possible aliasing hfefi.f:40:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d_2a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d_2b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d_2a2b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d_3a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d_3a2b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d_all.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf1PRtoAB.f hf1PRtoAB.f:40:0: note: loop vectorized hf1PRtoAB.f:40:0: note: loop peeled for vectorization to enhance alignment hf1PRtoAB.f:60:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf2PRtoAB.f hf2PRtoAB.f:42:0: note: loop vectorized hf2PRtoAB.f:42:0: note: loop peeled for vectorization to enhance alignment hf2PRtoAB.f:75:0: note: loop vectorized hf2PRtoAB.f:58:0: note: loop vectorized hf2PRtoAB.f:58:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf2QStoCD.f hf2QStoCD.f:41:0: note: loop vectorized hf2QStoCD.f:41:0: note: loop peeled for vectorization to enhance alignment hf2QStoCD.f:72:0: note: loop vectorized hf2QStoCD.f:57:0: note: loop vectorized hf2QStoCD.f:57:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfd3oi.F hfd3oi.F:412:0: note: loop vectorized hfd3oi.F:412:0: note: loop peeled for vectorization to enhance alignment hfd3oi.F:400:0: note: loop vectorized hfd3oi.F:400:0: note: loop peeled for vectorization to enhance alignment hfd3oi.F:383:0: note: loop vectorized hfd3oi.F:383:0: note: loop peeled for vectorization to enhance alignment hfd3oi.F:371:0: note: loop vectorized hfd3oi.F:371:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf1d_cosmo.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/deriv' Making all in texas make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS abcd.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS texas_face.F texas_face.F:1064:28: * dbl_mb(k_txs_tempr), 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(8) texas_face.F:1568:19: common /ganz/ ll9(9) ,na,nn4(4) 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (112 vs 672 bytes) texas_face.F:1161:19: common /ganz/ lcore,iov,last,nganz(67) 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (560 vs 672 bytes) texas_face.F:523:25: common /ctxs_index/ maxsh,ifp,inx(mxsh) 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (1520016 vs 24 bytes) texas_face.F:1773:25: common /ctxs_index/ maxsh,ifp,inx(1) 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1933:25: common /ctxs_index/ maxsh,ifp,inx(1) 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1241:0: note: loop vectorized texas_face.F:1241:0: note: loop peeled for vectorization to enhance alignment texas_face.F:1190:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS texas_hf.F texas_hf.F:936:18: call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:18: call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:18: call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:18: call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:11: * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:434:26: call txs_pnl(nquart,dbl_mb(ncshell), 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:468:11: * bl(ijblock),bl(klblock),bl(ijpres2),bl(klpres2), 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:484:50: * isize,jsize,ksize,lsize,bl(itxspnl), 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:33: call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:500:35: call supblks_split(bl,nquart,bl(mxsize),bl(mxpair), 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:509:40: call request_split(leri,inx, nbl2,bl(ijblock),bl(klblock), 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:26: call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:878:0: note: loop vectorized texas_hf.F:878:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1020:0: note: loop vectorized texas_hf.F:1020:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:878:0: note: loop vectorized texas_hf.F:878:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:878:0: note: loop vectorized texas_hf.F:878:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:878:0: note: loop vectorized texas_hf.F:878:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1353:0: note: loop vectorized texas_hf.F:1353:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1333:0: note: loop vectorized texas_hf.F:1333:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1313:0: note: loop vectorized texas_hf.F:1313:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1293:0: note: loop vectorized texas_hf.F:1293:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1378:0: note: loop vectorized texas_hf.F:1378:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS big_service.F big_service.F:353:0: note: loop vectorized big_service.F:353:0: note: loop versioned for vectorization because of possible aliasing big_service.F:353:0: note: loop peeled for vectorization to enhance alignment big_service.F:279:0: note: loop vectorized big_service.F:279:0: note: loop peeled for vectorization to enhance alignment big_service.F:168:0: note: loop vectorized big_service.F:37:0: note: loop vectorized big_service.F:37:0: note: loop peeled for vectorization to enhance alignment big_service.F:593:0: note: loop vectorized big_service.F:593:0: note: loop versioned for vectorization because of possible aliasing big_service.F:593:0: note: loop peeled for vectorization to enhance alignment big_service.F:565:0: note: loop vectorized big_service.F:565:0: note: loop versioned for vectorization because of possible aliasing big_service.F:565:0: note: loop peeled for vectorization to enhance alignment big_service.F:527:0: note: loop vectorized big_service.F:527:0: note: loop peeled for vectorization to enhance alignment big_service.F:490:0: note: loop vectorized big_service.F:490:0: note: loop versioned for vectorization because of possible aliasing big_service.F:490:0: note: loop peeled for vectorization to enhance alignment big_service.F:488:0: note: loop vectorized big_service.F:488:0: note: loop peeled for vectorization to enhance alignment big_service.F:467:0: note: loop vectorized big_service.F:460:0: note: loop vectorized big_service.F:460:0: note: loop peeled for vectorization to enhance alignment big_service.F:437:0: note: loop vectorized big_service.F:657:0: note: loop vectorized big_service.F:657:0: note: loop peeled for vectorization to enhance alignment big_service.F:717:0: note: loop vectorized big_service.F:717:0: note: loop peeled for vectorization to enhance alignment big_service.F:743:0: note: loop vectorized big_service.F:743:0: note: loop peeled for vectorization to enhance alignment big_service.F:995:0: note: loop vectorized big_service.F:983:0: note: loop vectorized big_service.F:958:0: note: loop vectorized big_service.F:1090:0: note: loop vectorized big_service.F:1085:0: note: loop vectorized big_service.F:1085:0: note: loop peeled for vectorization to enhance alignment big_service.F:1146:0: note: loop vectorized big_service.F:1141:0: note: loop vectorized big_service.F:1141:0: note: loop peeled for vectorization to enhance alignment big_service.F:1199:0: note: loop vectorized big_service.F:1194:0: note: loop vectorized big_service.F:1194:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS getmem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS amshift.F amshift.F:82:22: call make_indxx(bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:141:16: * bl(indxx),lni*lnj,lnk*lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:168:27: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:180:31: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:195:31: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:219:23: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:251:23: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:299:23: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:341:23: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:1671:0: note: loop vectorized amshift.F:1671:0: note: loop versioned for vectorization because of possible aliasing amshift.F:1671:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:2179:0: note: loop vectorized amshift.F:2179:0: note: loop versioned for vectorization because of possible aliasing amshift.F:2179:0: note: loop peeled for vectorization to enhance alignment amshift.F:2042:0: note: loop vectorized amshift.F:2042:0: note: loop versioned for vectorization because of possible aliasing amshift.F:2042:0: note: loop peeled for vectorization to enhance alignment amshift.F:2179:0: note: loop vectorized amshift.F:2179:0: note: loop versioned for vectorization because of possible aliasing amshift.F:2179:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec assemblx.f assemblx.f:55:34: * bl(ibuf2),bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:63:49: * bl(ibut2),bl(indx), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:68:49: * bl(ibut2),bl(indx), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:75:49: * bl(ibut2),bl(indx), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:80:49: * bl(ibut2),bl(indx), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:90:41: * bl(ibut2),bl(indx), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:95:41: * bl(ibut2),bl(indx), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:680:17: * bl(idx1),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:698:17: * bl(idx1),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:715:17: * bl(idx2),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:733:17: * bl(idx2),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:748:23: * bl(idx1),bl(indx),ij3b,kl3b) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:761:23: * bl(idx2),bl(indx), ij3b,kl3b) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:773:21: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:785:21: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:797:21: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:809:21: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:824:40: * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:835:40: * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:846:40: * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:857:40: * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:868:42: * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1438:24: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1456:24: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1473:24: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1491:24: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1506:24: * bl(indx),ij3b,kl3b) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1519:24: * bl(indx), ij3b,kl3b) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1531:23: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1543:23: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1555:23: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1567:23: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1582:32: * lck,lcij,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1593:32: * lcl,lcij,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1604:32: * lci,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1615:32: * lcj,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1626:33: * lcij,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:2150:0: note: loop vectorized assemblx.f:2150:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:2150:0: note: loop peeled for vectorization to enhance alignment assemblx.f:2143:0: note: loop vectorized assemblx.f:2143:0: note: loop peeled for vectorization to enhance alignment assemblx.f:2133:0: note: loop vectorized assemblx.f:2133:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:2133:0: note: loop peeled for vectorization to enhance alignment assemblx.f:2177:0: note: loop vectorized assemblx.f:2177:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:2177:0: note: loop peeled for vectorization to enhance alignment assemblx.f:2170:0: note: loop vectorized assemblx.f:2170:0: note: loop peeled for vectorization to enhance alignment assemblx.f:2160:0: note: loop vectorized assemblx.f:2160:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:2160:0: note: loop peeled for vectorization to enhance alignment assemblx.f:382:0: note: loop vectorized assemblx.f:382:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:382:0: note: loop peeled for vectorization to enhance alignment assemblx.f:375:0: note: loop vectorized assemblx.f:375:0: note: loop peeled for vectorization to enhance alignment assemblx.f:365:0: note: loop vectorized assemblx.f:365:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:365:0: note: loop peeled for vectorization to enhance alignment assemblx.f:409:0: note: loop vectorized assemblx.f:409:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:409:0: note: loop peeled for vectorization to enhance alignment assemblx.f:402:0: note: loop vectorized assemblx.f:402:0: note: loop peeled for vectorization to enhance alignment assemblx.f:392:0: note: loop vectorized assemblx.f:392:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:392:0: note: loop peeled for vectorization to enhance alignment assemblx.f:158:0: note: loop vectorized assemblx.f:158:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS spec_block.F spec_block.F:84:22: * bl(nblock1),nbl1,nbl2,nbl4) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:38: call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:31: call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:121:40: call blksizer(inx,ncs,nbl2,iroute,bl(nblock1),bl(npard), 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:30: call block_info(inx,bl(nblock1),bl(npard),nbl2) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1631:20: * bl(nqrtd),bl(nibld),bl(nkbld),bl(nijbd),bl(nijed), 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1788:0: note: basic block vectorized spec_block.F:1584:0: note: loop vectorized spec_block.F:1584:0: note: loop peeled for vectorization to enhance alignment spec_block.F:1569:0: note: loop vectorized spec_block.F:1569:0: note: loop peeled for vectorization to enhance alignment spec_block.F:1518:0: note: loop vectorized spec_block.F:1133:0: note: loop vectorized spec_block.F:1123:0: note: loop vectorized spec_block.F:2305:0: functf=dble(nfunct)/dble(nfijkl) ^ Warning: 'nfunct' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_block.F:2282:0: nfunct= limitfp(mmax) ^ note: 'nfunct' was declared here spec_block.F:2301:0: xqrt_limit=cachef*dble(nqrt_limit) ^ Warning: 'nqrt_limit' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_block.F:326:0: * itype1,jtype1,ktype1,ltype1, nqrt_limit) ^ note: 'nqrt_limit' was declared here spec_block.F:2059:0: note: loop vectorized spec_block.F:2059:0: note: loop peeled for vectorization to enhance alignment spec_block.F:2305:0: functf=dble(nfunct)/dble(nfijkl) ^ Warning: 'nfunct' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_block.F:2059:0: note: loop vectorized spec_block.F:2059:0: note: loop peeled for vectorization to enhance alignment spec_block.F:1788:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec cshneg.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS d_datlog.F d_datlog.F:149:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS spec_calcint.F spec_calcint.F:103:24: call doblock2(ibl,bl(ijblock),idoit) 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:107:26: call doblock2(kbl,bl(klblock),jdoit) 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:32: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:28: call dosupblk(isupb,bl(isblsize),bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:127:33: call get_nparts(isupb,bl(isbl_part),nparts) 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:40: call copy_block(isbl_size,bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:44: call check_in(isupb,isbl_size,bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:33: * nij_uniqe, bl(ij_uniqe_p), 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:40: * isbl_size,bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:380:30: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:387:38: call block1_pnl(isupb,isbl_size,bl(isblqrts),isbl_point,maxsize, 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:407:39: call doquarts(isupb,isbl_size,bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:38: call indexp_pnl(isupb,isbl_size,bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1238:30: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1242:44: call get_nbls_n0(isbl_size,isbl_point,bl(isblqrts), 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1794:32: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1816:30: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1820:44: call get_nbls_n0(isbl_size,isbl_point,bl(isblqrts), 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:894:30: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:898:44: call get_nbls_n0(isbl_size,isbl_point,bl(isblqrts), 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1405:32: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1456:30: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1460:44: call get_nbls_n0(isbl_size,isbl_point,bl(isblqrts), 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:252:40: call oneblock(isupb,ikbl,bl, bl(nibld),bl(nkbld), 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:179:32: call check_out(isupb,bl(isblsize),bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:39:34: call blockint(bl,nbl2,inx,bl(nblock1),bl(npard), 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS spec_destiny.F spec_destiny.F:1883:0: note: loop vectorized spec_destiny.F:1883:0: note: loop peeled for vectorization to enhance alignment spec_destiny.F:1980:0: note: basic block vectorized spec_destiny.F:1995:0: note: basic block vectorized spec_destiny.F:2010:0: note: basic block vectorized spec_destiny.F:2025:0: note: basic block vectorized spec_destiny.F:2040:0: note: basic block vectorized spec_destiny.F:2175:0: note: basic block vectorized spec_destiny.F:2175:0: note: basic block vectorized spec_destiny.F:2175:0: note: basic block vectorized spec_destiny.F:323:0: note: loop vectorized spec_destiny.F:323:0: note: loop peeled for vectorization to enhance alignment spec_destiny.F:344:0: lcfx(integ_n0)=iix(4) ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][3]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:343:0: kcfx(integ_n0)=iix(3) ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][2]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:342:0: jcfx(integ_n0)=iix(2) ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][1]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:341:0: icfx(integ_n0)=iix(1) ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][0]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:1118:0: lcfx(integ_n0)=iix(4) ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][3]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:1117:0: kcfx(integ_n0)=iix(3) ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][2]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:1116:0: jcfx(integ_n0)=iix(2) ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][1]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:1115:0: icfx(integ_n0)=iix(1) ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS memoha.F memoha.F:393:0: note: loop vectorized memoha.F:383:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS precalc2.F precalc2.F:34:34: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:42:34: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:75:34: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:83:34: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:314:30: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:319:35: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:338:34: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:343:38: * nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:353:31: * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:359:31: * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1357:31: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1381:34: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1401:31: * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:2302:0: note: loop vectorized precalc2.F:2280:0: note: loop vectorized precalc2.F:1753:0: note: loop vectorized precalc2.F:1699:0: note: loop vectorized precalc2.F:1699:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:1699:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1661:0: note: loop vectorized precalc2.F:1661:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:1661:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1661:0: note: loop vectorized precalc2.F:1661:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:1661:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1679:0: note: loop vectorized precalc2.F:1679:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:1679:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1679:0: note: loop vectorized precalc2.F:1679:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:1679:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1587:0: note: loop vectorized precalc2.F:1587:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1641:0: factab=factab*contrij ^ Warning: 'factab' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:1636:0: fctpp= abs( est_ip*est_jp ) ^ Warning: 'est_jp' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:1634:0: fctsp= abs( est_is*est_jp ) ^ Warning: 'est_is' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:1636:0: fctpp= abs( est_ip*est_jp ) ^ Warning: 'est_ip' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:2549:0: note: loop vectorized precalc2.F:2515:0: note: loop vectorized precalc2.F:734:0: note: loop vectorized precalc2.F:734:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:734:0: note: loop peeled for vectorization to enhance alignment precalc2.F:660:0: note: loop vectorized precalc2.F:660:0: note: loop peeled for vectorization to enhance alignment precalc2.F:655:0: note: loop vectorized precalc2.F:655:0: note: loop peeled for vectorization to enhance alignment precalc2.F:643:0: note: loop vectorized precalc2.F:643:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:643:0: note: loop peeled for vectorization to enhance alignment precalc2.F:588:0: factab=factab*contrij ^ Warning: 'factab' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:583:0: fctpp= abs( est_ip*est_jp ) ^ Warning: 'est_jp' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:583:0: Warning: 'est_ip' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:103:0: note: basic block vectorized precalc2.F:660:0: note: loop vectorized precalc2.F:660:0: note: loop peeled for vectorization to enhance alignment precalc2.F:655:0: note: loop vectorized precalc2.F:655:0: note: loop peeled for vectorization to enhance alignment precalc2.F:643:0: note: loop vectorized precalc2.F:643:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:643:0: note: loop peeled for vectorization to enhance alignment precalc2.F:588:0: factab=factab*contrij ^ Warning: 'factab' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:566:0: factab=abs( est_is*est_js ) ^ note: 'factab' was declared here precalc2.F:583:0: fctpp= abs( est_ip*est_jp ) ^ Warning: 'est_jp' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:521:0: est_jp=1.d0 ^ note: 'est_jp' was declared here precalc2.F:583:0: fctpp= abs( est_ip*est_jp ) ^ Warning: 'est_ip' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:492:0: est_ip=1.d0 ^ note: 'est_ip' was declared here precalc2.F:1083:0: note: loop vectorized precalc2.F:1083:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1149:0: note: loop vectorized precalc2.F:1149:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1753:0: note: loop vectorized precalc2.F:2079:0: note: loop vectorized precalc2.F:2079:0: note: loop peeled for vectorization to enhance alignment precalc2.F:2141:0: note: loop vectorized precalc2.F:2141:0: note: loop peeled for vectorization to enhance alignment precalc2.F:2137:0: note: loop vectorized precalc2.F:2137:0: note: loop peeled for vectorization to enhance alignment precalc2.F:2131:0: note: loop vectorized precalc2.F:2131:0: note: loop peeled for vectorization to enhance alignment precalc2.F:2125:0: note: loop vectorized precalc2.F:2125:0: note: loop peeled for vectorization to enhance alignment precalc2.F:2119:0: note: loop vectorized precalc2.F:2119:0: note: loop peeled for vectorization to enhance alignment precalc2.F:2704:0: note: loop vectorized precalc2.F:2704:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS prepint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS lab_reorder.F lab_reorder.F:25:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS rt123.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec shells.f shells.f:151:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec time.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec zeroint.f zeroint.f:41:29: call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) zeroint.f:45:41: call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:56:43: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:68:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:84:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:99:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:114:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:130:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:144:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:158:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:172:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:186:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:200:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:216:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:228:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:240:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:252:46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:267:43: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec missing.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS texas_stubs.F texas_stubs.F:7:0: #define USE_TEXAS ^ Warning: "USE_TEXAS" redefined <command-line>:18:0: note: this is the location of the previous definition ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS uniq_pairs.F uniq_pairs.F:73:47: call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:74:26: call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:40:29: * bl(ij_uniqe) , nij_uniqe ) 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:42:29: * bl(kl_uniqe) , nkl_uniqe ) 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS transfor.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec gencon.f gencon.f:354:25: * bl(indx),nbls1, ngcd,bl(igcoet) ) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:366:36: call coef_x_exp(nbls,nbls1,bl(indx),ngcd, 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:371:26: * bl(indx),nbls1, ngcd,bl(igcoet), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:65:0: note: loop vectorized gencon.f:65:0: note: loop peeled for vectorization to enhance alignment gencon.f:65:0: note: loop vectorized gencon.f:65:0: note: loop peeled for vectorization to enhance alignment gencon.f:98:0: note: loop vectorized gencon.f:98:0: note: loop peeled for vectorization to enhance alignment gencon.f:161:0: note: loop vectorized gencon.f:161:0: note: loop peeled for vectorization to enhance alignment gencon.f:173:0: note: loop vectorized gencon.f:173:0: note: loop peeled for vectorization to enhance alignment gencon.f:248:0: note: loop vectorized gencon.f:248:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec derivat.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec convert.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec test_calc2.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS screened_op.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS trobsa.F trobsa.F:292:39: call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:329:34: call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:346:35: call copy_unstable_2(nbls1, bl(iq_u),nbls1_u, mmax_1, 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:362:35: call copy_unstable_2(nbls1, bl(iq_u),nbls1_u, mmax_1, 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:371:37: call copy_unstable_3(nbls1, bl(iq_u),nbls1_u,mmax, 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:381:34: call copy_unstable_4(nbls1, bl(iq_u),nbls1_u,nqij,nqkl, 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:1333:0: note: loop vectorized trobsa.F:1333:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1339:0: note: loop vectorized trobsa.F:1339:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1352:0: note: loop vectorized trobsa.F:1352:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1357:0: note: loop vectorized trobsa.F:1357:0: note: loop peeled for vectorization to enhance alignment trobsa.F:712:0: note: loop vectorized trobsa.F:712:0: note: loop peeled for vectorization to enhance alignment trobsa.F:696:0: note: loop vectorized trobsa.F:696:0: note: loop peeled for vectorization to enhance alignment trobsa.F:696:0: note: loop vectorized trobsa.F:696:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1156:0: note: loop vectorized trobsa.F:1156:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1162:0: note: loop vectorized trobsa.F:1162:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1174:0: note: loop vectorized trobsa.F:1174:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1179:0: note: loop vectorized trobsa.F:1179:0: note: loop peeled for vectorization to enhance alignment trobsa.F:712:0: note: loop vectorized trobsa.F:712:0: note: loop peeled for vectorization to enhance alignment trobsa.F:696:0: note: loop vectorized trobsa.F:696:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1477:0: note: loop vectorized trobsa.F:1477:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1467:0: note: loop vectorized trobsa.F:1467:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1445:0: note: loop vectorized trobsa.F:1445:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1455:0: note: loop vectorized trobsa.F:1455:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1477:0: note: loop vectorized trobsa.F:1477:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1467:0: note: loop vectorized trobsa.F:1467:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1445:0: note: loop vectorized trobsa.F:1445:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1455:0: note: loop vectorized trobsa.F:1455:0: note: loop peeled for vectorization to enhance alignment trobsa.F:724:0: note: loop vectorized trobsa.F:724:0: note: loop peeled for vectorization to enhance alignment trobsa.F:696:0: note: loop vectorized trobsa.F:696:0: note: loop peeled for vectorization to enhance alignment trobsa.F:696:0: note: loop vectorized trobsa.F:696:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1264:0: note: loop vectorized trobsa.F:1264:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1241:0: note: loop vectorized trobsa.F:1241:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1251:0: note: loop vectorized trobsa.F:1251:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1264:0: note: loop vectorized trobsa.F:1264:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1241:0: note: loop vectorized trobsa.F:1241:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1251:0: note: loop vectorized trobsa.F:1251:0: note: loop peeled for vectorization to enhance alignment trobsa.F:724:0: note: loop vectorized trobsa.F:724:0: note: loop peeled for vectorization to enhance alignment trobsa.F:314:0: mmax_1=mmax-1 ^ Warning: 'mmax_1' may be used uninitialized in this function [-Wmaybe-uninitialized] make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/texas' Making all in ecp make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O ecp_sph_tens.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_ecp.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_3j_prod.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_angint.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_angrad.f ecp_angrad.f:32:0: note: loop vectorized ecp_angrad.f:32:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_bess_asy.F ecp_bess_asy.F:41:0: note: loop vectorized ecp_bess_asy.F:41:0: note: loop peeled for vectorization to enhance alignment ecp_bess_asy.F:30:0: note: loop vectorized ecp_bess_asy.F:30:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_bess_pow.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_bessel.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_c2slower.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_c2snorm.F ecp_c2snorm.F:43:0: note: loop vectorized ecp_c2snorm.F:43:0: note: loop versioned for vectorization because of possible aliasing ecp_c2snorm.F:43:0: note: loop peeled for vectorization to enhance alignment ecp_c2snorm.F:32:0: note: loop vectorized ecp_c2snorm.F:32:0: note: loop peeled for vectorization to enhance alignment ecp_c2snorm.F:42:0: wa = wa/sqrt(wb*wc) ^ Warning: 'wa' may be used uninitialized in this function [-Wmaybe-uninitialized] ecp_c2snorm.F:20:0: double precision wa,wb,wc,zero,half ^ note: 'wa' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_c2srecur.f ecp_c2srecur.f:65:0: note: loop vectorized ecp_c2srecur.f:65:0: note: loop versioned for vectorization because of possible aliasing ecp_c2srecur.f:65:0: note: loop peeled for vectorization to enhance alignment ecp_c2srecur.f:51:0: note: loop vectorized ecp_c2srecur.f:51:0: note: loop versioned for vectorization because of possible aliasing ecp_c2srecur.f:51:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_cart_xpd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_contract.f ecp_contract.f:32:0: note: loop vectorized ecp_contract.f:32:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_cstrans.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_down_m.f ecp_down_m.f:29:0: note: loop vectorized ecp_down_m.f:29:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_gaussq.f ecp_gaussq.f:461:0: note: basic block vectorized ecp_gaussq.f:228:0: note: loop vectorized ecp_gaussq.f:228:0: note: loop peeled for vectorization to enhance alignment ecp_gaussq.f:239:0: note: loop vectorized ecp_gaussq.f:239:0: note: loop peeled for vectorization to enhance alignment ecp_gaussq.f:141:0: note: loop vectorized ecp_gaussq.f:141:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_init_c2s.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_init_con.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_int0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_int1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_int2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_integral.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_matpi.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_matpr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_radint0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_radint1.F ecp_radint1.F:119:0: note: loop vectorized ecp_radint1.F:119:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_radint2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_s2ccoef.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_s2cnorm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_so_ang.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q0asy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q0int.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q0pow.F ecp_t1_Q0pow.F:38:0: note: loop vectorized ecp_t1_Q0pow.F:38:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q0pow.F:32:0: note: loop vectorized ecp_t1_Q0pow.F:32:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q1asy.F ecp_t1_Q1asy.F:36:0: note: loop vectorized ecp_t1_Q1asy.F:36:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q1asy.F:27:0: note: loop vectorized ecp_t1_Q1asy.F:27:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q1int.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q1pow.F ecp_t1_Q1pow.F:52:0: note: loop vectorized ecp_t1_Q1pow.F:52:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q1pow.F:44:0: note: loop vectorized ecp_t1_Q1pow.F:44:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q2int.F ecp_t1_Q2int.F:25:0: note: loop vectorized ecp_t1_Q2int.F:25:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t2_ghq.F ecp_t2_ghq.F:48:0: note: loop vectorized ecp_t2_ghq.F:48:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_t2_init0.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_t2_init1.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t2_init2.F ecp_t2_init2.F:50:0: note: loop vectorized ecp_t2_init2.F:50:0: note: loop peeled for vectorization to enhance alignment ecp_t2_init2.F:39:0: note: loop vectorized ecp_t2_init2.F:39:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t2_p0pow.F ecp_t2_p0pow.F:60:0: note: loop vectorized ecp_t2_p0pow.F:60:0: note: loop versioned for vectorization because of possible aliasing ecp_t2_p0pow.F:60:0: note: loop peeled for vectorization to enhance alignment ecp_t2_p0pow.F:60:0: note: loop vectorized ecp_t2_p0pow.F:60:0: note: loop versioned for vectorization because of possible aliasing ecp_t2_p0pow.F:60:0: note: loop peeled for vectorization to enhance alignment ecp_t2_p0pow.F:52:0: note: loop vectorized ecp_t2_p0pow.F:52:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t2_p1pow.F ecp_t2_p1pow.F:50:0: note: loop vectorized ecp_t2_p1pow.F:50:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_up_k.f ecp_up_k.f:46:0: note: loop vectorized ecp_up_k.f:46:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_local0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_local1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_local2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_locint1.F ecp_locint1.F:106:0: note: loop vectorized ecp_locint1.F:106:0: note: loop peeled for vectorization to enhance alignment ecp_locint1.F:56:0: & coeff_c(n_c),tol,wa,wb,wc,prefac ^ Warning: 'prefac' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_skipint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q3asy.F ecp_t1_Q3asy.F:37:0: note: loop vectorized ecp_t1_Q3asy.F:37:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q3asy.F:27:0: note: loop vectorized ecp_t1_Q3asy.F:27:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q3int.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q3pow.F ecp_t1_Q3pow.F:53:0: note: loop vectorized ecp_t1_Q3pow.F:53:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q3pow.F:42:0: note: loop vectorized ecp_t1_Q3pow.F:42:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q4int.F ecp_t1_Q4int.F:25:0: note: loop vectorized ecp_t1_Q4int.F:25:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_t2_init3.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_t2_init4.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t2_p3pow.F ecp_t2_p3pow.F:49:0: note: loop vectorized ecp_t2_p3pow.F:49:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t2_p4pow.F ecp_t2_p4pow.F:49:0: note: loop vectorized ecp_t2_p4pow.F:49:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_ind_var.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_gradient.F ecp_gradient.F:184:0: note: loop vectorized ecp_gradient.F:184:0: note: loop peeled for vectorization to enhance alignment ecp_gradient.F:177:0: note: loop vectorized ecp_gradient.F:177:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_grad_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_grad_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_hessian.F ecp_hessian.F:224:0: note: loop vectorized ecp_hessian.F:224:0: note: loop versioned for vectorization because of possible aliasing ecp_hessian.F:224:0: note: loop peeled for vectorization to enhance alignment ecp_hessian.F:215:0: note: loop vectorized ecp_hessian.F:215:0: note: loop versioned for vectorization because of possible aliasing ecp_hessian.F:215:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_int2_k.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_local2_k.F ecp_local2_k.F:22:0: note: loop vectorized ecp_local2_k.F:22:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/ecp' Making all in hondo make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_vstat.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_whermt.F hnd_whermt.F:52:0: note: loop vectorized hnd_whermt.F:52:0: note: loop versioned for vectorization because of possible aliasing hnd_whermt.F:52:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_rt123.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_root4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_root5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_droot.F hnd_droot.F:574:0: note: loop vectorized hnd_droot.F:574:0: note: loop peeled for vectorization to enhance alignment hnd_droot.F:637:0: note: loop vectorized hnd_droot.F:637:0: note: loop peeled for vectorization to enhance alignment hnd_droot.F:630:0: note: loop vectorized hnd_droot.F:630:0: note: loop peeled for vectorization to enhance alignment hnd_droot.F:384:0: note: loop vectorized hnd_droot.F:361:0: note: loop vectorized hnd_droot.F:215:0: note: loop vectorized hnd_droot.F:209:0: note: loop vectorized hnd_droot.F:207:0: note: loop vectorized hnd_droot.F:90:0: note: loop vectorized hnd_droot.F:66:0: note: loop vectorized hnd_droot.F:428:0: note: loop vectorized hnd_droot.F:411:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_1emem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_set_acc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_stvint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_sxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_txyz.F hnd_txyz.F:29:0: note: loop vectorized hnd_txyz.F:29:0: note: loop peeled for vectorization to enhance alignment hnd_txyz.F:20:0: note: loop vectorized hnd_txyz.F:20:0: note: loop peeled for vectorization to enhance alignment hnd_txyz.F:12:0: note: loop vectorized hnd_txyz.F:12:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_initd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_d1emem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_stvintd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_dderij.F hnd_dderij.F:138:0: note: loop vectorized hnd_dderij.F:138:0: note: loop peeled for vectorization to enhance alignment hnd_dderij.F:130:0: note: loop vectorized hnd_dderij.F:130:0: note: loop peeled for vectorization to enhance alignment hnd_dderij.F:55:0: note: loop vectorized hnd_dderij.F:55:0: note: loop peeled for vectorization to enhance alignment hnd_dderij.F:46:0: note: loop vectorized hnd_dderij.F:46:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_sd_ij.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_tvd_ij.F hnd_tvd_ij.F:504:0: note: loop vectorized hnd_tvd_ij.F:487:0: note: loop vectorized hnd_tvd_ij.F:592:0: note: loop vectorized hnd_tvd_ij.F:556:0: note: loop vectorized hnd_tvd_ij.F:523:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_ddtxyz.F hnd_ddtxyz.F:28:0: note: loop vectorized hnd_ddtxyz.F:28:0: note: loop peeled for vectorization to enhance alignment hnd_ddtxyz.F:19:0: note: loop vectorized hnd_ddtxyz.F:19:0: note: loop peeled for vectorization to enhance alignment hnd_ddtxyz.F:11:0: note: loop vectorized hnd_ddtxyz.F:11:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_hlf_ij.F hnd_hlf_ij.F:240:0: note: loop vectorized hnd_hlf_ij.F:261:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_dervxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_initdd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_dd1emem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_stvintdd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_hlfd_ij.F hnd_hlfd_ij.F:295:0: note: loop vectorized hnd_hlfd_ij.F:253:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_deriaj.F hnd_deriaj.F:51:0: note: loop vectorized hnd_deriaj.F:51:0: note: loop peeled for vectorization to enhance alignment hnd_deriaj.F:42:0: note: loop vectorized hnd_deriaj.F:42:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_terminate.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_denxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_elfder.F hnd_elfder.F:257:0: note: loop vectorized hnd_elfder.F:284:0: note: loop vectorized hnd_elfder.F:297:0: note: loop vectorized hnd_elfder.F:297:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaoh01.F hnd_giaoh01.F:172:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaoh11.F hnd_giaoh11.F:191:0: note: loop vectorized hnd_giaoh11.F:181:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaol10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaos10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaotv10.F hnd_giaotv10.F:257:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaobq10.F hnd_giaobq10.F:170:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giao_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giao_1emem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giao_2emem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giagnm.F hnd_giagnm.F:94:0: note: loop vectorized hnd_giagnm.F:94:0: note: loop versioned for vectorization because of possible aliasing hnd_giagnm.F:94:0: note: loop peeled for vectorization to enhance alignment hnd_giagnm.F:63:0: note: loop vectorized hnd_giagnm.F:63:0: note: loop versioned for vectorization because of possible aliasing hnd_giagnm.F:63:0: note: loop peeled for vectorization to enhance alignment hnd_giagnm.F:55:0: note: loop vectorized hnd_giagnm.F:55:0: note: loop versioned for vectorization because of possible aliasing hnd_giagnm.F:55:0: note: loop peeled for vectorization to enhance alignment hnd_giagnm.F:16:0: note: loop vectorized hnd_giagnm.F:16:0: note: loop versioned for vectorization because of possible aliasing hnd_giagnm.F:16:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaspd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_jkbcdf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_oechrg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_xyzgia.F hnd_xyzgia.F:28:0: note: loop vectorized hnd_xyzgia.F:28:0: note: loop versioned for vectorization because of possible aliasing hnd_xyzgia.F:28:0: note: loop peeled for vectorization to enhance alignment hnd_xyzgia.F:12:0: note: loop vectorized hnd_xyzgia.F:12:0: note: loop versioned for vectorization because of possible aliasing hnd_xyzgia.F:12:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giahnd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaxyz.F hnd_giaxyz.F:71:0: note: loop vectorized hnd_giaxyz.F:71:0: note: loop versioned for vectorization because of possible aliasing hnd_giaxyz.F:71:0: note: loop peeled for vectorization to enhance alignment hnd_giaxyz.F:90:0: note: loop vectorized hnd_giaxyz.F:90:0: note: loop versioned for vectorization because of possible aliasing hnd_giaxyz.F:90:0: note: loop peeled for vectorization to enhance alignment hnd_giaxyz.F:28:0: note: loop vectorized hnd_giaxyz.F:28:0: note: loop versioned for vectorization because of possible aliasing hnd_giaxyz.F:28:0: note: loop peeled for vectorization to enhance alignment hnd_giaxyz.F:48:0: note: loop vectorized hnd_giaxyz.F:48:0: note: loop versioned for vectorization because of possible aliasing hnd_giaxyz.F:48:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_jkwrys.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_spdgia.F hnd_spdgia.F:63:0: note: loop vectorized hnd_spdgia.F:63:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_pso.F hnd_pso.F:184:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_dso.F hnd_dso.F:191:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_wleg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_herxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_init_1eelec.F hnd_init_1eelec.F:47:0: note: loop vectorized hnd_init_1eelec.F:44:0: note: loop vectorized hnd_init_1eelec.F:44:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_init_dso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_init_1emtpl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_init_pso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_veloc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_angmom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_dipxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_init_dip.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaos100.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/hondo' Making all in rel make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_rel_init.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_onel.F rel_onel.F:9:19: c:tex- \nonumber \\ ^ Warning: backslash and newline separated by space rel_onel.F:14:19: c:tex- \nonumber \\ ^ Warning: backslash and newline separated by space rel_onel.F:338:0: note: loop vectorized rel_onel.F:338:0: note: loop peeled for vectorization to enhance alignment rel_onel.F:331:0: note: loop vectorized rel_onel.F:331:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_mpole.F rel_mpole.F:165:0: note: loop vectorized rel_mpole.F:165:0: note: loop peeled for vectorization to enhance alignment rel_mpole.F:161:0: note: loop vectorized rel_mpole.F:161:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_pvp.F rel_pvp.F:205:0: note: loop vectorized rel_pvp.F:205:0: note: loop peeled for vectorization to enhance alignment rel_pvp.F:198:0: note: loop vectorized rel_pvp.F:198:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_pot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_pot2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_2e4c_sf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_LLSS.F rel_LLSS.F:210:0: note: loop vectorized rel_LLSS.F:210:0: note: loop peeled for vectorization to enhance alignment rel_LLSS.F:203:0: note: loop vectorized rel_LLSS.F:203:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_SSLL.F rel_SSLL.F:209:0: note: loop vectorized rel_SSLL.F:209:0: note: loop peeled for vectorization to enhance alignment rel_SSLL.F:202:0: note: loop vectorized rel_SSLL.F:202:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_SSSS.F rel_SSSS.F:217:0: note: loop vectorized rel_SSSS.F:217:0: note: loop peeled for vectorization to enhance alignment rel_SSSS.F:210:0: note: loop vectorized rel_SSSS.F:210:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_init_con.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dmd_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_oneld.F rel_oneld.F:9:19: c:tex- \nonumber \\ ^ Warning: backslash and newline separated by space rel_oneld.F:14:19: c:tex- \nonumber \\ ^ Warning: backslash and newline separated by space rel_oneld.F:399:0: note: loop vectorized rel_oneld.F:399:0: note: loop peeled for vectorization to enhance alignment rel_oneld.F:392:0: note: loop vectorized rel_oneld.F:392:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_oneld_cosmo.F rel_oneld_cosmo.F:9:19: c:tex- \nonumber \\ ^ Warning: backslash and newline separated by space rel_oneld_cosmo.F:14:19: c:tex- \nonumber \\ ^ Warning: backslash and newline separated by space rel_oneld_cosmo.F:399:0: note: loop vectorized rel_oneld_cosmo.F:399:0: note: loop peeled for vectorization to enhance alignment rel_oneld_cosmo.F:392:0: note: loop vectorized rel_oneld_cosmo.F:392:0: note: loop peeled for vectorization to enhance alignment rel_oneld_cosmo.F:113:0: logical doV ! compute potential (True/False) ^ Warning: 'dov' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_2e4cd_sf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_LLSSd.F rel_LLSSd.F:204:0: note: loop vectorized rel_LLSSd.F:204:0: note: loop peeled for vectorization to enhance alignment rel_LLSSd.F:197:0: note: loop vectorized rel_LLSSd.F:197:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_SSLLd.F rel_SSLLd.F:203:0: note: loop vectorized rel_SSLLd.F:203:0: note: loop peeled for vectorization to enhance alignment rel_SSLLd.F:196:0: note: loop vectorized rel_SSLLd.F:196:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_SSSSd.F rel_SSSSd.F:204:0: note: loop vectorized rel_SSSSd.F:204:0: note: loop peeled for vectorization to enhance alignment rel_SSSSd.F:197:0: note: loop vectorized rel_SSSSd.F:197:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a int_rel_init.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/rel' Making all in dk make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_1edk_ga.F int_1edk_ga.F:1608:0: note: loop vectorized int_1edk_ga.F:1608:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1608:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1534:0: note: loop vectorized int_1edk_ga.F:1534:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1534:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1492:0: note: loop vectorized int_1edk_ga.F:1492:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1492:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1485:0: note: loop vectorized int_1edk_ga.F:1485:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1485:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1454:0: note: loop vectorized int_1edk_ga.F:1454:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1454:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1447:0: note: loop vectorized int_1edk_ga.F:1447:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1447:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1426:0: note: loop vectorized int_1edk_ga.F:1426:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1426:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1400:0: note: loop vectorized int_1edk_ga.F:1400:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1400:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1386:0: note: loop vectorized int_1edk_ga.F:1386:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1386:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1360:0: note: loop vectorized int_1edk_ga.F:1360:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1360:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1315:0: note: loop vectorized int_1edk_ga.F:1315:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1315:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1241:0: note: loop vectorized int_1edk_ga.F:1241:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1241:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1171:0: note: loop vectorized int_1edk_ga.F:1171:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1171:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1129:0: note: loop vectorized int_1edk_ga.F:1129:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1129:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1076:0: note: loop vectorized int_1edk_ga.F:1076:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1076:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1049:0: note: loop vectorized int_1edk_ga.F:1049:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1049:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1022:0: note: loop vectorized int_1edk_ga.F:1022:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1022:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:934:0: note: loop vectorized int_1edk_ga.F:934:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:934:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:914:0: note: loop vectorized int_1edk_ga.F:914:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:914:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:881:0: note: loop vectorized int_1edk_ga.F:881:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:881:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:840:0: note: loop vectorized int_1edk_ga.F:840:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:840:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:820:0: note: loop vectorized int_1edk_ga.F:820:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:820:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:787:0: note: loop vectorized int_1edk_ga.F:787:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:787:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:747:0: note: loop vectorized int_1edk_ga.F:747:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:747:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:709:0: note: loop vectorized int_1edk_ga.F:709:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:709:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:644:0: note: loop vectorized int_1edk_ga.F:644:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:644:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:626:0: note: loop vectorized int_1edk_ga.F:626:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:626:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:597:0: note: loop vectorized int_1edk_ga.F:597:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:597:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:566:0: note: loop vectorized int_1edk_ga.F:566:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:566:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:548:0: note: loop vectorized int_1edk_ga.F:548:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:548:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:519:0: note: loop vectorized int_1edk_ga.F:519:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:519:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:488:0: note: loop vectorized int_1edk_ga.F:488:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:488:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:470:0: note: loop vectorized int_1edk_ga.F:470:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:470:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:441:0: note: loop vectorized int_1edk_ga.F:441:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:441:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:372:0: note: loop vectorized int_1edk_ga.F:372:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:372:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:326:0: note: loop vectorized int_1edk_ga.F:326:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:326:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:322:0: note: loop vectorized int_1edk_ga.F:322:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:322:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:260:0: note: loop vectorized int_1edk_ga.F:260:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:260:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:237:0: note: loop vectorized int_1edk_ga.F:237:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:237:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:243:0: note: loop vectorized int_1edk_ga.F:243:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:243:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:223:0: note: loop vectorized int_1edk_ga.F:223:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:223:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dk_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dkdiv_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_pxvp_ga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_1edkso_ga.F int_1edkso_ga.F:375:0: note: loop vectorized int_1edkso_ga.F:375:0: note: loop versioned for vectorization because of possible aliasing int_1edkso_ga.F:375:0: note: loop peeled for vectorization to enhance alignment int_1edkso_ga.F:225:0: note: loop vectorized int_1edkso_ga.F:225:0: note: loop versioned for vectorization because of possible aliasing int_1edkso_ga.F:225:0: note: loop peeled for vectorization to enhance alignment int_1edkso_ga.F:212:0: note: loop vectorized int_1edkso_ga.F:212:0: note: loop versioned for vectorization because of possible aliasing int_1edkso_ga.F:212:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_create_uncont.F bas_create_uncont.F:202:0: note: loop vectorized bas_create_uncont.F:202:0: note: loop versioned for vectorization because of possible aliasing bas_create_uncont.F:202:0: note: loop peeled for vectorization to enhance alignment bas_create_uncont.F:150:0: note: loop vectorized bas_create_uncont.F:150:0: note: loop versioned for vectorization because of possible aliasing bas_create_uncont.F:150:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o rel_input.o int_1edkso_ga.o bas_create_uncont.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints/dk' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a intgrl_input.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwints.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/NWints' Making libraries in atomscf make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orderd.F orderd.F:56:0: note: loop vectorized orderd.F:56:0: note: loop versioned for vectorization because of possible aliasing orderd.F:56:0: note: loop peeled for vectorization to enhance alignment orderd.F:24:0: note: loop vectorized orderd.F:24:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG atcond.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG denat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hamild.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG outpud.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG teigd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG atomd.F atomd.F:194:0: note: loop vectorized atomd.F:194:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG denmad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG jacod.F jacod.F:178:0: note: loop vectorized jacod.F:178:0: note: loop versioned for vectorization because of possible aliasing jacod.F:178:0: note: loop peeled for vectorization to enhance alignment jacod.F:141:0: f(iebr) = tt*sx - f(iebr)*cx ^ Warning: 'tt' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pdfded.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tracd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cmergd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG densid.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG densid_z.F densid_z.F:46:0: note: loop vectorized densid_z.F:46:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG oeigd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shalfd.F shalfd.F:50:0: note: loop vectorized shalfd.F:50:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG trafsd.F trafsd.F:39:0: note: loop vectorized trafsd.F:39:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG creded.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG square.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tramad.F tramad.F:35:0: note: loop vectorized tramad.F:35:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG datoms.F datoms.F:370:0: note: loop vectorized datoms.F:370:0: note: loop vectorized datoms.F:370:0: note: loop vectorized datoms.F:370:0: note: loop vectorized datoms.F:370:0: note: loop vectorized datoms.F:198:0: note: loop vectorized datoms.F:188:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG guess_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG starcd.F starcd.F:109:0: note: loop vectorized starcd.F:109:0: note: loop peeled for vectorization to enhance alignment starcd.F:105:0: note: loop vectorized starcd.F:86:0: note: loop vectorized starcd.F:86:0: note: loop versioned for vectorization because of possible aliasing starcd.F:86:0: note: loop peeled for vectorization to enhance alignment starcd.F:78:0: note: loop vectorized starcd.F:40:0: note: loop vectorized starcd.F:40:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG writel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG printbasis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG atscf_ecp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG atscf_atscf.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libguess.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libguess.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libguess.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libguess.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/atomscf' Making libraries in ddscf make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG comp4_bins.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rhf_dens_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG comp4_insert.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_sym_adap.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rhf_fock_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_lindep.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_atom_blk.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG schwarz_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vectors_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_1e_ga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG schwarz_pr.F ftn -c -m64 -ffast-math -Warray-bounds 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-DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_hessv2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG print_integ_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG print_1eints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG riscf_square.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG riscf_io.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG movecs_pr_anal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_lagr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_diis.F rohf_diis.F:173:34: call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rhf_fock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG multipole.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_mat_to_vec.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG movecs_frag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG localize.F localize.F:123:39: $ nloc, iloc, nbf, nmo, g_movecs, g_sc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:133:36: $ nloc, iloc, nbf, nmo, g_movecs, g_sc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:142:36: $ nloc, iloc, nbf, nmo, g_movecs, g_sc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:192:39: $ nloc, iloc, nbf, nmo, g_movecs, g_uc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:202:36: $ nloc, iloc, nbf, nmo, g_movecs, g_uc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:211:36: $ nloc, iloc, nbf, nmo, g_movecs, g_uc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_dip_ga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_xc.F fock_xc.F:193:28: = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:204:44: int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_j_fit.F fock_j_fit.F:17:45: call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_jkfac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_jkfac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_hessv3.F rohf_hessv3.F:69:17: $ pflg, g_movecs, oskel, noskew, 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_cam.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_get2eri.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_frozemb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG print_integrals.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_hessv2_ext.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_hessv3_ext.F rohf_hessv3_ext.F:87:11: & g_movecs, 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) rohf_hessv3_ext.F:427:11: & g_movecs, ! in : MO coefficients 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_hessv2_ext.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_precond_ext.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_task.F fock_2e_task.F:547:0: note: loop vectorized fock_2e_task.F:554:0: note: loop vectorized fock_2e_task.F:554:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_slab.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_lab.F fock_2e_lab.F:1609:46: call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:50: call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:64:0: note: loop vectorized fock_2e_lab.F:83:0: note: loop vectorized fock_2e_lab.F:281:0: note: loop vectorized fock_2e_lab.F:281:0: note: loop peeled for vectorization to enhance alignment fock_2e_lab.F:1207:0: note: loop vectorized fock_2e_lab.F:1207:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_labscal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_c.F fock_2e_c.F:62:0: note: loop vectorized fock_2e_c.F:62:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_scale.F fock_scale.F:39:0: note: loop vectorized fock_scale.F:39:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_densc.F fock_densc.F:88:0: note: loop vectorized fock_densc.F:78:0: note: loop vectorized fock_densc.F:68:0: note: loop vectorized fock_densc.F:58:0: note: loop vectorized fock_densc.F:48:0: note: loop vectorized fock_densc.F:39:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG schwarz_atom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG comp4_ext.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG schwarz_sh.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int2e_file.F int2e_file.F:410:0: note: basic block vectorized int2e_file.F:478:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ao_replicated.F ao_replicated.F:1204:0: note: loop vectorized ao_replicated.F:1210:0: note: loop vectorized ao_replicated.F:1216:0: note: loop vectorized ao_replicated.F:407:0: note: loop vectorized ao_replicated.F:407:0: note: loop peeled for vectorization to enhance alignment make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' Making all in fast make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 xlm_poles.F xlm_poles.F:195:0: note: loop vectorized xlm_poles.F:195:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:195:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2225:0: note: loop vectorized xlm_poles.F:2220:0: note: loop vectorized xlm_poles.F:2220:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2207:0: note: loop vectorized xlm_poles.F:2204:0: note: loop vectorized xlm_poles.F:2204:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2181:0: note: loop vectorized xlm_poles.F:2181:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:2176:0: note: loop vectorized xlm_poles.F:2176:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2163:0: note: loop vectorized xlm_poles.F:2163:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:2160:0: note: loop vectorized xlm_poles.F:2160:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2318:0: note: loop vectorized xlm_poles.F:2318:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2297:0: note: loop vectorized xlm_poles.F:2297:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2272:0: note: loop vectorized xlm_poles.F:2272:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2251:0: note: loop vectorized xlm_poles.F:2251:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2164:0: note: basic block vectorized xlm_poles.F:2184:0: note: basic block vectorized xlm_poles.F:195:0: note: loop vectorized xlm_poles.F:195:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:195:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:736:0: note: loop vectorized xlm_poles.F:736:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:730:0: note: loop vectorized xlm_poles.F:730:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:722:0: note: loop vectorized xlm_poles.F:722:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:716:0: note: loop vectorized xlm_poles.F:716:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:692:0: note: loop vectorized xlm_poles.F:692:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:692:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:41:0: note: loop vectorized xlm_poles.F:41:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:73:0: note: loop vectorized xlm_poles.F:73:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:343:0: note: loop vectorized xlm_poles.F:343:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:625:0: note: loop vectorized xlm_poles.F:625:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:195:0: note: loop vectorized xlm_poles.F:195:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:195:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:596:0: note: loop vectorized xlm_poles.F:585:0: note: loop vectorized xlm_poles.F:585:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:576:0: note: loop vectorized xlm_poles.F:576:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:567:0: note: loop vectorized xlm_poles.F:567:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:552:0: note: loop vectorized xlm_poles.F:552:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:524:0: note: loop vectorized xlm_poles.F:521:0: note: loop vectorized xlm_poles.F:1157:0: note: loop vectorized xlm_poles.F:1157:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1202:0: note: loop vectorized xlm_poles.F:1202:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1239:0: note: loop vectorized xlm_poles.F:1239:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1268:0: note: loop vectorized xlm_poles.F:1268:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1326:0: note: loop vectorized xlm_poles.F:1326:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1461:0: note: loop vectorized xlm_poles.F:1461:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:1447:0: note: loop vectorized xlm_poles.F:1447:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1439:0: note: loop vectorized xlm_poles.F:1439:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1385:0: note: loop vectorized xlm_poles.F:1548:0: note: loop vectorized xlm_poles.F:1548:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1703:0: note: loop vectorized xlm_poles.F:1703:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:1687:0: note: loop vectorized xlm_poles.F:1687:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1679:0: note: loop vectorized xlm_poles.F:1679:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1669:0: note: loop vectorized xlm_poles.F:1669:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1622:0: note: loop vectorized xlm_poles.F:2000:0: note: loop vectorized xlm_poles.F:2000:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:2000:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2012:0: note: loop vectorized xlm_poles.F:2012:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:2012:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2225:0: note: loop vectorized xlm_poles.F:2220:0: note: loop vectorized xlm_poles.F:2220:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2207:0: note: loop vectorized xlm_poles.F:2204:0: note: loop vectorized xlm_poles.F:2204:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2181:0: note: loop vectorized xlm_poles.F:2181:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:2176:0: note: loop vectorized xlm_poles.F:2176:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2163:0: note: loop vectorized xlm_poles.F:2163:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:2160:0: note: loop vectorized xlm_poles.F:2160:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2318:0: note: loop vectorized xlm_poles.F:2318:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2297:0: note: loop vectorized xlm_poles.F:2297:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2272:0: note: loop vectorized xlm_poles.F:2272:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2251:0: note: loop vectorized xlm_poles.F:2251:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1953:0: note: loop vectorized xlm_poles.F:1953:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1930:0: note: loop vectorized xlm_poles.F:1930:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1936:0: note: loop vectorized xlm_poles.F:1936:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1919:0: note: loop vectorized xlm_poles.F:1919:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1882:0: note: loop vectorized xlm_poles.F:1882:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1858:0: note: loop vectorized xlm_poles.F:1858:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1871:0: note: loop vectorized xlm_poles.F:1871:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1836:0: note: loop vectorized xlm_poles.F:1836:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1810:0: note: loop vectorized xlm_poles.F:1810:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:1810:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1820:0: note: loop vectorized xlm_poles.F:1820:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:1820:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2164:0: note: basic block vectorized xlm_poles.F:2184:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 cheby.F cheby.F:77:0: note: loop vectorized cheby.F:36:0: note: loop vectorized cheby.F:26:0: note: loop vectorized cheby.F:26:0: note: loop peeled for vectorization to enhance alignment cheby.F:229:0: note: loop vectorized cheby.F:211:0: note: loop vectorized cheby.F:339:0: note: loop vectorized cheby.F:328:0: note: loop vectorized cheby.F:305:0: note: loop vectorized cheby.F:501:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 fastj.F fastj.F:1639:0: dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid ^ Warning: 'potgrid' may be used uninitialized in this function [-Wmaybe-uninitialized] fastj.F:1073:0: note: loop vectorized fastj.F:1073:0: note: loop peeled for vectorization to enhance alignment fastj.F:1038:0: note: loop vectorized fastj.F:1038:0: note: loop versioned for vectorization because of possible aliasing fastj.F:1038:0: note: loop peeled for vectorization to enhance alignment fastj.F:1033:0: note: loop vectorized fastj.F:1033:0: note: loop versioned for vectorization because of possible aliasing fastj.F:1033:0: note: loop peeled for vectorization to enhance alignment fastj.F:1027:0: note: loop vectorized fastj.F:1027:0: note: loop versioned for vectorization because of possible aliasing fastj.F:1027:0: note: loop peeled for vectorization to enhance alignment fastj.F:1055:0: note: loop vectorized fastj.F:1055:0: note: loop peeled for vectorization to enhance alignment fastj.F:1950:0: note: loop vectorized fastj.F:1950:0: note: loop peeled for vectorization to enhance alignment fastj.F:1941:0: note: loop vectorized fastj.F:1941:0: note: loop peeled for vectorization to enhance alignment fastj.F:1911:0: note: loop vectorized fastj.F:1911:0: note: loop peeled for vectorization to enhance alignment fastj.F:895:0: note: loop vectorized fastj.F:895:0: note: loop versioned for vectorization because of possible aliasing fastj.F:895:0: note: loop peeled for vectorization to enhance alignment fastj.F:619:0: note: loop vectorized fastj.F:626:0: note: loop vectorized fastj.F:736:0: $ x-a, y-b, z-c, q, lmax) ^ Warning: 'z' may be used uninitialized in this function [-Wmaybe-uninitialized] fastj.F:736:0: Warning: 'y' may be used uninitialized in this function [-Wmaybe-uninitialized] fastj.F:736:0: Warning: 'x' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 anlfit.F anlfit.F:371:12: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: Loop variable at (1) must be integer anlfit.F:371:15: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: Start expression in DO loop at (1) must be integer anlfit.F:371:22: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer anlfit.F:371:31: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: Step expression in DO loop at (1) must be integer anlfit.F:31:0: note: loop vectorized anlfit.F:615:0: D(1)=PTWO ^ Warning: 'ptwo' may be used uninitialized in this function [-Wmaybe-uninitialized] anlfit.F:615:0: Warning: 'ptwo' may be used uninitialized in this function [-Wmaybe-uninitialized] anlfit.F:598:0: DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) ^ note: 'ptwo' was declared here anlfit.F:31:0: note: loop vectorized anlfit.F:31:0: note: loop vectorized anlfit.F:31:0: note: loop vectorized anlfit.F:31:0: note: loop vectorized anlfit.F:288:0: note: loop vectorized anlfit.F:288:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 cart_trans.F cart_trans.F:362:0: note: loop vectorized cart_trans.F:362:0: note: loop peeled for vectorization to enhance alignment cart_trans.F:300:0: note: loop vectorized cart_trans.F:300:0: note: loop peeled for vectorization to enhance alignment cart_trans.F:250:0: note: loop vectorized cart_trans.F:250:0: note: loop peeled for vectorization to enhance alignment cart_trans.F:227:0: note: loop vectorized cart_trans.F:227:0: note: loop peeled for vectorization to enhance alignment cart_trans.F:203:0: note: loop vectorized cart_trans.F:203:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec gauleg.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 solver.F solver.F:903:0: note: loop vectorized solver.F:903:0: note: loop peeled for vectorization to enhance alignment solver.F:1059:0: note: loop vectorized solver.F:1054:0: note: loop vectorized solver.F:581:0: note: loop vectorized solver.F:581:0: note: loop peeled for vectorization to enhance alignment solver.F:547:0: note: loop vectorized solver.F:547:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:526:0: note: loop vectorized solver.F:526:0: note: loop peeled for vectorization to enhance alignment solver.F:492:0: note: loop vectorized solver.F:492:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:471:0: note: loop vectorized solver.F:471:0: note: loop peeled for vectorization to enhance alignment solver.F:437:0: note: loop vectorized solver.F:437:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:416:0: note: loop vectorized solver.F:416:0: note: loop peeled for vectorization to enhance alignment solver.F:382:0: note: loop vectorized solver.F:382:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:361:0: note: loop vectorized solver.F:361:0: note: loop peeled for vectorization to enhance alignment solver.F:327:0: note: loop vectorized solver.F:327:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:306:0: note: loop vectorized solver.F:306:0: note: loop peeled for vectorization to enhance alignment solver.F:272:0: note: loop vectorized solver.F:272:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:99:0: $ write(6,15) etime(tt) - start ^ Warning: 'start' may be used uninitialized in this function [-Wmaybe-uninitialized] solver.F:34:0: real*4 etime, tt(2), start ^ note: 'start' was declared here solver.F:1145:0: note: loop vectorized solver.F:1145:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec vsint.f vsint.f:583:0: note: loop vectorized vsint.f:583:0: note: loop versioned for vectorization because of possible aliasing vsint.f:583:0: note: loop peeled for vectorization to enhance alignment vsint.f:567:0: note: loop vectorized vsint.f:567:0: note: loop versioned for vectorization because of possible aliasing vsint.f:567:0: note: loop peeled for vectorization to enhance alignment vsint.f:553:0: note: loop vectorized vsint.f:553:0: note: loop versioned for vectorization because of possible aliasing vsint.f:553:0: note: loop peeled for vectorization to enhance alignment vsint.f:527:0: note: loop vectorized vsint.f:527:0: note: loop peeled for vectorization to enhance alignment vsint.f:518:0: note: loop vectorized vsint.f:518:0: note: loop versioned for vectorization because of possible aliasing vsint.f:518:0: note: loop peeled for vectorization to enhance alignment vsint.f:503:0: note: loop vectorized vsint.f:503:0: note: loop versioned for vectorization because of possible aliasing vsint.f:503:0: note: loop peeled for vectorization to enhance alignment vsint.f:488:0: note: loop vectorized vsint.f:488:0: note: loop versioned for vectorization because of possible aliasing vsint.f:488:0: note: loop peeled for vectorization to enhance alignment vsint.f:470:0: note: loop vectorized vsint.f:470:0: note: loop versioned for vectorization because of possible aliasing vsint.f:470:0: note: loop peeled for vectorization to enhance alignment vsint.f:456:0: note: loop vectorized vsint.f:456:0: note: loop versioned for vectorization because of possible aliasing vsint.f:456:0: note: loop peeled for vectorization to enhance alignment vsint.f:442:0: note: loop vectorized vsint.f:442:0: note: loop versioned for vectorization because of possible aliasing vsint.f:442:0: note: loop peeled for vectorization to enhance alignment vsint.f:425:0: note: loop vectorized vsint.f:425:0: note: loop versioned for vectorization because of possible aliasing vsint.f:425:0: note: loop peeled for vectorization to enhance alignment vsint.f:332:0: note: loop vectorized vsint.f:332:0: note: loop versioned for vectorization because of possible aliasing vsint.f:332:0: note: loop peeled for vectorization to enhance alignment vsint.f:218:0: note: loop vectorized vsint.f:218:0: note: loop versioned for vectorization because of possible aliasing vsint.f:218:0: note: loop peeled for vectorization to enhance alignment vsint.f:200:0: note: loop vectorized vsint.f:200:0: note: loop versioned for vectorization because of possible aliasing vsint.f:200:0: note: loop peeled for vectorization to enhance alignment vsint.f:188:0: note: loop vectorized vsint.f:188:0: note: loop versioned for vectorization because of possible aliasing vsint.f:188:0: note: loop peeled for vectorization to enhance alignment vsint.f:178:0: note: loop vectorized vsint.f:178:0: note: loop versioned for vectorization because of possible aliasing vsint.f:178:0: note: loop peeled for vectorization to enhance alignment vsint.f:306:0: note: loop vectorized vsint.f:306:0: note: loop versioned for vectorization because of possible aliasing vsint.f:306:0: note: loop peeled for vectorization to enhance alignment vsint.f:263:0: note: loop vectorized vsint.f:263:0: note: loop versioned for vectorization because of possible aliasing vsint.f:263:0: note: loop peeled for vectorization to enhance alignment vsint.f:807:0: note: loop vectorized vsint.f:807:0: note: loop peeled for vectorization to enhance alignment vsint.f:802:0: note: loop vectorized vsint.f:802:0: note: loop peeled for vectorization to enhance alignment vsint.f:583:0: note: loop vectorized vsint.f:583:0: note: loop versioned for vectorization because of possible aliasing vsint.f:583:0: note: loop peeled for vectorization to enhance alignment vsint.f:567:0: note: loop vectorized vsint.f:567:0: note: loop versioned for vectorization because of possible aliasing vsint.f:567:0: note: loop peeled for vectorization to enhance alignment vsint.f:553:0: note: loop vectorized vsint.f:553:0: note: loop versioned for vectorization because of possible aliasing vsint.f:553:0: note: loop peeled for vectorization to enhance alignment vsint.f:527:0: note: loop vectorized vsint.f:527:0: note: loop peeled for vectorization to enhance alignment vsint.f:518:0: note: loop vectorized vsint.f:518:0: note: loop versioned for vectorization because of possible aliasing vsint.f:518:0: note: loop peeled for vectorization to enhance alignment vsint.f:503:0: note: loop vectorized vsint.f:503:0: note: loop versioned for vectorization because of possible aliasing vsint.f:503:0: note: loop peeled for vectorization to enhance alignment vsint.f:488:0: note: loop vectorized vsint.f:488:0: note: loop versioned for vectorization because of possible aliasing vsint.f:488:0: note: loop peeled for vectorization to enhance alignment vsint.f:470:0: note: loop vectorized vsint.f:470:0: note: loop versioned for vectorization because of possible aliasing vsint.f:470:0: note: loop peeled for vectorization to enhance alignment vsint.f:456:0: note: loop vectorized vsint.f:456:0: note: loop versioned for vectorization because of possible aliasing vsint.f:456:0: note: loop peeled for vectorization to enhance alignment vsint.f:442:0: note: loop vectorized vsint.f:442:0: note: loop versioned for vectorization because of possible aliasing vsint.f:442:0: note: loop peeled for vectorization to enhance alignment vsint.f:425:0: note: loop vectorized vsint.f:425:0: note: loop versioned for vectorization because of possible aliasing vsint.f:425:0: note: loop peeled for vectorization to enhance alignment vsint.f:146:0: note: loop vectorized vsint.f:146:0: note: loop peeled for vectorization to enhance alignment vsint.f:137:0: note: loop vectorized vsint.f:137:0: note: loop peeled for vectorization to enhance alignment vsint.f:132:0: note: loop vectorized vsint.f:132:0: note: loop versioned for vectorization because of possible aliasing vsint.f:132:0: note: loop peeled for vectorization to enhance alignment vsint.f:129:0: note: loop vectorized vsint.f:129:0: note: loop peeled for vectorization to enhance alignment vsint.f:125:0: note: loop vectorized vsint.f:125:0: note: loop peeled for vectorization to enhance alignment vsint.f:113:0: note: loop vectorized vsint.f:113:0: note: loop peeled for vectorization to enhance alignment vsint.f:105:0: note: loop vectorized vsint.f:105:0: note: loop versioned for vectorization because of possible aliasing vsint.f:105:0: note: loop peeled for vectorization to enhance alignment vsint.f:86:0: note: loop vectorized vsint.f:86:0: note: loop versioned for vectorization because of possible aliasing vsint.f:86:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 pot_shell.F pot_shell.F:805:0: note: loop vectorized pot_shell.F:805:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:812:0: note: loop vectorized pot_shell.F:812:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:819:0: note: loop vectorized pot_shell.F:819:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:788:0: note: loop vectorized pot_shell.F:788:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:779:0: note: loop vectorized pot_shell.F:779:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:723:0: note: loop vectorized pot_shell.F:723:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:706:0: note: loop vectorized pot_shell.F:706:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:703:0: note: loop vectorized pot_shell.F:703:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:678:0: note: loop vectorized pot_shell.F:678:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:576:0: note: loop vectorized pot_shell.F:576:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:562:0: note: loop vectorized pot_shell.F:562:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:503:0: note: loop vectorized pot_shell.F:503:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:347:0: note: loop vectorized pot_shell.F:347:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:230:0: note: loop vectorized pot_shell.F:230:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:195:0: note: loop vectorized pot_shell.F:195:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:88:0: double precision qm2, qm1, q0, qp1, qp2, start ^ Warning: 'start' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 fastj_direct.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec fastj_range.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 newfmm.F newfmm.F:1297:0: note: loop vectorized newfmm.F:1297:0: note: loop peeled for vectorization to enhance alignment newfmm.F:95:0: note: loop vectorized newfmm.F:175:0: note: loop vectorized newfmm.F:175:0: note: loop peeled for vectorization to enhance alignment newfmm.F:382:0: note: loop vectorized newfmm.F:382:0: note: loop peeled for vectorization to enhance alignment newfmm.F:625:0: note: loop vectorized newfmm.F:598:0: note: loop vectorized newfmm.F:582:0: note: loop vectorized newfmm.F:582:0: note: loop peeled for vectorization to enhance alignment newfmm.F:580:0: call xlm(lmax, x-xo, y-yo, z-zo, w, lq) ^ Warning: 'zo' may be used uninitialized in this function [-Wmaybe-uninitialized] newfmm.F:580:0: Warning: 'yo' may be used uninitialized in this function [-Wmaybe-uninitialized] newfmm.F:580:0: Warning: 'xo' may be used uninitialized in this function [-Wmaybe-uninitialized] newfmm.F:730:0: note: loop vectorized newfmm.F:701:0: note: loop vectorized newfmm.F:701:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 potential.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec sint.f sint.f:25:49: CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) sint.f:140:31: CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) sint.f:743:0: note: loop vectorized sint.f:743:0: note: loop peeled for vectorization to enhance alignment sint.f:736:0: note: loop vectorized sint.f:736:0: note: loop versioned for vectorization because of possible aliasing sint.f:736:0: note: loop peeled for vectorization to enhance alignment sint.f:723:0: note: loop vectorized sint.f:723:0: note: loop versioned for vectorization because of possible aliasing sint.f:723:0: note: loop peeled for vectorization to enhance alignment sint.f:116:0: note: loop vectorized sint.f:116:0: note: loop peeled for vectorization to enhance alignment sint.f:99:0: note: loop vectorized sint.f:99:0: note: loop versioned for vectorization because of possible aliasing sint.f:99:0: note: loop peeled for vectorization to enhance alignment sint.f:85:0: note: loop vectorized sint.f:85:0: note: loop peeled for vectorization to enhance alignment sint.f:116:0: note: loop vectorized sint.f:116:0: note: loop peeled for vectorization to enhance alignment sint.f:99:0: note: loop vectorized sint.f:99:0: note: loop versioned for vectorization because of possible aliasing sint.f:99:0: note: loop peeled for vectorization to enhance alignment sint.f:85:0: note: loop vectorized sint.f:85:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libddscf.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libddscf.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libddscf.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libddscf.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf/fast' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libddscf.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libddscf.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libddscf.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ddscf' Making libraries in gradients make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG gradients.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad_force.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_reorder.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad2.F grad2.F:733:0: note: loop vectorized grad2.F:733:0: note: loop peeled for vectorization to enhance alignment grad2.F:601:0: note: loop vectorized grad2.F:601:0: note: loop peeled for vectorization to enhance alignment grad2.F:627:0: note: loop vectorized grad2.F:627:0: note: loop peeled for vectorization to enhance alignment grad2.F:681:0: note: loop vectorized grad2.F:681:0: note: loop peeled for vectorization to enhance alignment grad2.F:703:0: note: loop vectorized grad2.F:703:0: note: loop peeled for vectorization to enhance alignment grad2.F:717:0: note: loop vectorized grad2.F:717:0: note: loop peeled for vectorization to enhance alignment grad2.F:535:0: note: loop vectorized grad2.F:535:0: note: loop peeled for vectorization to enhance alignment grad2.F:497:0: note: loop vectorized grad2.F:497:0: note: loop peeled for vectorization to enhance alignment grad2.F:453:0: note: loop vectorized grad2.F:453:0: note: loop peeled for vectorization to enhance alignment grad2.F:409:0: note: loop vectorized grad2.F:409:0: note: loop peeled for vectorization to enhance alignment grad2.F:733:0: note: loop vectorized grad2.F:733:0: note: loop peeled for vectorization to enhance alignment grad2.F:601:0: note: loop vectorized grad2.F:601:0: note: loop peeled for vectorization to enhance alignment grad2.F:627:0: note: loop vectorized grad2.F:627:0: note: loop peeled for vectorization to enhance alignment grad2.F:681:0: note: loop vectorized grad2.F:681:0: note: loop peeled for vectorization to enhance alignment grad2.F:703:0: note: loop vectorized grad2.F:703:0: note: loop peeled for vectorization to enhance alignment grad2.F:717:0: note: loop vectorized grad2.F:717:0: note: loop peeled for vectorization to enhance alignment grad2.F:409:0: note: loop vectorized grad2.F:409:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad_getdens.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libgradients.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libgradients.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libgradients.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libgradients.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/gradients' Making libraries in moints make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT atwtest.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT direct_mp2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mointdriver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_1e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_dbg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_gsh1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_mp2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_stats.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_full.F moints_full.F:352:44: $ int_mb(k_irs), int_mb(k_map), dbl_mb(k_work), 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT sifs0.F sifs0.F:1471:72: Warning: Deleted feature: ASSIGN statement at (1) sifs0.F:1473:72: Warning: Deleted feature: ASSIGN statement at (1) sifs0.F:1483:21: write(nlist,ifmtv) values(i), (labels(j,i), j=1,nipv) 1 Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT sifs1.F sifs1.F:107:72: Warning: Deleted feature: ASSIGN statement at (1) sifs1.F:109:72: Warning: Deleted feature: ASSIGN statement at (1) sifs1.F:111:72: Warning: Deleted feature: ASSIGN statement at (1) sifs1.F:119:21: write(nlist,ifmtv) values(i), (labels(j,i), j=1,nipv) 1 Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1) make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT -O3 -funroll-loops -ffast-math -O1 -o moints_cutil.o moints_cutil.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_aodisk.F moints_aodisk.F:1617:48: call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1281:46: $ nnz, int_mb(k_irv), iorec(dp), 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:992:54: $ sprstol, labint, iorec(irp), nir1, 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(8) moints_aodisk.F:1723:34: $ itmp(2*klen+1)))) then 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:1664:31: $ itmp, n, r))) then 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:1506:0: note: loop vectorized moints_aodisk.F:1506:0: note: loop peeled for vectorization to enhance alignment moints_aodisk.F:1506:0: note: loop vectorized moints_aodisk.F:1506:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_2x.F moints_2x.F:938:0: note: loop vectorized moints_2x.F:938:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:919:0: note: loop vectorized moints_2x.F:919:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:846:0: note: loop vectorized moints_2x.F:846:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:821:0: note: loop vectorized moints_2x.F:821:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:140:0: note: loop vectorized moints_2x.F:140:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:589:0: note: loop vectorized moints_2x.F:589:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:570:0: note: loop vectorized moints_2x.F:570:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:674:0: note: loop vectorized moints_2x.F:674:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:657:0: note: loop vectorized moints_2x.F:657:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_6x.F moints_6x.F:1388:0: note: loop vectorized moints_6x.F:1388:0: note: loop peeled for vectorization to enhance alignment moints_6x.F:140:0: note: loop vectorized moints_6x.F:140:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_semi.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_aux2.F moints_aux2.F:844:0: note: loop vectorized moints_aux2.F:844:0: note: loop peeled for vectorization to enhance alignment moints_aux2.F:679:0: note: loop vectorized moints_aux2.F:679:0: note: loop peeled for vectorization to enhance alignment moints_aux2.F:666:0: note: loop vectorized moints_aux2.F:666:0: note: loop peeled for vectorization to enhance alignment make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmoints.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmoints.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmoints.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmoints.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/moints' Making libraries in nwdft make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I./include -I./grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwdft.F Making all in include make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/include' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/include' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/include' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/include' Making all in input_dft make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/input_dft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_inpana.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_rdinput.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tol_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG conv_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cdft_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG occup_input.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/input_dft' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/input_dft' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/input_dft' Making all in scf_dft make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_swapab.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_main0d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_scf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR print_irrep_occp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_fockbld.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_scfutil.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_symbr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_pstat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR fukui.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_canorg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_diagn.F dft_diagn.F:264:2: #warning YVRVRVR ^ Warning: #warning YVRVRVR [-Wcpp] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_dump_info.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_fant.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_printinfo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_frac_mo.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_dencvg.F dft_dencvg.F:45:0: note: loop vectorized dft_dencvg.F:45:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_densm.F dft_densm.F:208:0: note: loop vectorized dft_densm.F:208:0: note: loop peeled for vectorization to enhance alignment dft_densm.F:250:0: noc(1)=nocsave(1) ^ Warning: 'nocsave[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] dft_densm.F:49:0: integer nocsave(2) ^ note: 'nocsave[0]' was declared here dft_densm.F:251:0: noc(2)=nocsave(2) ^ Warning: 'nocsave[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] dft_densm.F:49:0: integer nocsave(2) ^ note: 'nocsave[1]' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_invdiag.F dft_invdiag.F:62:0: note: loop vectorized dft_invdiag.F:62:0: note: loop versioned for vectorization because of possible aliasing dft_invdiag.F:62:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_mxovl.F dft_mxovl.F:113:0: note: loop vectorized dft_mxovl.F:113:0: note: loop peeled for vectorization to enhance alignment dft_mxovl.F:110:0: note: loop vectorized dft_mxovl.F:110:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_mxspin_ovlp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_s2_value.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_scfcvg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR diis_bld12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR diis_bsolve.F diis_bsolve.F:105:0: note: loop vectorized diis_bsolve.F:105:0: note: loop versioned for vectorization because of possible aliasing diis_bsolve.F:105:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR diis_core.F diis_core.F:97:0: note: loop vectorized diis_core.F:97:0: note: loop versioned for vectorization because of possible aliasing diis_core.F:97:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR diis_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR diis_hamwgt.F diis_hamwgt.F:61:0: note: loop vectorized diis_hamwgt.F:61:0: note: loop peeled for vectorization to enhance alignment diis_hamwgt.F:42:0: note: loop vectorized diis_hamwgt.F:42:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_fdist_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR cdft_util.F cdft_util.F:638:0: note: loop vectorized cdft_util.F:638:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:522:0: note: loop vectorized cdft_util.F:522:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:515:0: note: loop vectorized cdft_util.F:515:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:638:0: note: loop vectorized cdft_util.F:638:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:832:0: note: loop vectorized cdft_util.F:832:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:879:0: note: loop vectorized cdft_util.F:879:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:874:0: note: loop vectorized cdft_util.F:874:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:870:0: note: loop vectorized cdft_util.F:870:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:854:0: note: loop vectorized cdft_util.F:854:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:819:0: note: loop vectorized cdft_util.F:819:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_frac_mo.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft' Making all in scf_dft_cg make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft_cg' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_cscf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_cg_answer.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_cg_info.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_cg_guess.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_cg_solve.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_get_conv_info.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_fock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_hessv_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_hessv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_hessv_xx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_nr_solve.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_search_precond.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_step_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_uks_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_uks_hessv_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_uks_hessv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_uks_nr_solve.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_uks_search_precond.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_uks_step_energy.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft_cg' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft_cg' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/scf_dft_cg' Making all in so_dft make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/so_dft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD dft_scf_so.F dft_scf_so.F:23:0: #include "zora.fh" ! zora contribution ^ Warning: extra tokens at end of #include directive dft_scf_so.F:24:0: #include "case.fh" ! coulomb attenuation ^ Warning: extra tokens at end of #include directive ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD dft_densmso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD dft_mxovlso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD grad_force_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD dft_gradients_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD vectors_so.F vectors_so.F:250:29: $ dbl_mb(k_fulleval), g_tmp) ) call errquit( 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (rank-1 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD grad_dens_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD grad1_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD diis_driver_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD diis_bsolve_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD diis_bld12_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD diis_core_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD diis_hamwgt_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD diis_refvec_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD movecs_anal_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD getv_coul.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD getv_exch0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD getv_exchX.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD getv_exchY.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD getv_exchZ.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD getv_dftxc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD sym_mo_adapt_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD sym_char_tab_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD scf_sym_adap_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD sym_mo_ap_op_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD sym_op_clsfy_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD ga_orth_mos_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD ga_orthog_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD sym_op_cname_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD grad_dens_so2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD dft_scf_utils_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD dft_frac_mo_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD xc_exso.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/so_dft' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/so_dft' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/so_dft' Making all in coulomb make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_3cincor.F dft_3cincor.F:131:0: note: loop vectorized dft_3cincor.F:131:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_mem3c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_fitcd.F dft_fitcd.F:227:0: note: loop vectorized dft_fitcd.F:227:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_fitvc.F dft_fitvc.F:97:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_genspm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_get2eri.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_getspm.F dft_getspm.F:196:0: note: loop vectorized dft_getspm.F:196:0: note: loop peeled for vectorization to enhance alignment dft_getspm.F:169:0: note: loop vectorized dft_getspm.F:169:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_getvc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_n3c.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/coulomb' Making all in xc make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_getv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_exact_pot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_sicutil.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chk_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_util.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_chkdispauto.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vdw_init.F cc -c -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o 2ndDerivB97.o 2ndDerivB97.c make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_eval_basis.F xc_eval_basis.F:243:56: & dbl_mb(id3ang), qxyz, ccoord(1,ictr), nq, dbl_mb(il2k), 1 Warning: Type mismatch in argument 'l2k' at (1); passed REAL(8) to INTEGER(8) xc_eval_basis.F:1389:0: note: loop vectorized xc_eval_basis.F:1389:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1389:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1755:0: note: loop vectorized xc_eval_basis.F:1755:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1755:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1232:0: note: loop vectorized xc_eval_basis.F:1232:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1232:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1083:0: note: loop vectorized xc_eval_basis.F:1083:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1087:0: note: loop vectorized xc_eval_basis.F:1087:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1087:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1138:0: note: loop vectorized xc_eval_basis.F:1138:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1138:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:459:0: note: loop vectorized xc_eval_basis.F:435:0: note: loop vectorized xc_eval_basis.F:443:0: note: loop vectorized xc_eval_basis.F:410:0: note: loop vectorized xc_eval_basis.F:410:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:2523:0: note: loop vectorized xc_eval_basis.F:2523:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1232:0: note: loop vectorized xc_eval_basis.F:1232:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1232:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1083:0: note: loop vectorized xc_eval_basis.F:1083:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1087:0: note: loop vectorized xc_eval_basis.F:1087:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1087:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1138:0: note: loop vectorized xc_eval_basis.F:1138:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1138:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG a_dist.F a_dist.F:32:0: note: loop vectorized a_dist.F:32:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG eumac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qdist.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scat_mat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG setACmat.F setACmat.F:266:0: note: loop vectorized setACmat.F:266:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:266:0: note: loop peeled for vectorization to enhance alignment setACmat.F:177:0: note: loop vectorized setACmat.F:177:0: note: loop peeled for vectorization to enhance alignment setACmat.F:144:0: note: loop vectorized setACmat.F:144:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:144:0: note: loop peeled for vectorization to enhance alignment setACmat.F:153:0: note: loop vectorized setACmat.F:153:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:153:0: note: loop peeled for vectorization to enhance alignment setACmat.F:159:0: note: loop vectorized setACmat.F:159:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:159:0: note: loop peeled for vectorization to enhance alignment setACmat.F:170:0: note: loop vectorized setACmat.F:170:0: note: loop peeled for vectorization to enhance alignment setACmat.F:213:0: note: loop vectorized setACmat.F:213:0: note: loop peeled for vectorization to enhance alignment setACmat.F:206:0: note: loop vectorized setACmat.F:206:0: note: loop peeled for vectorization to enhance alignment setACmat.F:200:0: note: loop vectorized setACmat.F:200:0: note: loop peeled for vectorization to enhance alignment setACmat.F:177:0: note: loop vectorized setACmat.F:177:0: note: loop peeled for vectorization to enhance alignment setACmat.F:144:0: note: loop vectorized setACmat.F:144:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:144:0: note: loop peeled for vectorization to enhance alignment setACmat.F:153:0: note: loop vectorized setACmat.F:153:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:153:0: note: loop peeled for vectorization to enhance alignment setACmat.F:159:0: note: loop vectorized setACmat.F:159:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:159:0: note: loop peeled for vectorization to enhance alignment setACmat.F:170:0: note: loop vectorized setACmat.F:170:0: note: loop peeled for vectorization to enhance alignment setACmat.F:238:0: note: loop vectorized setACmat.F:238:0: note: loop peeled for vectorization to enhance alignment setACmat.F:232:0: note: loop vectorized setACmat.F:232:0: note: loop peeled for vectorization to enhance alignment setACmat.F:213:0: note: loop vectorized setACmat.F:213:0: note: loop peeled for vectorization to enhance alignment setACmat.F:206:0: note: loop vectorized setACmat.F:206:0: note: loop peeled for vectorization to enhance alignment setACmat.F:200:0: note: loop vectorized setACmat.F:200:0: note: loop peeled for vectorization to enhance alignment setACmat.F:177:0: note: loop vectorized setACmat.F:177:0: note: loop peeled for vectorization to enhance alignment setACmat.F:144:0: note: loop vectorized setACmat.F:144:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:144:0: note: loop peeled for vectorization to enhance alignment setACmat.F:153:0: note: loop vectorized setACmat.F:153:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:153:0: note: loop peeled for vectorization to enhance alignment setACmat.F:159:0: note: loop vectorized setACmat.F:159:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:159:0: note: loop peeled for vectorization to enhance alignment setACmat.F:170:0: note: loop vectorized setACmat.F:170:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_becke88.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_dirac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_bnl.F xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:360:0: HqBNLTwoPrime = 4.0d0-8.0d0*q2 ^ Warning: 'q2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:357:0: double precision q,OneOverQ,q2 ^ note: 'q2' was declared here xc_bnl.F:360:0: HqBNLTwoPrime = 4.0d0-8.0d0*q2 ^ Warning: 'q2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:268:0: Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:360:0: HqBNLTwoPrime = 4.0d0-8.0d0*q2 ^ Warning: 'q2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:357:0: double precision q,OneOverQ,q2 ^ note: 'q2' was declared here xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:360:0: HqBNLTwoPrime = 4.0d0-8.0d0*q2 ^ Warning: 'q2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:357:0: double precision q,OneOverQ,q2 ^ note: 'q2' was declared here xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:360:0: HqBNLTwoPrime = 4.0d0-8.0d0*q2 ^ Warning: 'q2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:357:0: double precision q,OneOverQ,q2 ^ note: 'q2' was declared here xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:360:0: HqBNLTwoPrime = 4.0d0-8.0d0*q2 ^ Warning: 'q2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:357:0: double precision q,OneOverQ,q2 ^ note: 'q2' was declared here xc_bnl.F:268:0: HqBNLPrime = -4.0d0/3.0d0*(dsqrt(Pi)+2.0d0*q3-3.0d0*q) ^ Warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:265:0: double precision q,OneOverQ,q2,q3,DERF ^ note: 'q3' was declared here xc_bnl.F:360:0: HqBNLTwoPrime = 4.0d0-8.0d0*q2 ^ Warning: 'q2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:357:0: double precision q,OneOverQ,q2 ^ note: 'q2' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_dirac_screened.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_fitv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_hfexch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_lebedev.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_lyp88.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_perdew86.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_perdew91.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_pw91lda.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_pw91ldag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_rhogen.F xc_rhogen.F:632:0: note: loop vectorized xc_rhogen.F:632:0: note: loop versioned for vectorization because of possible aliasing xc_rhogen.F:632:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:610:0: note: loop vectorized xc_rhogen.F:610:0: note: loop versioned for vectorization because of possible aliasing xc_rhogen.F:610:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:353:0: note: loop vectorized xc_rhogen.F:353:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:342:0: note: loop vectorized xc_rhogen.F:342:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:328:0: note: loop vectorized xc_rhogen.F:328:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:1118:0: note: loop vectorized xc_rhogen.F:1118:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:1107:0: note: loop vectorized xc_rhogen.F:1107:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:1093:0: note: loop vectorized xc_rhogen.F:1093:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:1207:0: if(ipol.eq.2) g_dens(2)=g_keepd(2) ^ Warning: 'g_keepd[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_rhogen.F:1206:0: g_dens(1)=g_keepd(1) ^ Warning: 'g_keepd[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_tabcd.F xc_tabcd.F:402:0: note: loop vectorized xc_tabcd.F:402:0: note: loop versioned for vectorization because of possible aliasing xc_tabcd.F:402:0: note: loop peeled for vectorization to enhance alignment xc_tabcd.F:393:0: note: loop vectorized xc_tabcd.F:393:0: note: loop peeled for vectorization to enhance alignment xc_tabcd.F:389:0: note: loop vectorized xc_tabcd.F:389:0: note: loop peeled for vectorization to enhance alignment xc_tabcd.F:315:0: note: loop vectorized xc_tabcd.F:315:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vwn_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vwn_1_rpa.F ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vwn_2.F ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vwn_3.F ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vwn_4.F ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vwn_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_eval_fnl.F xc_eval_fnl.F:1564:0: note: loop vectorized xc_eval_fnl.F:1564:0: note: loop peeled for vectorization to enhance alignment xc_eval_fnl.F:1570:0: note: loop vectorized xc_eval_fnl.F:1570:0: note: loop versioned for vectorization because of possible aliasing xc_eval_fnl.F:1570:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_fd.F xc_fd.F:64:55: call xc_pert_rho(tol_rho, rho, delrho, nq, ipol, GC, 1 Warning: Type mismatch in argument 'npert' at (1); passed LOGICAL(8) to INTEGER(8) xc_fd.F:297:0: note: loop vectorized xc_fd.F:297:0: note: loop versioned for vectorization because of possible aliasing xc_fd.F:297:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_pbe96.F xc_pbe96.F:1417:0: if (nlfac) then ^ Warning: 'nlfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:28:0: logical lfac, nlfac, lfacl, nlfacl ^ note: 'nlfac' was declared here xc_pbe96.F:1421:0: if (lfac) then ^ Warning: 'lfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:28:0: logical lfac, nlfac, lfacl, nlfacl ^ note: 'lfac' was declared here xc_pbe96.F:1056:0: if (id_cpbe.eq.1.or.id_cpbe.eq.3) then ^ Warning: 'id_cpbe' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:24:0: integer ipol, nq, id_cpbe ^ note: 'id_cpbe' was declared here xc_pbe96.F:30:0: double precision fac, facl ^ Warning: 'fac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1446:0: if (nlfac)then ^ Warning: 'nlfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1421:0: if (lfac) then ^ Warning: 'lfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1056:0: if (id_cpbe.eq.1.or.id_cpbe.eq.3) then ^ Warning: 'id_cpbe' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1591:0: & + (dH0dg + d2H0dnbdg*rhoval)*fac ^ Warning: 'fac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1079:0: fAtden3 = fAtden2*fAtden ^ Warning: 'fatden2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1149:0: 8 (fAtden4) ^ Warning: 'dfatnumdt' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1175:0: B (fAtden4) ^ Warning: 'dfatnumda' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1175:0: Warning: 'd2fatnumdtda' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1149:0: 8 (fAtden4) ^ Warning: 'd2fatnumdt2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1446:0: if (nlfac)then ^ Warning: 'nlfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1421:0: if (lfac) then ^ Warning: 'lfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1056:0: if (id_cpbe.eq.1.or.id_cpbe.eq.3) then ^ Warning: 'id_cpbe' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1894:0: 1 + (d3H0dg3*rhoval)*fac ^ Warning: 'fac' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_hcth.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xpbe96.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xpw91.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_tarad.F xc_tarad.F:124:0: note: loop vectorized xc_tarad.F:124:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_murakn.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_signf.F xc_signf.F:90:0: note: loop vectorized xc_signf.F:90:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_gill96.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xmpw91.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xpkzb99.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cpkzb99.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cMpbe96.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xtpss03.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_ctpss03.F xc_ctpss03.F:448:0: en = pbe*(1.d0 + ccc*xx2) ^ Warning: 'ccc' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_oep.F xc_oep.F:19:0: note: loop vectorized xc_oep.F:19:0: note: loop versioned for vectorization because of possible aliasing xc_oep.F:19:0: note: loop peeled for vectorization to enhance alignment xc_oep.F:76:0: note: loop vectorized xc_oep.F:76:0: note: loop versioned for vectorization because of possible aliasing xc_oep.F:76:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_sic_pert.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_sic.F xc_sic.F:205:0: note: loop vectorized xc_sic.F:205:0: note: loop versioned for vectorization because of possible aliasing xc_sic.F:205:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG localize_sic.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_optx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_optc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_atomblock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_replicated.F xc_replicated.F:173:0: note: loop vectorized xc_replicated.F:173:0: note: loop versioned for vectorization because of possible aliasing xc_replicated.F:173:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_ft97.F xc_ft97.F:77:0: Amat(n,2) = Amat(n,2)+dfdrbx*xfac+dfdrbc*cfac ^ Warning: 'dfdrbx' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_ft97.F:38:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx ^ note: 'dfdrbx' was declared here xc_ft97.F:79:0: dfdzb=dfdgbbx*xfac+dfdgbbc*cfac ^ Warning: 'dfdgbbx' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_ft97.F:38:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx ^ note: 'dfdgbbx' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_lb94.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cs00.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_op.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_kop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_bc95.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xm05.F xc_xm05.F:341:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) ^ Warning: 'at9' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ note: 'at9' was declared here xc_xm05.F:341:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) ^ Warning: 'at8' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ note: 'at8' was declared here xc_xm05.F:341:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) ^ Warning: 'at7' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ note: 'at7' was declared here xc_xm05.F:341:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) ^ Warning: 'at6' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ note: 'at6' was declared here xc_xm05.F:341:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) ^ Warning: 'at5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ note: 'at5' was declared here xc_xm05.F:341:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) ^ Warning: 'at4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ note: 'at4' was declared here xc_xm05.F:341:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) ^ Warning: 'at3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ note: 'at3' was declared here xc_xm05.F:341:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) ^ Warning: 'at2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ note: 'at2' was declared here xc_xm05.F:341:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) ^ Warning: 'at11' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:54:0: double precision at, at10, at11, C1, C2, fL, fNL ^ note: 'at11' was declared here xc_xm05.F:341:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) ^ Warning: 'at10' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:54:0: double precision at, at10, at11, C1, C2, fL, fNL ^ note: 'at10' was declared here xc_xm05.F:368:0: & + F10*at10*W9 + F11*at11*W10) ^ Warning: 'at1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ note: 'at1' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cm05.F xc_cm05.F:339:0: W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) ^ Warning: 'sss4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:339:0: Warning: 'sss3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:339:0: Warning: 'sss2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:350:0: dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) ^ Warning: 'sss1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:229:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) ^ Warning: 'sopp4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:82:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ note: 'sopp4' was declared here xc_cm05.F:220:0: W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) ^ Warning: 'sopp3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:82:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ note: 'sopp3' was declared here xc_cm05.F:220:0: W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) ^ Warning: 'sopp2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:82:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ note: 'sopp2' was declared here xc_cm05.F:229:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) ^ Warning: 'sopp1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:82:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ note: 'sopp1' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xpw6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xvs98.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cvs98.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xm06.F xc_xm06.F:56:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ Warning: 'at9' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: Warning: 'at8' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: Warning: 'at7' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: Warning: 'at6' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: Warning: 'at5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: Warning: 'at4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: Warning: 'at3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: Warning: 'at2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:57:0: double precision at, at10, at11, at0, C1, C2, fL, fNL ^ Warning: 'at11' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:57:0: Warning: 'at10' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ Warning: 'at1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:57:0: double precision at, at10, at11, at0, C1, C2, fL, fNL ^ Warning: 'at0' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cm06.F xc_cm06.F:394:0: W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) ^ Warning: 'sss4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:394:0: Warning: 'sss3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:394:0: Warning: 'sss2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:405:0: dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) ^ Warning: 'sss1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:394:0: W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) ^ Warning: 'sss0' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:270:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) ^ Warning: 'sopp4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:87:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ note: 'sopp4' was declared here xc_cm06.F:261:0: W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) ^ Warning: 'sopp3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:87:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ note: 'sopp3' was declared here xc_cm06.F:261:0: W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) ^ Warning: 'sopp2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:87:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ note: 'sopp2' was declared here xc_cm06.F:270:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) ^ Warning: 'sopp1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:87:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ note: 'sopp1' was declared here xc_cm06.F:261:0: W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) ^ Warning: 'sopp0' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:87:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ note: 'sopp0' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_spbe96.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_kt1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_ssbD_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_s12x.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cams12x.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_camb88.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_att_xc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_camxpbe96.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_camxlsd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xwpbe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hse08fx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vdw_main.F xc_vdw_main.F:848:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vdw_util.F xc_vdw_util.F:313:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xsogga.F xc_xsogga.F:362:0: fb5 = CxB5 *Fexp**F5 ^ Warning: 'cxb5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 ^ note: 'cxb5' was declared here xc_xsogga.F:361:0: fb4 = CxB4 *Fexp**F4 ^ Warning: 'cxb4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 ^ note: 'cxb4' was declared here xc_xsogga.F:360:0: fb3 = CxB3 *Fexp**F3 ^ Warning: 'cxb3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 ^ note: 'cxb3' was declared here xc_xsogga.F:359:0: fb2 = CxB2 *Fexp**F2 ^ Warning: 'cxb2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 ^ note: 'cxb2' was declared here xc_xsogga.F:57:0: Warning: 'cxb1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: Warning: 'cxb0' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:356:0: fa5 = CxA5 *Ffrac**F5 ^ Warning: 'cxa5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 ^ note: 'cxa5' was declared here xc_xsogga.F:355:0: fa4 = CxA4 *Ffrac**F4 ^ Warning: 'cxa4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 ^ note: 'cxa4' was declared here xc_xsogga.F:354:0: fa3 = CxA3 *Ffrac**F3 ^ Warning: 'cxa3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 ^ note: 'cxa3' was declared here xc_xsogga.F:353:0: fa2 = CxA2 *Ffrac**F2 ^ Warning: 'cxa2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 ^ note: 'cxa2' was declared here xc_xsogga.F:56:0: Warning: 'cxa1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: Warning: 'cxa0' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xmvs15.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xm11.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_csogga.F xc_csogga.F:239:0: dfb5dR = CcB(5) *(F5 *Fexp**F4) *dFexpdPON*dPONdR ^ Warning: 'ccb[5]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) ^ note: 'ccb[5]' was declared here xc_csogga.F:238:0: dfb4dR = CcB(4) *(F4 *Fexp**F3) *dFexpdPON*dPONdR ^ Warning: 'ccb[4]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) ^ note: 'ccb[4]' was declared here xc_csogga.F:237:0: dfb3dR = CcB(3) *(F3 *Fexp**F2) *dFexpdPON*dPONdR ^ Warning: 'ccb[3]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) ^ note: 'ccb[3]' was declared here xc_csogga.F:236:0: dfb2dR = CcB(2) *(F2 *Fexp) *dFexpdPON*dPONdR ^ Warning: 'ccb[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) ^ note: 'ccb[2]' was declared here xc_csogga.F:65:0: Warning: 'ccb[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:224:0: dfa5dR = CcA(5) *(F5 *Ffrac**F4)*dFfracdPON*dPONdR ^ Warning: 'cca[5]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) ^ note: 'cca[5]' was declared here xc_csogga.F:223:0: dfa4dR = CcA(4) *(F4 *Ffrac**F3)*dFfracdPON*dPONdR ^ Warning: 'cca[4]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) ^ note: 'cca[4]' was declared here xc_csogga.F:222:0: dfa3dR = CcA(3) *(F3 *Ffrac**F2)*dFfracdPON*dPONdR ^ Warning: 'cca[3]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) ^ note: 'cca[3]' was declared here xc_csogga.F:221:0: dfa2dR = CcA(2) *(F2 *Ffrac) *dFfracdPON*dPONdR ^ Warning: 'cca[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) ^ note: 'cca[2]' was declared here xc_csogga.F:65:0: Warning: 'cca[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cm11.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG steric_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_3rd_deriv.F xc_3rd_deriv.F:124:0: note: loop vectorized xc_3rd_deriv.F:124:0: note: loop versioned for vectorization because of possible aliasing xc_3rd_deriv.F:124:0: note: loop peeled for vectorization to enhance alignment xc_3rd_deriv.F:591:0: note: loop vectorized xc_3rd_deriv.F:591:0: note: loop peeled for vectorization to enhance alignment xc_3rd_deriv.F:603:0: note: loop vectorized xc_3rd_deriv.F:603:0: note: loop versioned for vectorization because of possible aliasing xc_3rd_deriv.F:603:0: note: loop peeled for vectorization to enhance alignment xc_3rd_deriv.F:714:0: note: loop vectorized xc_3rd_deriv.F:714:0: note: loop peeled for vectorization to enhance alignment xc_3rd_deriv.F:725:0: note: loop vectorized xc_3rd_deriv.F:725:0: note: loop versioned for vectorization because of possible aliasing xc_3rd_deriv.F:725:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xpw86.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xb86b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xdm.F xc_xdm.F:350:0: note: loop vectorized make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a xc_getv.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_vdw_main.o xc_vdw_util.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/xc' Making all in util make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_chol.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_inverse.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_chol_seq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_inv_seq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_invio.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_gather.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_header.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_mpole.F dft_mpole.F:65:0: note: loop vectorized dft_mpole.F:60:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_scatter.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_tstamp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_pstrace.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_col.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG movecs_log.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nbf_to_mbf.F nbf_to_mbf.F:74:0: note: loop vectorized nbf_to_mbf.F:74:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_frozemb.F dft_frozemb.F:195:0: note: loop vectorized dft_frozemb.F:195:0: note: loop peeled for vectorization to enhance alignment dft_frozemb.F:195:0: note: loop vectorized dft_frozemb.F:195:0: note: loop peeled for vectorization to enhance alignment dft_frozemb.F:123:0: note: loop vectorized dft_frozemb.F:123:0: note: loop peeled for vectorization to enhance alignment dft_frozemb.F:116:0: note: loop vectorized dft_frozemb.F:116:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sca_lab_mat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_utilmap.F dft_utilmap.F:152:0: note: loop vectorized dft_utilmap.F:152:0: note: loop peeled for vectorization to enhance alignment dft_utilmap.F:158:0: note: loop vectorized dft_utilmap.F:158:0: note: loop peeled for vectorization to enhance alignment dft_utilmap.F:164:0: note: loop vectorized dft_utilmap.F:164:0: note: loop peeled for vectorization to enhance alignment dft_utilmap.F:152:0: note: loop vectorized dft_utilmap.F:152:0: note: loop peeled for vectorization to enhance alignment dft_utilmap.F:158:0: note: loop vectorized dft_utilmap.F:158:0: note: loop peeled for vectorization to enhance alignment dft_utilmap.F:164:0: note: loop vectorized dft_utilmap.F:164:0: note: loop peeled for vectorization to enhance alignment dft_utilmap.F:68:0: integer lo(3),hi(3),ld(2),ld12,offs ^ Warning: 'offs' may be used uninitialized in this function [-Wmaybe-uninitialized] dft_utilmap.F:292:0: note: loop vectorized dft_utilmap.F:292:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_genutils.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o sca_lab_mat.o dft_utilmap.o dft_genutils.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/util' Making all in grid make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_sic.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_checks.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_balance.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_rtrunc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_atom_type_info.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_setquad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_setrad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_setang.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_invariant.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_setspac_params.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_acc_def.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_memory.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_update_rtdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_tasks.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_gen_pts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_setspac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_neighb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_cleanup.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_gaussq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_finpts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_loop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_xcfit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_loop.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_pscreen.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_sphere.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_ssw.F grid_ssw.F:115:0: note: loop vectorized grid_ssw.F:115:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_sswold.F grid_sswold.F:159:0: note: loop vectorized grid_sswold.F:159:0: note: loop peeled for vectorization to enhance alignment grid_sswold.F:36:0: double precision ass,distnc,distnn,wsum ^ Warning: 'ass' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_beckew.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_signf.F grid_signf.F:94:0: note: loop vectorized grid_signf.F:94:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_quadvw.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_quadvw1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_bucket.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_utils.F grid_utils.F:257:0: note: loop vectorized grid_utils.F:257:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_sympts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_qpts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_quadv0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_quadv0a.F grid_quadv0a.F:182:0: if(oprint_qbecke) then ^ Warning: 'oprint_qbecke' may be used uninitialized in this function [-Wmaybe-uninitialized] grid_quadv0a.F:50:0: logical oprint_qbecke ^ note: 'oprint_qbecke' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_quadv0b.F grid_quadv0b.F:517:0: note: loop vectorized grid_quadv0b.F:517:0: note: loop peeled for vectorization to enhance alignment grid_quadv0b.F:110:0: note: loop vectorized grid_quadv0b.F:110:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_quadvc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_file.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_eaf.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/grid' Making all in dftgrad make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_grad_top.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_getxc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_gradients.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad_dft.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_getcden.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_getxden.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_gridpart.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_gridv0a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_gridv0.F dftg_gridv0.F:30:28: . iga_dens, force, 0d0, 0, 1, natoms, 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_gridv0b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_griddo.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_cdfit.F dftg_cdfit.F:30:43: & iga_dens, force, 0d0, 0, 0d0, 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_quadv0b.F dftg_quadv0b.F:142:0: note: loop vectorized dftg_quadv0b.F:142:0: note: loop peeled for vectorization to enhance alignment dftg_quadv0b.F:109:0: note: loop vectorized dftg_quadv0b.F:109:0: note: loop versioned for vectorization because of possible aliasing dftg_quadv0b.F:109:0: note: loop peeled for vectorization to enhance alignment dftg_quadv0b.F:102:0: note: loop vectorized dftg_quadv0b.F:102:0: note: loop versioned for vectorization because of possible aliasing dftg_quadv0b.F:102:0: note: loop peeled for vectorization to enhance alignment dftg_quadv0b.F:60:0: note: loop vectorized dftg_quadv0b.F:60:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_grad2.F dftg_grad2.F:35:45: call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dint_block_j.F dint_block_j.F:31:0: note: loop vectorized dint_block_j.F:31:0: note: loop peeled for vectorization to enhance alignment dint_block_j.F:112:0: note: loop vectorized dint_block_j.F:112:0: note: loop peeled for vectorization to enhance alignment dint_block_j.F:189:0: note: loop vectorized dint_block_j.F:189:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG j_nucder_gen.F j_nucder_gen.F:21:55: call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) j_nucder_gen.F:38:49: call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_beckew.F dftg_beckew.F:281:0: note: loop vectorized dftg_beckew.F:281:0: note: loop versioned for vectorization because of possible aliasing dftg_beckew.F:274:0: note: loop vectorized dftg_beckew.F:274:0: note: loop versioned for vectorization because of possible aliasing dftg_beckew.F:120:0: note: loop vectorized dftg_beckew.F:120:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_wderiv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_gridssw.F dftg_gridssw.F:179:0: note: loop vectorized dftg_gridssw.F:179:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_gridsswold.F dftg_gridsswold.F:190:0: note: loop vectorized dftg_gridsswold.F:190:0: note: loop peeled for vectorization to enhance alignment dftg_gridsswold.F:240:0: dmu1dmu=dmu1dmu*alpha_erf ^ Warning: 'alpha_erf' may be used uninitialized in this function [-Wmaybe-uninitialized] dftg_gridsswold.F:46:0: double precision xa,ya,za,alpha_erf ^ note: 'alpha_erf' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_signf.F dftg_signf.F:87:0: note: loop vectorized dftg_signf.F:87:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/dftgrad' Making all in lr_tddft make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_memory.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_iguess.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_dump.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_davidson.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_transfm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_contract.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_epsilon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_subspace.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_diagon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_residual.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_analysis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_dftinit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_finalize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_schmidt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_fold.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_bdtensor.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_patch.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft' Making all in lr_tddft_grad make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft_grad' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_finalize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_print_info.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_ints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_print_header.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_root_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_xy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_load_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_load_xy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_tp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_t.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_r.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_r.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_trans_mo2ao.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_trans_ao2mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_mat_to_vec.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_solve.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_epsilon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_solve_product.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_solve_precond.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_p.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_w.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_g.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_dao.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_get_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_g.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_grad_1e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_grad_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_make_2pdm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_print_result.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_print_array.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_anti_symmetrize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_gxc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_irreg_acc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_fxc_l.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_fix_exc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_store_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_util_print.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_solve_load_x.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_solve_save_x.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_dxcdmat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_dfxc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_quadv0b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_dvxc.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft_grad' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft_grad' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/lr_tddft_grad' Making all in zora make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_utils.F dft_zora_utils.F:216:0: scale_MO=scf_dbl*focc(ind_occ) ^ Warning: 'scf_dbl' may be used uninitialized in this function [-Wmaybe-uninitialized] dft_zora_utils.F:44:0: double precision eval_scal,ener_scal,scf_dbl ^ note: 'scf_dbl' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_utils_so.F dft_zora_utils_so.F:31:0: #include "rtdb.fh" ! FA ^ Warning: extra tokens at end of #include directive ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_rhos.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_rhos_so.F dft_zora_rhos_so.F:407:0: #include "zora.fh" ! Added by FA ^ Warning: extra tokens at end of #include directive dft_zora_rhos_so.F:431:0: integer i_cbq ^ Warning: 'i_cbq' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG gridNuclearPotential.F gridNuclearPotential.F:14:0: #include "global.fh" ! Added for using ga_nodeid() ^ Warning: extra tokens at end of #include directive gridNuclearPotential.F:75:0: #include "global.fh" ! Added for using ga_nodeid() ^ Warning: extra tokens at end of #include directive ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG gridQpqPotential.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_EFGZ4_SR.F zora_getv_EFGZ4_SR.F:97:0: note: loop vectorized zora_getv_EFGZ4_SR.F:97:0: note: loop peeled for vectorization to enhance alignment zora_getv_EFGZ4_SR.F:90:0: note: loop vectorized zora_getv_EFGZ4_SR.F:90:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_EFGZ4_SR.F calc_zora_EFGZ4_SR.F:122:0: note: loop vectorized calc_zora_EFGZ4_SR.F:122:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SR.F:122:0: note: loop vectorized calc_zora_EFGZ4_SR.F:122:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SR.F:122:0: note: loop vectorized calc_zora_EFGZ4_SR.F:122:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SR.F:77:0: note: loop vectorized calc_zora_EFGZ4_SR.F:77:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SR.F:62:0: note: loop vectorized calc_zora_EFGZ4_SR.F:62:0: note: loop versioned for vectorization because of possible aliasing calc_zora_EFGZ4_SR.F:62:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_EFGZ4_SO.F zora_getv_EFGZ4_SO.F:105:0: note: loop vectorized zora_getv_EFGZ4_SO.F:105:0: note: loop peeled for vectorization to enhance alignment zora_getv_EFGZ4_SO.F:98:0: note: loop vectorized zora_getv_EFGZ4_SO.F:98:0: note: loop peeled for vectorization to enhance alignment zora_getv_EFGZ4_SO.F:72:0: note: loop vectorized zora_getv_EFGZ4_SO.F:72:0: note: loop versioned for vectorization because of possible aliasing zora_getv_EFGZ4_SO.F:72:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_EFGZ4_SO.F calc_zora_EFGZ4_SO.F:154:0: note: loop vectorized calc_zora_EFGZ4_SO.F:154:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SO.F:154:0: note: loop vectorized calc_zora_EFGZ4_SO.F:154:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SO.F:88:0: note: loop vectorized calc_zora_EFGZ4_SO.F:88:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SO.F:72:0: note: loop vectorized calc_zora_EFGZ4_SO.F:72:0: note: loop versioned for vectorization because of possible aliasing calc_zora_EFGZ4_SO.F:72:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_NMR.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_NMRCS_SR.F zora_getv_NMRCS_SR.F:156:0: note: loop vectorized zora_getv_NMRCS_SR.F:156:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:150:0: note: loop vectorized zora_getv_NMRCS_SR.F:150:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:122:0: note: loop vectorized zora_getv_NMRCS_SR.F:122:0: note: loop versioned for vectorization because of possible aliasing zora_getv_NMRCS_SR.F:122:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:117:0: note: loop vectorized zora_getv_NMRCS_SR.F:117:0: note: loop versioned for vectorization because of possible aliasing zora_getv_NMRCS_SR.F:117:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:527:0: note: loop vectorized zora_getv_NMRCS_SR.F:527:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:521:0: note: loop vectorized zora_getv_NMRCS_SR.F:521:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:495:0: note: loop vectorized zora_getv_NMRCS_SR.F:495:0: note: loop versioned for vectorization because of possible aliasing zora_getv_NMRCS_SR.F:495:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:487:0: note: loop vectorized zora_getv_NMRCS_SR.F:487:0: note: loop versioned for vectorization because of possible aliasing zora_getv_NMRCS_SR.F:487:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_NMRCS_SR.F calc_zora_NMRCS_SR.F:538:0: note: loop vectorized calc_zora_NMRCS_SR.F:576:0: note: loop vectorized calc_zora_NMRCS_SR.F:158:0: note: loop vectorized calc_zora_NMRCS_SR.F:158:0: note: loop versioned for vectorization because of possible aliasing calc_zora_NMRCS_SR.F:158:0: note: loop peeled for vectorization to enhance alignment calc_zora_NMRCS_SR.F:538:0: note: loop vectorized calc_zora_NMRCS_SR.F:374:0: note: loop vectorized calc_zora_NMRCS_SR.F:374:0: note: loop versioned for vectorization because of possible aliasing calc_zora_NMRCS_SR.F:374:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_EPR.F dft_zora_EPR.F:353:0: note: loop vectorized dft_zora_EPR.F:353:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_EPR-NMR_tools.F dft_zora_EPR-NMR_tools.F:55:0: note: loop vectorized dft_zora_EPR-NMR_tools.F:55:0: note: loop versioned for vectorization because of possible aliasing dft_zora_EPR-NMR_tools.F:121:0: note: loop vectorized dft_zora_EPR-NMR_tools.F:121:0: note: loop versioned for vectorization because of possible aliasing dft_zora_EPR-NMR_tools.F:121:0: note: loop peeled for vectorization to enhance alignment dft_zora_EPR-NMR_tools.F:1003:0: note: loop vectorized dft_zora_EPR-NMR_tools.F:1003:0: note: loop peeled for vectorization to enhance alignment dft_zora_EPR-NMR_tools.F:989:0: note: loop vectorized dft_zora_EPR-NMR_tools.F:989:0: note: loop peeled for vectorization to enhance alignment dft_zora_EPR-NMR_tools.F:1284:0: note: loop vectorized dft_zora_EPR-NMR_tools.F:1284:0: note: loop peeled for vectorization to enhance alignment dft_zora_EPR-NMR_tools.F:1410:0: note: loop vectorized dft_zora_EPR-NMR_tools.F:1410:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_EPR.F zora_getv_EPR.F:118:0: note: loop vectorized zora_getv_EPR.F:118:0: note: loop peeled for vectorization to enhance alignment zora_getv_EPR.F:112:0: note: loop vectorized zora_getv_EPR.F:112:0: note: loop peeled for vectorization to enhance alignment zora_getv_EPR.F:85:0: note: loop vectorized zora_getv_EPR.F:85:0: note: loop versioned for vectorization because of possible aliasing zora_getv_EPR.F:85:0: note: loop peeled for vectorization to enhance alignment zora_getv_EPR.F:80:0: note: loop vectorized zora_getv_EPR.F:80:0: note: loop versioned for vectorization because of possible aliasing zora_getv_EPR.F:80:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_EPR.F calc_zora_EPR.F:378:0: note: loop vectorized calc_zora_EPR.F:330:0: note: loop vectorized calc_zora_EPR.F:378:0: note: loop vectorized calc_zora_EPR.F:130:0: note: loop vectorized calc_zora_EPR.F:130:0: note: loop versioned for vectorization because of possible aliasing calc_zora_EPR.F:130:0: note: loop peeled for vectorization to enhance alignment calc_zora_EPR.F:284:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_Hyperfine.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_HFine.F zora_getv_HFine.F:112:0: note: loop vectorized zora_getv_HFine.F:112:0: note: loop peeled for vectorization to enhance alignment zora_getv_HFine.F:106:0: note: loop vectorized zora_getv_HFine.F:106:0: note: loop peeled for vectorization to enhance alignment zora_getv_HFine.F:409:0: note: loop vectorized zora_getv_HFine.F:409:0: note: loop peeled for vectorization to enhance alignment zora_getv_HFine.F:403:0: note: loop vectorized zora_getv_HFine.F:403:0: note: loop peeled for vectorization to enhance alignment zora_getv_HFine.F:370:0: note: loop vectorized zora_getv_HFine.F:370:0: note: loop versioned for vectorization because of possible aliasing zora_getv_HFine.F:370:0: note: loop peeled for vectorization to enhance alignment zora_getv_HFine.F:705:0: note: loop vectorized zora_getv_HFine.F:705:0: note: loop peeled for vectorization to enhance alignment zora_getv_HFine.F:699:0: note: loop vectorized zora_getv_HFine.F:699:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_HFine.F calc_zora_HFine.F:722:0: note: loop vectorized calc_zora_HFine.F:722:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:541:0: note: loop vectorized calc_zora_HFine.F:239:0: note: loop vectorized calc_zora_HFine.F:119:0: note: loop vectorized calc_zora_HFine.F:119:0: note: loop versioned for vectorization because of possible aliasing calc_zora_HFine.F:119:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:541:0: note: loop vectorized calc_zora_HFine.F:367:0: note: loop vectorized calc_zora_HFine.F:367:0: note: loop versioned for vectorization because of possible aliasing calc_zora_HFine.F:367:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:722:0: note: loop vectorized calc_zora_HFine.F:722:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:647:0: note: loop vectorized calc_zora_HFine.F:647:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:647:0: note: loop vectorized calc_zora_HFine.F:647:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:661:0: note: loop vectorized calc_zora_HFine.F:661:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:661:0: note: loop vectorized calc_zora_HFine.F:661:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:624:0: note: loop vectorized calc_zora_HFine.F:624:0: note: loop versioned for vectorization because of possible aliasing calc_zora_HFine.F:624:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_sf.F zora_getv_sf.F:112:0: note: loop vectorized zora_getv_sf.F:112:0: note: loop peeled for vectorization to enhance alignment zora_getv_sf.F:105:0: note: loop vectorized zora_getv_sf.F:105:0: note: loop peeled for vectorization to enhance alignment zora_getv_sf.F:70:0: note: loop vectorized zora_getv_sf.F:70:0: note: loop versioned for vectorization because of possible aliasing zora_getv_sf.F:70:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_so.F zora_getv_so.F:102:0: note: loop vectorized zora_getv_so.F:102:0: note: loop peeled for vectorization to enhance alignment zora_getv_so.F:96:0: note: loop vectorized zora_getv_so.F:96:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_EFG.F calc_EFG.F:92:0: note: loop vectorized calc_EFG.F:92:0: note: loop peeled for vectorization to enhance alignment calc_EFG.F:92:0: note: loop vectorized calc_EFG.F:92:0: note: loop peeled for vectorization to enhance alignment calc_EFG.F:92:0: note: loop vectorized calc_EFG.F:92:0: note: loop peeled for vectorization to enhance alignment calc_EFG.F:51:0: note: loop vectorized calc_EFG.F:51:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_sf.F calc_zora_sf.F:166:0: note: loop vectorized calc_zora_sf.F:166:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:91:0: note: loop vectorized calc_zora_sf.F:91:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:108:0: note: loop vectorized calc_zora_sf.F:108:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:166:0: note: loop vectorized calc_zora_sf.F:166:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:166:0: note: loop vectorized calc_zora_sf.F:166:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:91:0: note: loop vectorized calc_zora_sf.F:91:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:108:0: note: loop vectorized calc_zora_sf.F:108:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:69:0: note: loop vectorized calc_zora_sf.F:69:0: note: loop versioned for vectorization because of possible aliasing calc_zora_sf.F:69:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_so.F calc_zora_so.F:162:0: note: loop vectorized calc_zora_so.F:162:0: note: loop peeled for vectorization to enhance alignment calc_zora_so.F:55:0: note: loop vectorized calc_zora_so.F:55:0: note: loop versioned for vectorization because of possible aliasing calc_zora_so.F:55:0: note: loop peeled for vectorization to enhance alignment calc_zora_so.F:162:0: note: loop vectorized calc_zora_so.F:162:0: note: loop peeled for vectorization to enhance alignment calc_zora_so.F:81:0: note: loop vectorized calc_zora_so.F:81:0: note: loop peeled for vectorization to enhance alignment calc_zora_so.F:69:0: note: loop vectorized calc_zora_so.F:69:0: note: loop versioned for vectorization because of possible aliasing calc_zora_so.F:69:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridQpqPotential.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/zora' Making all in spec make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_PDSYVER dft_vspec.F dft_vspec.F:276:0: note: loop vectorized dft_vspec.F:276:0: note: loop versioned for vectorization because of possible aliasing dft_vspec.F:276:0: note: loop peeled for vectorization to enhance alignment dft_vspec.F:231:0: note: loop vectorized dft_vspec.F:231:0: note: loop versioned for vectorization because of possible aliasing dft_vspec.F:231:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_PDSYVER dft_vspec_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_PDSYVER dft_xps.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/spec' Making all in rt_tddft make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft.F Making all in matutils make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/matutils' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT convert_d2z.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT convert_z2d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT pack_buffer2ga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT pack_ga2buffer.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT matutils.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT dmat_io.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zmat_diag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zmat_inv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zmat_checksum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zmat_spectral_range.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zmat_max_abs_elem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zmat_compare.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT elem_compare.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT calc_array_partitioning.F make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/matutils' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/matutils' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/matutils' Making all in rtutils make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/rtutils' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_debug.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_header.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_output.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_calc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_movecs_gs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_movecs_import.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_moocc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_atpoint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_snapshot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_geom_mask.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_estimate_rem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_vec_quad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_excite.F rt_tddft_excite.F:81:35: call rt_tddft_update_fields (params, tt) 1 Warning: Dummy argument 'params' with INTENT(IN) in variable definition context (actual argument to INTENT = OUT/INOUT) at (1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_checkpoint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_zora_scale.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_project.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_zdens_tot_movecs.F make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/rtutils' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/rtutils' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/rtutils' Making all in input make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/input' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input_put_defaults.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input_field.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input_print.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input_excite.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input_tolerances.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input_visualization.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input.F make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/input' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/input' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/input' Making all in init make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/init' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_coulcdfit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_zora.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_dip_quad_ints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_fock2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_geoms.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_rtdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_check_params.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_overlap_canorg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_common.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_clean.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT task_rt_tddft.F make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/init' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/init' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/init' Making all in canorg make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/canorg' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT canorg_check.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT canorg_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT canorg_clean.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT canorg_trans.F make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/canorg' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/canorg' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/canorg' Making all in propagators make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/propagators' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT exp_diag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT exp_pseries.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT prop_euler.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT prop_magnus_exp_bch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT prop_magnus_exp_bch_scaled.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT prop_magnus_ord2_interpol.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT prop_magnus_ord2_step.F make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/propagators' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/propagators' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/propagators' Making all in closedshell make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/closedshell' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_build.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_core.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_core_scalarzora.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_coulcdfit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_coul_exchre.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_coul.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_dftxc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_exch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_exchim.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_cs_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_cs_confirm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_cs_checkpoint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_cs_restart.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_cs_prop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_cs_tdfock.F make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/closedshell' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/closedshell' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/closedshell' Making all in openshell make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/openshell' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_build.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_core.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_core_scalarzora.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_coul.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_coulcdfit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_exch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_dftxc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_confirm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_prop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_tdfock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_checkpoint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_print.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_restart.F make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/openshell' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/openshell' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft/openshell' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a rt_tddft.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft/rt_tddft' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a nwdft.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwdft.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwdft' Making libraries in rimp2 make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2_v_e2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mk_1d_shdist.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_by_shells.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xf3ci_step12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xf3ci_step3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xform_3cints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG occ_ranges.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2_xf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG close_3ci.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG open_3ci.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG put_3cints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_3cints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dgecop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O lnblnk.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG max_v_diag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2_parm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2_timers.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pr_corr_map.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prog_report.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xf3ci_mem12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O iamax.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2_e_mem.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2_denom.F rimp2_denom.F:159:0: note: loop vectorized rimp2_denom.F:159:0: note: loop peeled for vectorization to enhance alignment rimp2_denom.F:159:0: note: loop vectorized rimp2_denom.F:159:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sum_pairs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xf3ci_s12a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xf3ci_s12b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG eval_3ci.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/librimp2.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/librimp2.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/librimp2.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/librimp2.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/rimp2' Making libraries in stepper make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_cheker.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_chkhess.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_clnstp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_cneed.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_cross.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_fndmde.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_formup.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_gmass.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_hesupd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_hmass.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_inihes.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_face.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_locate.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_matout.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_mgeom.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_mkstep.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_mktri.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_output.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_place.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_pmat.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_prntpd.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_projec.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_putbck.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_readsq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_save.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_setmass.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_stepcor.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_stepper.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_sumstc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_tprntd.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_uprcase.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_wlkchk.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_wrtsq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_walk.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_datestp.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG distang.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_gh_at.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_gen_aux.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_filenames.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stepper_inp.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_partit.F stpr_partit.F:751:0: note: loop vectorized stpr_partit.F:751:0: note: loop versioned for vectorization because of possible aliasing stpr_partit.F:751:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:739:0: note: loop vectorized stpr_partit.F:739:0: note: loop versioned for vectorization because of possible aliasing stpr_partit.F:739:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:454:0: note: loop vectorized stpr_partit.F:454:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:436:0: note: loop vectorized stpr_partit.F:436:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:372:0: note: loop vectorized stpr_partit.F:372:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:335:0: note: loop vectorized stpr_partit.F:335:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:101:0: note: loop vectorized stpr_partit.F:101:0: note: loop versioned for vectorization because of possible aliasing make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libstepper.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libstepper.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libstepper.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libstepper.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/stepper' Making libraries in driver make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG opt_drv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG oniom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lbfgs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lbfgs-b.F lbfgs-b.F:533:49: + zero,nint,word,iback,stp,xstep,k, 1 Warning: Type mismatch in argument 'xstep' at (1); passed REAL(4) to REAL(8) lbfgs-b.F:760:22: + dtd,xstep,stpmx,iter,ifun,iback,nfgv,info,task, 1 Warning: Type mismatch in argument 'xstep' at (1); passed REAL(4) to REAL(8) lbfgs-b.F:815:54: + sbgnrm,nint,word,iword,iback,stp,xstep) 1 Warning: Type mismatch in argument 'xstep' at (1); passed REAL(4) to REAL(8) lbfgs-b.F:909:43: + time,nint,word,iback,stp,xstep,k, 1 Warning: Type mismatch in argument 'xstep' at (1); passed REAL(4) to REAL(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lbfgs-b_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lbfgs_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lbfgs_utils.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG driver_input.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdriver.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o driver_input.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdriver.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdriver.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdriver.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/driver' Making libraries in optim make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim' Making all in deloc make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG deloc_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG deloc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG deloc_utils.F deloc_utils.F:133:0: note: loop vectorized deloc_utils.F:133:0: note: loop peeled for vectorization to enhance alignment deloc_utils.F:133:0: note: loop vectorized deloc_utils.F:133:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/deloc' Making all in mepgs make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mepgs_drv.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mepgs_input.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/mepgs' Making all in tropt make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tropt_drv.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tropt_input.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a tropt_drv.o tropt_input.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/tropt' Making all in neb make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG neb_input.F neb_input.F:362:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG neb_drv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG neb_utils.F neb_utils.F:1050:0: note: loop vectorized neb_utils.F:1050:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1676:0: note: basic block vectorized neb_utils.F:1704:0: note: loop vectorized neb_utils.F:1704:0: note: loop versioned for vectorization because of possible aliasing neb_utils.F:1704:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1675:0: note: loop vectorized neb_utils.F:1675:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1665:0: note: loop vectorized neb_utils.F:1665:0: note: loop versioned for vectorization because of possible aliasing neb_utils.F:1665:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1647:0: note: loop vectorized neb_utils.F:1647:0: note: loop versioned for vectorization because of possible aliasing neb_utils.F:1647:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1613:0: note: loop vectorized neb_utils.F:1602:0: note: loop vectorized neb_utils.F:1602:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1446:0: note: loop vectorized neb_utils.F:1421:0: note: loop vectorized neb_utils.F:1326:0: note: loop vectorized neb_utils.F:1321:0: note: loop vectorized neb_utils.F:1050:0: note: loop vectorized neb_utils.F:1050:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1006:0: note: loop vectorized neb_utils.F:1006:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1034:0: note: loop vectorized neb_utils.F:1034:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1029:0: note: loop vectorized neb_utils.F:1029:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1098:0: note: loop vectorized neb_utils.F:1098:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1086:0: note: loop vectorized neb_utils.F:1086:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bead_list.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/neb' Making all in string make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG string.F string.F:1763:0: note: loop vectorized string.F:1755:0: note: loop vectorized string.F:944:0: note: loop vectorized string.F:944:0: note: loop peeled for vectorization to enhance alignment string.F:1483:0: note: loop vectorized string.F:1457:0: note: loop vectorized string.F:1463:0: note: loop vectorized string.F:1463:0: note: loop peeled for vectorization to enhance alignment string.F:1468:0: note: loop vectorized string.F:1474:0: note: loop vectorized string.F:1479:0: note: loop vectorized string.F:1204:0: note: loop vectorized string.F:1950:0: note: loop vectorized string.F:1950:0: note: loop versioned for vectorization because of possible aliasing string.F:1950:0: note: loop peeled for vectorization to enhance alignment string.F:1848:0: note: loop vectorized string.F:1848:0: note: loop versioned for vectorization because of possible aliasing string.F:1848:0: note: loop peeled for vectorization to enhance alignment string.F:1826:0: note: loop vectorized string.F:1531:0: note: loop vectorized string.F:1531:0: note: loop versioned for vectorization because of possible aliasing string.F:1522:0: note: loop vectorized string.F:1522:0: note: loop versioned for vectorization because of possible aliasing string.F:1567:0: note: loop vectorized string.F:1567:0: note: loop versioned for vectorization because of possible aliasing string.F:1557:0: note: loop vectorized string.F:1557:0: note: loop versioned for vectorization because of possible aliasing string.F:1632:0: note: loop vectorized string.F:1632:0: note: loop versioned for vectorization because of possible aliasing string.F:1848:0: note: loop vectorized string.F:1848:0: note: loop versioned for vectorization because of possible aliasing string.F:1848:0: note: loop peeled for vectorization to enhance alignment string.F:1826:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG string_input.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a string.o string_input.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/liboptim.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim/string' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/optim' Making libraries in cphf make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cphf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cphf_poliz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cphf_solve.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cphf_solve2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cphf_solve3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cphf_solve4.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcphf.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcphf.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcphf.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcphf.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cphf' Making libraries in ccsd make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccden_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccden_interm2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccden_1pdm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_sortmo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec geaxpy.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccden_2pdma.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccden_2pdmb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_mktau_ga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccden_interm4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoccsd2.F aoccsd2.F:1143:0: note: loop vectorized aoccsd2.F:1143:0: note: loop peeled for vectorization to enhance alignment aoccsd2.F:1132:0: note: loop vectorized aoccsd2.F:1132:0: note: loop peeled for vectorization to enhance alignment aoccsd2.F:1124:0: note: loop vectorized aoccsd2.F:1124:0: note: loop peeled for vectorization to enhance alignment aoccsd2.F:1116:0: note: loop vectorized aoccsd2.F:1116:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_itm.F ccsd_itm.F:704:0: note: loop vectorized ccsd_itm.F:704:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:677:0: note: loop vectorized ccsd_itm.F:677:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:593:0: note: loop vectorized ccsd_itm.F:593:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:502:0: note: loop vectorized ccsd_itm.F:502:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:361:0: note: loop vectorized ccsd_itm.F:361:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:315:0: note: loop vectorized ccsd_itm.F:315:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:266:0: note: loop vectorized ccsd_itm.F:266:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:245:0: note: loop vectorized ccsd_itm.F:245:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:236:0: note: loop vectorized ccsd_itm.F:236:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:210:0: note: loop vectorized ccsd_itm.F:210:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:202:0: note: loop vectorized ccsd_itm.F:202:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:178:0: note: loop vectorized ccsd_itm.F:178:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:160:0: note: loop vectorized ccsd_itm.F:160:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:115:0: note: loop vectorized ccsd_itm.F:115:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:84:0: note: loop vectorized ccsd_itm.F:84:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_t2pm.F ccsd_t2pm.F:252:0: note: loop vectorized ccsd_t2pm.F:252:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2pm.F:252:0: note: loop peeled for vectorization to enhance alignment ccsd_t2pm.F:200:0: note: loop vectorized ccsd_t2pm.F:200:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_pampt2.F ccsd_pampt2.F:306:0: note: loop vectorized ccsd_pampt2.F:306:0: note: loop peeled for vectorization to enhance alignment ccsd_pampt2.F:300:0: note: loop vectorized ccsd_pampt2.F:300:0: note: loop peeled for vectorization to enhance alignment ccsd_pampt2.F:231:0: note: loop vectorized ccsd_pampt2.F:231:0: note: loop peeled for vectorization to enhance alignment ccsd_pampt2.F:197:0: note: loop vectorized ccsd_pampt2.F:197:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_pampt3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_tengy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_tengy_bgp.F ccsd_tengy_bgp.F:33:0: note: loop vectorized ccsd_tengy_bgp.F:33:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_trpdrv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_trpdrv_nb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_trpdrv_omp.F ccsd_trpdrv_omp.F:286:0: note: loop vectorized ccsd_trpdrv_omp.F:286:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG moints_trp.F moints_trp.F:679:0: note: loop vectorized moints_trp.F:679:0: note: loop peeled for vectorization to enhance alignment moints_trp.F:574:0: note: loop vectorized moints_trp.F:574:0: note: loop peeled for vectorization to enhance alignment moints_trp.F:526:0: note: loop vectorized moints_trp.F:526:0: note: loop peeled for vectorization to enhance alignment moints_trp.F:160:0: note: loop vectorized moints_trp.F:160:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_aux.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_fsig1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_fsig2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_get_param.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_iterdrv2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_mktask.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_mkt2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_pdiis.F ccsd_pdiis.F:106:0: note: loop vectorized ccsd_pdiis.F:106:0: note: loop peeled for vectorization to enhance alignment ccsd_pdiis.F:68:0: note: loop vectorized ccsd_pdiis.F:68:0: note: loop peeled for vectorization to enhance alignment ccsd_pdiis.F:55:0: note: loop vectorized ccsd_pdiis.F:55:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_trpmo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_rdtrpo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qstat.F qstat.F:153:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cputime.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rddcom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_graddrv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_zvecs.F ccsd_zvecs.F:191:0: note: loop vectorized ccsd_zvecs.F:191:0: note: loop peeled for vectorization to enhance alignment ccsd_zvecs.F:168:0: note: loop vectorized ccsd_zvecs.F:168:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_pzamp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_zsig1.F ccsd_zsig1.F:395:0: note: loop vectorized ccsd_zsig1.F:395:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:374:0: note: loop vectorized ccsd_zsig1.F:374:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:299:0: note: loop vectorized ccsd_zsig1.F:299:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:293:0: note: loop vectorized ccsd_zsig1.F:293:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:211:0: note: loop vectorized ccsd_zsig1.F:211:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:178:0: note: loop vectorized ccsd_zsig1.F:178:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:139:0: note: loop vectorized ccsd_zsig1.F:139:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:126:0: note: loop vectorized ccsd_zsig1.F:126:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:111:0: note: loop vectorized ccsd_zsig1.F:111:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:98:0: note: loop vectorized ccsd_zsig1.F:98:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:53:0: note: loop vectorized ccsd_zsig1.F:53:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_zsig2.F ccsd_zsig2.F:385:0: note: loop vectorized ccsd_zsig2.F:385:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:333:0: note: loop vectorized ccsd_zsig2.F:333:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:326:0: note: loop vectorized ccsd_zsig2.F:326:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:303:0: note: loop vectorized ccsd_zsig2.F:303:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:236:0: note: loop vectorized ccsd_zsig2.F:236:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:125:0: note: loop vectorized ccsd_zsig2.F:125:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:101:0: note: loop vectorized ccsd_zsig2.F:101:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:76:0: note: loop vectorized ccsd_zsig2.F:76:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:72:0: note: loop vectorized ccsd_zsig2.F:72:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:52:0: note: loop vectorized ccsd_zsig2.F:52:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_z2pm.F ccsd_z2pm.F:99:0: note: loop vectorized ccsd_z2pm.F:99:0: note: loop versioned for vectorization because of possible aliasing ccsd_z2pm.F:99:0: note: loop peeled for vectorization to enhance alignment ccsd_z2pm.F:270:0: note: loop vectorized ccsd_z2pm.F:270:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_tzinta.F ccsd_tzinta.F:59:0: note: loop vectorized ccsd_tzinta.F:59:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_tzintb.F ccsd_tzintb.F:230:0: note: loop vectorized ccsd_tzintb.F:230:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:194:0: note: loop vectorized ccsd_tzintb.F:194:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:136:0: note: loop vectorized ccsd_tzintb.F:136:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:128:0: note: loop vectorized ccsd_tzintb.F:128:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:101:0: note: loop vectorized ccsd_tzintb.F:101:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:93:0: note: loop vectorized ccsd_tzintb.F:93:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:84:0: note: loop vectorized ccsd_tzintb.F:84:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_pstat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_aosig.F ccsd_aosig.F:139:0: note: loop vectorized ccsd_aosig.F:120:0: note: loop vectorized ccsd_aosig.F:120:0: note: loop peeled for vectorization to enhance alignment ccsd_aosig.F:101:0: note: loop vectorized ccsd_aosig.F:72:0: note: loop vectorized ccsd_aosig.F:52:0: note: loop vectorized make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libccsd.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_tengy.o ccsd_tengy_bgp.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o moints_trp.o ccsd.o ccsd_aux.o ccsd_fsig1.o ccsd_fsig2.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o ccsd_aosig.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libccsd.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libccsd.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libccsd.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccsd' Making libraries in vib make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_bcalc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_bdiha5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_bend.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_bstr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_cebdab.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_chkhess.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_clean.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_cross.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_dsquar.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_dtrngl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_eckart.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_gtors.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_hmass.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_libe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_nmass.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_prdata.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_prntpd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_rdinp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_setup.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_tors.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_transp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_vib.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_wmatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_wrtfreq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_zmatin.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_intense.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_istep.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_thermo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_phonon.F vib_phonon.F:146:26: > dcpl_mb(work(1)),dbl_mb(w2(1)), 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_zone_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_input.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_callg.F vib_callg.F:235:0: note: loop vectorized vib_callg.F:235:0: note: loop versioned for vectorization because of possible aliasing vib_callg.F:235:0: note: loop peeled for vectorization to enhance alignment vib_callg.F:202:0: note: loop vectorized vib_callg.F:202:0: note: loop peeled for vectorization to enhance alignment vib_callg.F:185:0: note: loop vectorized vib_callg.F:185:0: note: loop versioned for vectorization because of possible aliasing vib_callg.F:185:0: note: loop peeled for vectorization to enhance alignment vib_callg.F:156:0: note: loop vectorized vib_callg.F:156:0: note: loop versioned for vectorization because of possible aliasing vib_callg.F:156:0: note: loop peeled for vectorization to enhance alignment vib_callg.F:97:0: note: loop vectorized vib_callg.F:97:0: note: loop peeled for vectorization to enhance alignment vib_callg.F:82:0: note: loop vectorized vib_callg.F:82:0: note: loop peeled for vectorization to enhance alignment make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libvib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libvib.a vib_bcalc.o vib_bdiha5.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libvib.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libvib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libvib.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vib' Making libraries in mcscf make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_aux.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_ci.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_etr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_fcore.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_fock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_hdiag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_ohv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_ohv1e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_ohv2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_ohvao.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_ohvmo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_orb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_prcnd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_debug.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../ddscf -I./detci -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DOLD_DAVIDSON mcscf_input.F Making all in detci make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG detci_aux.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG detci_intf.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG detci_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG detci_diag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG detci_sigma.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG detci_spin.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmcscf.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmcscf.a detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmcscf.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmcscf.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmcscf.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf/detci' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmcscf.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmcscf.a mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmcscf.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmcscf.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mcscf' Making libraries in prepar make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prepar.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_admin.F pre_admin.F:178:0: return ^ Warning: '__result_pre_admin' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_admin.F:1:0: logical function pre_admin(lfncmd,filcmd,lfnout,lfnfrg) ^ note: '__result_pre_admin' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_align.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_ang.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_atmscn.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_atnam.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_atnum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_atom_index.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_atrad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_atype.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_base.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_bnd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_bonds.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_boxsiz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_center.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_charge.F pre_charge.F:263:0: note: loop vectorized pre_charge.F:263:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_check.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_collaps.F pre_collaps.F:167:0: note: loop vectorized pre_collaps.F:167:0: note: loop peeled for vectorization to enhance alignment pre_collaps.F:122:0: note: loop vectorized pre_collaps.F:54:0: note: loop vectorized pre_collaps.F:54:0: note: loop versioned for vectorization because of possible aliasing pre_collaps.F:54:0: note: loop peeled for vectorization to enhance alignment pre_collaps.F:278:0: xs(k,i)=xs(k,i)+root*tran(k) ^ Warning: 'tran[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_collaps.F:45:0: real*8 tr(3),tran(3),xmax(3),xmin(3) ^ note: 'tran[2]' was declared here pre_collaps.F:278:0: xs(k,i)=xs(k,i)+root*tran(k) ^ Warning: 'tran[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_collaps.F:45:0: real*8 tr(3),tran(3),xmax(3),xmin(3) ^ note: 'tran[1]' was declared here pre_collaps.F:278:0: xs(k,i)=xs(k,i)+root*tran(k) ^ Warning: 'tran[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_collaps.F:45:0: real*8 tr(3),tran(3),xmax(3),xmin(3) ^ note: 'tran[0]' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_crop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_dih.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_dihimp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_dihsel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_dimens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_disres.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_dummy.F pre_dummy.F:107:0: note: loop vectorized pre_dummy.F:107:0: note: loop versioned for vectorization because of possible aliasing pre_dummy.F:107:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_equiv.F pre_equiv.F:42:0: note: loop vectorized pre_equiv.F:42:0: note: loop versioned for vectorization because of possible aliasing pre_equiv.F:42:0: note: loop peeled for vectorization to enhance alignment pre_equiv.F:16:0: note: loop vectorized pre_equiv.F:16:0: note: loop versioned for vectorization because of possible aliasing pre_equiv.F:16:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_excl.F pre_excl.F:22:0: note: loop vectorized pre_excl.F:31:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_ffield.F pre_ffield.F:324:0: elseif(icomb.eq.3) then ^ Warning: 'jcomb' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_ffield.F:39:0: integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb ^ note: 'jcomb' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_fix.F pre_fix.F:168:0: note: loop vectorized pre_fix.F:168:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_frgsiz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_frgrd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_gensgm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_his.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_hnames.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_hybrid.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_imp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_links.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_master.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_merge.F pre_merge.F:88:0: + (card(17:17).ne.altloc).and.(altloc.ne.'*')) goto 1 ^ Warning: 'altloc[1]{lb: 1 sz: 1}' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_merge.F:14:0: character*1 altloc,chain ^ note: 'altloc[1]{lb: 1 sz: 1}' was declared here pre_merge.F:95:0: + (card(22:22).ne.chain).and.(chain.ne.'*')) goto 1 ^ Warning: 'chain[1]{lb: 1 sz: 1}' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_merge.F:14:0: character*1 altloc,chain ^ note: 'chain[1]{lb: 1 sz: 1}' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_misfit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_mkfrg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_mklist.F pre_mklist.F:838:0: note: loop vectorized pre_mklist.F:838:0: note: loop versioned for vectorization because of possible aliasing pre_mklist.F:838:0: note: loop peeled for vectorization to enhance alignment pre_mklist.F:833:0: note: loop vectorized pre_mklist.F:833:0: note: loop versioned for vectorization because of possible aliasing pre_mklist.F:833:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_mknoe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_mkrst.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_mkseq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_mksgm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_mktop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_modify.F pre_modify.F:358:0: note: loop vectorized pre_modify.F:358:0: note: loop versioned for vectorization because of possible aliasing pre_modify.F:358:0: note: loop peeled for vectorization to enhance alignment pre_modify.F:281:0: note: loop vectorized pre_modify.F:281:0: note: loop versioned for vectorization because of possible aliasing pre_modify.F:281:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_multip.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_namiup.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_natyps.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_nonbon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_nucleic.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_orient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_params.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_parcnv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_paths.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_paths2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_pdbseq.F pre_pdbseq.F:301:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_pdbsiz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_protein.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_rdgeom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_rdpdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_rstmod.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_rdrst.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_rdseq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_rdsgm.F pre_rdsgm.F:327:0: note: loop vectorized pre_rdsgm.F:327:0: note: loop versioned for vectorization because of possible aliasing pre_rdsgm.F:327:0: note: loop peeled for vectorization to enhance alignment pre_rdsgm.F:291:0: note: loop vectorized pre_rdsgm.F:291:0: note: loop versioned for vectorization because of possible aliasing pre_rdsgm.F:291:0: note: loop peeled for vectorization to enhance alignment pre_rdsgm.F:264:0: note: loop vectorized pre_rdsgm.F:264:0: note: loop peeled for vectorization to enhance alignment pre_rdsgm.F:159:0: note: loop vectorized pre_rdsgm.F:159:0: note: loop versioned for vectorization because of possible aliasing pre_rdsgm.F:159:0: note: loop peeled for vectorization to enhance alignment pre_rdsgm.F:75:0: note: loop vectorized pre_rdsgm.F:75:0: note: loop versioned for vectorization because of possible aliasing pre_rdsgm.F:75:0: note: loop peeled for vectorization to enhance alignment pre_rdsgm.F:268:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_removw.F pre_removw.F:148:0: note: loop vectorized pre_removw.F:148:0: note: loop versioned for vectorization because of possible aliasing pre_removw.F:121:0: note: loop vectorized pre_removw.F:121:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_rename.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_repeat.F pre_repeat.F:59:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_rot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_rotate.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_rstsiz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_rtdbin.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_rtdbsq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_select.F pre_select.F:45:40: call atom_selection(csa,isegm,nsa,card,int_mb(i_list)) 1 Warning: Character length of actual argument shorter than of dummy argument 'target' (80/255) at (1) pre_select.F:162:0: note: loop vectorized pre_select.F:162:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_seqsiz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_sgmfil.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_sgmndx.F pre_sgmndx.F:50:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_sgmnum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_sgmsiz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_short.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_slvnum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_slvrd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_slvsiz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_solvat.F pre_solvat.F:106:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_task.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_term.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_third.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_toprd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_topsiz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_torang.F pre_torang.F:13:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_transl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_wrtnam.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_wrtnoe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_wrtpdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_wrtpmf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_wrtpov.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_wrtrst.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_wrtseq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_wrtsgm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_wrttop.F pre_wrttop.F:470:0: note: loop vectorized pre_wrttop.F:454:0: note: loop vectorized pre_wrttop.F:172:0: note: loop vectorized pre_wrttop.F:172:0: note: loop versioned for vectorization because of possible aliasing pre_wrttop.F:139:0: note: loop vectorized pre_wrttop.F:139:0: note: loop versioned for vectorization because of possible aliasing pre_wrttop.F:110:0: note: loop vectorized pre_wrttop.F:110:0: note: loop versioned for vectorization because of possible aliasing pre_wrttop.F:110:0: note: loop peeled for vectorization to enhance alignment pre_wrttop.F:104:0: note: loop vectorized pre_wrttop.F:104:0: note: loop versioned for vectorization because of possible aliasing pre_wrttop.F:104:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_wrtxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pre_impctr.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libprepar.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libprepar.a prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libprepar.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libprepar.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libprepar.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/prepar' Making libraries in esp make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_dalloc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_denmat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_elemom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_esp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_fastesp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_getden.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_fit.F esp_fit.F:350:0: note: loop vectorized esp_fit.F:350:0: note: loop peeled for vectorization to enhance alignment esp_fit.F:311:0: note: loop vectorized esp_fit.F:311:0: note: loop peeled for vectorization to enhance alignment esp_fit.F:282:0: note: loop vectorized esp_fit.F:282:0: note: loop peeled for vectorization to enhance alignment esp_fit.F:298:0: note: loop vectorized esp_fit.F:298:0: note: loop peeled for vectorization to enhance alignment esp_fit.F:148:0: note: loop vectorized esp_fit.F:148:0: note: loop peeled for vectorization to enhance alignment esp_fit.F:47:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_getg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_getx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_grdcnt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_grid.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_malloc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_matinv.F esp_matinv.F:24:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_out.F esp_out.F:73:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_plt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_rms.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_rtdbin.F esp_rtdbin.F:203:0: note: loop vectorized esp_rtdbin.F:203:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_wrtinp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG esp_jacobi.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libesp.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libesp.a esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libesp.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libesp.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libesp.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/esp' Making libraries in hessian make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_blas.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_input.F Making all in analytic make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_anal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_energyinit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_check.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nucdd_cont.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nucdd_calc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG oned_calc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG onedd_cont.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_wdens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG onedd_calc.F onedd_calc.F:254:0: note: loop vectorized onedd_calc.F:254:0: note: loop peeled for vectorization to enhance alignment onedd_calc.F:217:0: note: loop vectorized onedd_calc.F:217:0: note: loop peeled for vectorization to enhance alignment onedd_calc.F:181:0: note: loop vectorized onedd_calc.F:181:0: note: loop peeled for vectorization to enhance alignment onedd_calc.F:155:0: note: loop vectorized onedd_calc.F:155:0: note: loop peeled for vectorization to enhance alignment onedd_calc.F:122:0: note: loop vectorized onedd_calc.F:122:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_dipder.F hess_dipder.F:458:0: note: loop vectorized hess_dipder.F:458:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG twodd_cont.F twodd_cont.F:210:0: note: loop vectorized twodd_cont.F:210:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG twodd_coul_ex.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shell_fock_build.F shell_fock_build.F:880:0: note: loop vectorized shell_fock_build.F:880:0: note: loop peeled for vectorization to enhance alignment shell_fock_build.F:803:0: note: loop vectorized shell_fock_build.F:803:0: note: loop peeled for vectorization to enhance alignment shell_fock_build.F:238:0: note: loop vectorized shell_fock_build.F:238:0: note: loop peeled for vectorization to enhance alignment shell_fock_build.F:86:0: note: loop vectorized shell_fock_build.F:86:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shell_fock_build_cam.F shell_fock_build_cam.F:214:0: note: loop vectorized shell_fock_build_cam.F:214:0: note: loop peeled for vectorization to enhance alignment shell_fock_build_cam.F:188:0: note: loop vectorized shell_fock_build_cam.F:188:0: note: loop peeled for vectorization to enhance alignment shell_fock_build_cam.F:485:0: note: loop vectorized shell_fock_build_cam.F:485:0: note: loop peeled for vectorization to enhance alignment shell_fock_build_cam.F:459:0: note: loop vectorized shell_fock_build_cam.F:459:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_cphf.F hess_cphf.F:1119:0: note: loop vectorized hess_cphf.F:1119:0: note: loop versioned for vectorization because of possible aliasing hess_cphf.F:1119:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_pxfy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_sxsy.F hess_sxsy.F:99:0: note: loop vectorized hess_sxsy.F:99:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sx_dra.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_wrt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_restart.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_hssout.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_print.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_tidy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_fock_setup.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_fock_finish.F uhf_fock_finish.F:113:0: note: loop vectorized uhf_fock_finish.F:113:0: note: loop versioned for vectorization because of possible aliasing uhf_fock_finish.F:113:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG print_dens_bit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shell_fock_build_ext.F shell_fock_build_ext.F:216:0: note: loop vectorized shell_fock_build_ext.F:216:0: note: loop peeled for vectorization to enhance alignment shell_fock_build_ext.F:63:0: note: loop vectorized shell_fock_build_ext.F:63:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' Making all in dft make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../../nwdft/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_d2expl.F xc_d2expl.F:604:0: note: loop vectorized xc_d2expl.F:604:0: note: loop versioned for vectorization because of possible aliasing xc_d2expl.F:604:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:591:0: note: loop vectorized xc_d2expl.F:591:0: note: loop versioned for vectorization because of possible aliasing xc_d2expl.F:591:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:565:0: note: loop vectorized xc_d2expl.F:565:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:492:0: note: loop vectorized xc_d2expl.F:492:0: note: loop versioned for vectorization because of possible aliasing xc_d2expl.F:492:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:500:0: note: loop vectorized xc_d2expl.F:500:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:409:0: note: loop vectorized xc_d2expl.F:409:0: note: loop versioned for vectorization because of possible aliasing xc_d2expl.F:409:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:417:0: note: loop vectorized xc_d2expl.F:417:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../../nwdft/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cpks_coeff.F xc_cpks_coeff.F:98:0: note: loop vectorized xc_cpks_coeff.F:98:0: note: loop versioned for vectorization because of possible aliasing xc_cpks_coeff.F:98:0: note: loop peeled for vectorization to enhance alignment xc_cpks_coeff.F:225:0: note: loop vectorized xc_cpks_coeff.F:225:0: note: loop peeled for vectorization to enhance alignment xc_cpks_coeff.F:280:0: note: loop vectorized xc_cpks_coeff.F:280:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../../nwdft/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_exit_index.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../../nwdft/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_init_index.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../../nwdft/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_nucder_gen.F xc_nucder_gen.F:26:43: , g_dens, nactive, oactive, hess, 0, 2) 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) xc_nucder_gen.F:53:38: , g_dens, nactive, oactive, 0d0, g_rhs, 3) 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../../nwdft/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_3dacc.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic/dft' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian/analytic' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.a hess_blas.o hess_input.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libhessian.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/hessian' Making libraries in selci make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG iprtri.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prtri.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec selci_icopy.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec selci_output.f selci_output.f:35:33: 1 8h-------- /,blank/8h / 1 Warning: Legacy Extension: Hollerith constant at (1) selci_output.f:35:33: 1 8h-------- /,blank/8h / 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) selci_output.f:34:37: data column/8hcolumn /,asa/8h ,8h00000000 , 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) selci_output.f:34:50: data column/8hcolumn /,asa/8h ,8h00000000 , 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) selci_output.f:35:13: 1 8h-------- /,blank/8h / 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) selci_output.f:34:20: data column/8hcolumn /,asa/8h ,8h00000000 , 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec selci_yacobi.f selci_yacobi.f:149:0: note: loop vectorized selci_yacobi.f:149:0: note: loop versioned for vectorization because of possible aliasing selci_yacobi.f:149:0: note: loop peeled for vectorization to enhance alignment selci_yacobi.f:149:0: note: loop vectorized selci_yacobi.f:149:0: note: loop versioned for vectorization because of possible aliasing selci_yacobi.f:149:0: note: loop peeled for vectorization to enhance alignment selci_yacobi.f:123:0: note: loop vectorized selci_yacobi.f:123:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec tred1.f tred1.f:125:0: note: loop vectorized tred1.f:125:0: note: loop peeled for vectorization to enhance alignment tred1.f:118:0: note: loop vectorized tred1.f:118:0: note: loop peeled for vectorization to enhance alignment tred1.f:111:0: note: loop vectorized tred1.f:111:0: note: loop peeled for vectorization to enhance alignment tred1.f:101:0: note: loop vectorized tred1.f:101:0: note: loop peeled for vectorization to enhance alignment tred1.f:79:0: note: loop vectorized tred1.f:79:0: note: loop peeled for vectorization to enhance alignment tred1.f:64:0: note: loop vectorized tred1.f:64:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec tqlrat.f tqlrat.f:125:0: note: loop vectorized tqlrat.f:125:0: note: loop peeled for vectorization to enhance alignment tqlrat.f:152:0: if (dabs(e2(l)) .le. dabs(c/h)) go to 210 ^ Warning: 'c' may be used uninitialized in this function [-Wmaybe-uninitialized] tqlrat.f:49:0: double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag ^ Warning: 'b' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG loadw.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rdhint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec rdhcon.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec rdhwmt.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec rdconf.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG upkcon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec prtcon.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec wrtcon.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG iodiff.F iodiff.F:106:0: note: loop vectorized iodiff.F:106:0: note: loop peeled for vectorization to enhance alignment iodiff.F:56:0: note: loop vectorized iodiff.F:62:0: note: loop vectorized iodiff.F:70:0: note: loop vectorized iodiff.F:78:0: note: loop vectorized iodiff.F:78:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bserch.F bserch.F:44:0: note: loop vectorized bserch.F:44:0: note: loop versioned for vectorization because of possible aliasing bserch.F:44:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG popcnt32.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG readh.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec selci_renorm.f selci_renorm.f:12:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec selci_sread.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec selci_swrite.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pkcon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec wthcon.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec wtconf.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec vadd.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec idmin.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec isum.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rd1.F rd1.F:43:24: call selci_ulab16(buf(lbuf),info,4) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:61:24: call selci_ulab16(buf(lbuf),info,4) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:64:23: call selci_ulab8(buf(nipbuf+1),ibuf,2*num) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:101:24: call selci_ulab16(buffer(lenbuf),info,4) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:105:23: call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fcidim.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec axb.f axb.f:25:0: note: loop vectorized axb.f:25:0: note: loop peeled for vectorization to enhance alignment axb.f:32:0: note: loop vectorized axb.f:32:0: note: loop peeled for vectorization to enhance alignment axb.f:39:0: note: loop vectorized axb.f:39:0: note: loop peeled for vectorization to enhance alignment axb.f:79:0: note: loop vectorized axb.f:79:0: note: loop peeled for vectorization to enhance alignment axb.f:85:0: note: loop vectorized axb.f:85:0: note: loop peeled for vectorization to enhance alignment axb.f:68:0: note: loop vectorized axb.f:68:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec axbt.f axbt.f:48:0: note: loop vectorized axbt.f:48:0: note: loop peeled for vectorization to enhance alignment axbt.f:55:0: note: loop vectorized axbt.f:55:0: note: loop peeled for vectorization to enhance alignment axbt.f:62:0: note: loop vectorized axbt.f:62:0: note: loop peeled for vectorization to enhance alignment axbt.f:102:0: note: loop vectorized axbt.f:102:0: note: loop peeled for vectorization to enhance alignment axbt.f:108:0: note: loop vectorized axbt.f:108:0: note: loop peeled for vectorization to enhance alignment axbt.f:91:0: note: loop vectorized axbt.f:91:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec gettim.f cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o cputm.o cputm.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG minit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec mxmb.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec selci_check.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG davids.F davids.F:101:45: $ q(iconv), q(ide), q(ici), q(isi), q(indxci), q(ioconf), 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) davids.F:398:0: note: loop vectorized davids.F:398:0: note: loop peeled for vectorization to enhance alignment davids.F:361:0: note: loop vectorized davids.F:361:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sigma.F sigma.F:45:0: note: loop vectorized sigma.F:45:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG conf.F conf.F:58:36: call selci_start(rtdb, title, q(irefo)) 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:467:33: call selci_excit(irefo, q(ioccrf), q(ixstak)) 1 Warning: Type mismatch in argument 'ioccrf' at (1); passed REAL(8) to INTEGER(8) conf.F:62:27: call selci_refgen(q, q(irefo),q(jrefo)) 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:67:23: call selci_chkci(q(irefo),q(indxci),wmatrx) 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:528:0: note: loop vectorized conf.F:528:0: note: loop versioned for vectorization because of possible aliasing conf.F:528:0: note: loop peeled for vectorization to enhance alignment conf.F:166:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ci.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG initci.F initci.F:20:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rdhead.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG load.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG loada.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mkinta.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pconls.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG makeh.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec mkindb.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG eij.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG eijeji.F eijeji.F:48:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG makehd.F makehd.F:87:0: note: loop vectorized makehd.F:87:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG makef.F makef.F:37:0: note: loop vectorized makef.F:37:0: note: loop peeled for vectorization to enhance alignment makef.F:33:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG loadg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG getij.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG makehs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG eirerj.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG loadab.F cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o couple.o couple.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG gtijkl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG eijkj.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG makhdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG eijil.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mknsneed.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG eijkl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG putinb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inicij.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ointer.F ointer.F:39:0: note: loop vectorized ointer.F:50:0: note: loop vectorized ointer.F:63:0: note: loop vectorized ointer.F:85:0: note: loop vectorized ointer.F:85:0: note: loop peeled for vectorization to enhance alignment ointer.F:76:0: note: loop vectorized ointer.F:76:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec oeq.f oeq.f:26:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG selci_select.F selci_select.F:164:0: note: loop vectorized selci_select.F:164:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG selci.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ptidy.F ptidy.F:90:0: note: loop vectorized ptidy.F:83:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG anal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mkindx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG slect.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tester.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mkdele.F mkdele.F:20:0: note: loop vectorized mkdele.F:20:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mkvc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG e0mp2.F e0mp2.F:99:0: note: loop vectorized e0mp2.F:99:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mpdele.F mpdele.F:24:0: note: loop vectorized mpdele.F:24:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stool.F stool.F:119:0: note: loop vectorized stool.F:112:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG restk.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG restin.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orbanal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG selci_hpp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec mxma.f make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libselci.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libselci.a iprtri.o prtri.o selci_icopy.o selci_output.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o popcnt32.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libselci.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libselci.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libselci.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/selci' Making libraries in dplot make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dplot.F dplot.F:595:0: note: loop vectorized dplot.F:595:0: note: loop peeled for vectorization to enhance alignment dplot.F:655:0: & Dbl_mb(k_Charge-1+iAtom)=Dbl_mb(k_Vls+Atom_Off-1+iAtom) ^ Warning: 'atom_off' may be used uninitialized in this function [-Wmaybe-uninitialized] dplot.F:44:0: Integer nGrid,k_Grid,l_Grid,nPoint,nAtom,iAtom,Atom_Off ^ note: 'atom_off' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_grid.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG create_contour.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dmat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG errmem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dplot_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_charges.F get_charges.F:185:0: note: loop vectorized get_charges.F:185:0: note: loop peeled for vectorization to enhance alignment get_charges.F:146:0: note: loop vectorized get_charges.F:146:0: note: loop peeled for vectorization to enhance alignment get_charges.F:140:0: note: loop vectorized get_charges.F:140:0: note: loop peeled for vectorization to enhance alignment get_charges.F:115:0: note: loop vectorized get_charges.F:115:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dplot_defgrid.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dplot_dump.F dplot_dump.F:105:0: note: loop vectorized dplot_dump.F:105:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dplot_dos.F dplot_dos.F:235:0: note: loop vectorized dplot_dos.F:235:0: note: loop peeled for vectorization to enhance alignment dplot_dos.F:213:0: emax=efermi+span/au2ev ^ Warning: 'efermi' may be used uninitialized in this function [-Wmaybe-uninitialized] dplot_dos.F:316:0: note: loop vectorized dplot_dos.F:316:0: note: loop peeled for vectorization to enhance alignment dplot_dos.F:110:0: note: loop vectorized dplot_dos.F:110:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ao_rdm_read.F ao_rdm_read.F:123:0: return ^ Warning: '__result_ao_rdm_read' may be used uninitialized in this function [-Wmaybe-uninitialized] ao_rdm_read.F:1:0: logical function ao_rdm_read(filename,basis, g_dens) ^ note: '__result_ao_rdm_read' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_transden.F get_transden.F:214:0: note: loop vectorized get_transden.F:92:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_diffden.F get_diffden.F:115:0: note: loop vectorized make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdplot.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdplot.a dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdplot.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdplot.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdplot.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dplot' Making libraries in mp2_grad make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_grad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_grad_doit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_cphf_rhs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_tot_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_tot_wdens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_dip_mom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_pstat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_piy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_nos.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_back_transform.F mp2_back_transform.F:88:41: $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) 1 Warning: Rank mismatch in argument 'shdim' at (1) (rank-1 and scalar) mp2_back_transform.F:1016:0: note: loop vectorized mp2_back_transform.F:1016:0: note: loop peeled for vectorization to enhance alignment mp2_back_transform.F:1016:0: note: loop vectorized mp2_back_transform.F:1016:0: note: loop peeled for vectorization to enhance alignment mp2_back_transform.F:1016:0: note: loop vectorized mp2_back_transform.F:1016:0: note: loop peeled for vectorization to enhance alignment mp2_back_transform.F:445:0: note: loop vectorized mp2_back_transform.F:445:0: note: loop peeled for vectorization to enhance alignment mp2_back_transform.F:223:0: note: loop vectorized mp2_back_transform.F:223:0: note: loop versioned for vectorization because of possible aliasing mp2_back_transform.F:223:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_read_tiajb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_pijab_uhf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_wijab_uhf.F mp2_wijab_uhf.F:146:0: note: loop vectorized mp2_wijab_uhf.F:146:0: note: loop peeled for vectorization to enhance alignment mp2_wijab_uhf.F:127:0: note: loop vectorized mp2_wijab_uhf.F:127:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_lai_uhf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_lai_fock_uhf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_memory.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_tuhf.F mp2_make_tuhf.F:233:0: note: loop vectorized mp2_make_tuhf.F:233:0: note: loop peeled for vectorization to enhance alignment mp2_make_tuhf.F:199:0: note: loop vectorized mp2_make_tuhf.F:199:0: note: loop peeled for vectorization to enhance alignment make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmp2.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmp2.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmp2.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmp2.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mp2_grad' Making libraries in qhop make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qhop_setup.F qhop_setup.F:132:0: note: loop vectorized qhop_setup.F:132:0: note: loop versioned for vectorization because of possible aliasing qhop_setup.F:132:0: note: loop peeled for vectorization to enhance alignment qhop_setup.F:125:0: note: loop vectorized qhop_setup.F:125:0: note: loop versioned for vectorization because of possible aliasing qhop_setup.F:125:0: note: loop peeled for vectorization to enhance alignment qhop_setup.F:274:0: do 15 k=ptat(1),ptat(2) ^ Warning: 'ptat[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] qhop_setup.F:193:0: ptseq(latm(5,i),2)=ptat(3) ^ Warning: 'ptat[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qhop_asite.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qhop_dsite.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qhop_prob.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qhop_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qhop_pindex.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qhop_final.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqhop.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqhop.a qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqhop.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqhop.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqhop.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qhop' Making libraries in property make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_efgmap.F hnd_efgmap.F:39:0: integer i_cbq ^ Warning: 'i_cbq' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_efgmap_z4.F hnd_efgmap_z4.F:24:0: #include "msgids.fh" ! Added by FA - for NLMO analysis ^ Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:25:0: #include "zora.fh" ! Added by FA ^ Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:926:0: #include "msgids.fh" ! Added by FA - for tag msg_efgs_col ^ Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:50:0: integer bq_ncent,i_cbq,i_qbq ^ Warning: 'i_cbq' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_elfmap.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_elpmap.F hnd_elpmap.F:39:0: integer i_qbq ^ Warning: 'i_qbq' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_elpmap.F:38:0: integer i_cbq ^ Warning: 'i_cbq' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_eldmap.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_spind.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_elfcon.F hnd_elfcon.F:202:0: note: loop vectorized hnd_elfcon.F:202:0: note: loop peeled for vectorization to enhance alignment hnd_elfcon.F:202:0: note: loop vectorized hnd_elfcon.F:202:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_elfcon_symm.F hnd_elfcon_symm.F:35:0: #include "zora.fh" ! for lbl_nlmo ^ Warning: extra tokens at end of #include directive hnd_elfcon_symm.F:221:0: note: loop vectorized hnd_elfcon_symm.F:221:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_mtpcon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_mtpole.F hnd_mtpole.F:178:0: note: loop vectorized hnd_mtpole.F:139:0: note: loop vectorized hnd_mtpole.F:139:0: note: loop peeled for vectorization to enhance alignment hnd_mtpole.F:106:0: note: loop vectorized hnd_mtpole.F:106:0: note: loop peeled for vectorization to enhance alignment hnd_mtpole.F:660:0: note: loop vectorized hnd_mtpole.F:660:0: note: loop peeled for vectorization to enhance alignment hnd_mtpole.F:635:0: note: loop vectorized hnd_mtpole.F:635:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prop_input.F prop_input.F:193:0: note: loop vectorized prop_input.F:193:0: note: loop versioned for vectorization because of possible aliasing prop_input.F:193:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_mulken.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wnbofile.F wnbofile.F:530:0: note: loop vectorized wnbofile.F:530:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:530:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:522:0: note: loop vectorized wnbofile.F:522:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:522:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:514:0: note: loop vectorized wnbofile.F:514:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:514:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:506:0: note: loop vectorized wnbofile.F:506:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:506:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:498:0: note: loop vectorized wnbofile.F:498:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:498:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:61:0: integer atn, charge, maxL, nat, nbf, ncont, ngeno, nmo, ^ Warning: 'maxl' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wefgfile.F wefgfile.F:49:0: #include "zora.fh" ! FA-04-24-10 ^ Warning: extra tokens at end of #include directive ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG whypfile.F whypfile.F:58:0: #include "zora.fh" ! FA-04-24-10 ^ Warning: extra tokens at end of #include directive whypfile.F:302:0: open (lfn, file=fname_hyp, status='unknown') ^ Warning: 'lfn' may be used uninitialized in this function [-Wmaybe-uninitialized] whypfile.F:82:0: integer lfn ^ note: 'lfn' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wgshiftfile.F wgshiftfile.F:58:0: #include "zora.fh" ! FA-04-24-10 ^ Warning: extra tokens at end of #include directive wgshiftfile.F:316:0: open (lfn, file=fname_gshift, status='unknown') ^ Warning: 'lfn' may be used uninitialized in this function [-Wmaybe-uninitialized] wgshiftfile.F:85:0: integer lfn ^ note: 'lfn' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wshldfile.F wshldfile.F:51:0: #include "zora.fh" ! FA-04-24-10 ^ Warning: extra tokens at end of #include directive wshldfile.F:296:0: open (lfn, file=fname_shield, status='unknown') ^ Warning: 'lfn' may be used uninitialized in this function [-Wmaybe-uninitialized] wshldfile.F:73:0: integer lfn ^ note: 'lfn' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_prp_get_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_prp_vec_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_prop_dens_make.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_property.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG giaofock.F giaofock.F:23:0: integer npol,ntot ^ Warning: 'ntot' may be used uninitialized in this function [-Wmaybe-uninitialized] giaofock.F:151:0: cam_beta1 =factor_cam*cam_beta ^ Warning: 'factor_cam' may be used uninitialized in this function [-Wmaybe-uninitialized] giaofock.F:42:0: double precision factor_cam,cam_alpha1,cam_beta1 ^ note: 'factor_cam' was declared here giaofock.F:366:0: integer npol,ntot ^ Warning: 'ntot' may be used uninitialized in this function [-Wmaybe-uninitialized] giaofock.F:503:0: cam_beta1 =factor_cam*cam_beta ^ Warning: 'factor_cam' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_giaox.F hnd_giaox.F:788:0: note: loop vectorized hnd_giaox.F:788:0: note: loop versioned for vectorization because of possible aliasing hnd_giaox.F:788:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_hyperfine_zora.F hnd_hyperfine_zora.F:764:0: #include "zora.fh" ! for num NMRCS-Z4 ^ Warning: extra tokens at end of #include directive hnd_hyperfine_zora.F:849:0: #include "zora.fh" ! for hyperfine ^ Warning: extra tokens at end of #include directive hnd_hyperfine_zora.F:514:0: note: loop vectorized hnd_hyperfine_zora.F:514:0: note: loop versioned for vectorization because of possible aliasing hnd_hyperfine_zora.F:514:0: note: loop peeled for vectorization to enhance alignment hnd_hyperfine_zora.F:496:0: note: loop vectorized hnd_hyperfine_zora.F:496:0: note: loop versioned for vectorization because of possible aliasing hnd_hyperfine_zora.F:496:0: note: loop peeled for vectorization to enhance alignment hnd_hyperfine_zora.F:295:0: note: loop vectorized hnd_hyperfine_zora.F:243:0: note: loop vectorized hnd_hyperfine_zora.F:200:0: note: loop vectorized hnd_hyperfine_zora.F:200:0: note: loop peeled for vectorization to enhance alignment hnd_hyperfine_zora.F:183:0: note: basic block vectorized hnd_hyperfine_zora.F:577:0: & (eig(ix)*conv2MHz,ix=1,3) ^ Warning: 'conv2mhz' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:37:0: double precision a(6),axs(3,3),eig(3),conv2MHz ^ note: 'conv2mhz' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_gshift_zora.F hnd_gshift_zora.F:5202:0: par_arr(7,iy,ix)=val_ov_noJK*coeffpol*ppt*(-0.25d0) ^ Warning: 'val_ov_nojk' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:5201:0: par_arr(6,iy,ix)=val_ov_Exch*coeffpol*ppt*(-0.25d0) ^ Warning: 'val_ov_exch' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:5204:0: par_arr(9,iy,ix)=val_ov_eSji*coeffpol*ppt*(-0.25d0) ^ Warning: 'val_ov_esji' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:5200:0: par_arr(5,iy,ix)=val_ov_Coul*coeffpol*ppt*(-0.25d0) ^ Warning: 'val_ov_coul' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:5203:0: par_arr(8,iy,ix)=val_ov_1e*coeffpol*ppt*(-0.25d0) ^ Warning: 'val_ov_1e' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:2125:0: & natoms,oskel) ^ Warning: 'k_xyz' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:4939:0: & natoms,oskel) ^ Warning: 'k_xyz' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:1482:0: note: loop vectorized hnd_gshift_zora.F:1482:0: note: loop peeled for vectorization to enhance alignment hnd_gshift_zora.F:4434:0: note: loop vectorized hnd_gshift_zora.F:4434:0: note: loop peeled for vectorization to enhance alignment hnd_gshift_zora.F:1087:0: note: loop vectorized hnd_gshift_zora.F:1087:0: note: loop versioned for vectorization because of possible aliasing hnd_gshift_zora.F:1087:0: note: loop peeled for vectorization to enhance alignment hnd_gshift_zora.F:280:0: note: loop vectorized hnd_gshift_zora.F:239:0: note: loop vectorized hnd_gshift_zora.F:239:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_giaox_zora.F hnd_giaox_zora.F:1017:0: note: loop vectorized hnd_giaox_zora.F:1017:0: note: loop versioned for vectorization because of possible aliasing hnd_giaox_zora.F:1017:0: note: loop peeled for vectorization to enhance alignment hnd_giaox_zora.F:270:0: note: loop vectorized hnd_giaox_zora.F:396:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_giao_1ega.F int_giao_1ega.F:203:0: call ycopy(nextbq,dbl_mb(k_qextbq),1,dbl_mb(k_qbq),1) ^ Warning: 'k_qextbq' may be used uninitialized in this function [-Wmaybe-uninitialized] int_giao_1ega.F:57:0: integer k_qextbq,k_cextbq ^ note: 'k_qextbq' was declared here int_giao_1ega.F:204:0: call ycopy(3*nextbq,dbl_mb(k_cextbq),1,dbl_mb(k_cbq),1) ^ Warning: 'k_cextbq' may be used uninitialized in this function [-Wmaybe-uninitialized] int_giao_1ega.F:57:0: integer k_qextbq,k_cextbq ^ note: 'k_cextbq' was declared here int_giao_1ega.F:148:0: max1e = max1e*nblocks ^ Warning: 'nblocks' may be used uninitialized in this function [-Wmaybe-uninitialized] int_giao_1ega.F:45:0: integer nblocks ^ note: 'nblocks' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG giao_aotomo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_diag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_spinspin.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_sdfc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_psoten.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_dsoten.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prop_atom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoresponse_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoresponse_driver_new.F aoresponse_driver_new.F:962:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_mpole_1ega.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoresponse.F aoresponse.F:1142:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoresponse_beta.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aor_write_roadata.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoresponse_beta2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fiao_f1_movecs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aor_r1_tensor.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aor_r1_beta.F aor_r1_beta.F:570:0: note: loop vectorized aor_r1_beta.F:558:0: note: loop vectorized aor_r1_beta.F:546:0: note: loop vectorized aor_r1_beta.F:535:0: note: loop vectorized aor_r1_beta.F:502:0: note: loop vectorized aor_r1_beta.F:501:0: note: loop vectorized aor_r1_beta.F:550:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aor_r1_beta_anl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG giao_b1_movecs.F giao_b1_movecs.F:114:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fiao_b1_movecs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_vecB1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_vecF1.F get_vecF1.F:327:0: note: loop vectorized get_vecF1.F:327:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_allAOints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoresponse_giao_rhs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_alfaorbeta_reim.F get_alfaorbeta_reim.F:367:0: bhi(3) = ind2 ^ Warning: 'ind2' may be used uninitialized in this function [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:361:0: ahi(3) = ind1 ^ Warning: 'ind1' may be used uninitialized in this function [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:202:0: bhi(3) = ind2 ^ Warning: 'ind2' may be used uninitialized in this function [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:196:0: ahi(3) = ind1 ^ Warning: 'ind1' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG CalcPerturbedTDPmat1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG CalcPerturbedTDPmat1_opt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG localization_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_vec_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ao_1prdm_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ao_1prdm_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG giao_b1_movecs_tools.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aor_r1_beta_anl_tools.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_raman.F task_raman.F:495:19: & lbl_raman, ! in: raman label 1 Warning: Character length of actual argument shorter than of dummy argument 'lbl_raman' (5/255) at (1) task_raman.F:519:19: & lbl_raman, ! in: raman label 1 Warning: Character length of actual argument shorter than of dummy argument 'lbl_raman' (5/255) at (1) task_raman.F:541:19: & lbl_raman, ! in: raman label 1 Warning: Character length of actual argument shorter than of dummy argument 'lbl_raman' (5/255) at (1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG raman_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG raman.F raman.F:61:0: note: loop vectorized raman.F:187:0: note: loop vectorized raman.F:162:0: note: loop vectorized raman.F:495:0: conv_imag = conv_imag + factor*crs_imag(j) ^ Warning: 'factor' may be used uninitialized in this function [-Wmaybe-uninitialized] raman.F:490:0: factor = scale*afac*exp(-bfac* (frq-rminfo(j,1))**2) ^ Warning: 'bfac' may be used uninitialized in this function [-Wmaybe-uninitialized] raman.F:488:0: factor = scale*afac/((frq-rminfo(j,1))**2 + bfac**2) ^ Warning: 'afac' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG waimfile.F waimfile.F:1224:0: note: loop vectorized waimfile.F:1224:0: note: loop versioned for vectorization because of possible aliasing waimfile.F:1224:0: note: loop peeled for vectorization to enhance alignment waimfile.F:1147:0: integer np,iorb,forb,nsf ^ Warning: 'nsf' may be used uninitialized in this function [-Wmaybe-uninitialized] waimfile.F:1222:0: do l=iorb,forb ^ Warning: 'iorb' may be used uninitialized in this function [-Wmaybe-uninitialized] waimfile.F:1222:0: Warning: 'forb' may be used uninitialized in this function [-Wmaybe-uninitialized] waimfile.F:527:0: note: loop vectorized waimfile.F:527:0: note: loop versioned for vectorization because of possible aliasing waimfile.F:527:0: note: loop peeled for vectorization to enhance alignment waimfile.F:527:0: note: loop vectorized waimfile.F:527:0: note: loop versioned for vectorization because of possible aliasing waimfile.F:527:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prop_grid.F prop_grid.F:34:0: note: loop vectorized prop_grid.F:34:0: note: loop peeled for vectorization to enhance alignment prop_grid.F:31:0: note: loop vectorized make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libproperty.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o get_allAOints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o hnd_vec_write.o ao_1prdm_read.o ao_1prdm_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o prop_grid.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libproperty.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libproperty.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libproperty.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/property' Making libraries in solvation make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mnsol_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mnsol_interface.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mnsol.F mnsol.F:1436:31: IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1562:42: IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1785:43: IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1788:43: IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:152:17: $X(LDCOTDR),X(LNC),X(LDAREA),X(LRLIO),X(LURLIO), 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(8) mnsol.F:56:19: CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG solv_data.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cosmo_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cosmo_initialize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cosmo_tidy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cosmo_def_radii.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cosmo_charges.F cosmo_charges.F:163:0: note: loop vectorized cosmo_charges.F:163:0: note: loop peeled for vectorization to enhance alignment cosmo_charges.F:160:0: note: loop vectorized cosmo_charges.F:160:0: note: loop peeled for vectorization to enhance alignment cosmo_charges.F:171:0: note: loop vectorized cosmo_charges.F:171:0: note: loop peeled for vectorization to enhance alignment cosmo_charges.F:168:0: note: loop vectorized cosmo_charges.F:168:0: note: loop peeled for vectorization to enhance alignment cosmo_charges.F:121:0: note: loop vectorized cosmo_charges.F:121:0: note: loop peeled for vectorization to enhance alignment cosmo_charges.F:324:0: note: loop vectorized cosmo_charges.F:324:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_cosmo_lib.F hnd_cosmo_lib.F:2438:25: 1 x(i40),x(i50),deta,ierr,nodcmp) 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) hnd_cosmo_lib.F:2454:27: 1 x(i40),x(i50),deta,ierr,nodcmp) 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) hnd_cosmo_lib.F:1173:0: if (do_cosmo_model.eq.DO_COSMO_YK) nfac =nseg ^ Warning: 'do_cosmo_yk' is used uninitialized in this function [-Wuninitialized] hnd_cosmo_lib.F:3214:0: note: loop vectorized hnd_cosmo_lib.F:3617:0: note: loop vectorized hnd_cosmo_lib.F:3617:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3611:0: note: loop vectorized hnd_cosmo_lib.F:3611:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3589:0: note: loop vectorized hnd_cosmo_lib.F:3589:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3583:0: note: loop vectorized hnd_cosmo_lib.F:3583:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3574:0: note: loop vectorized hnd_cosmo_lib.F:3574:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3566:0: note: loop vectorized hnd_cosmo_lib.F:3566:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3560:0: note: loop vectorized hnd_cosmo_lib.F:3560:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3690:0: note: loop vectorized hnd_cosmo_lib.F:3690:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3679:0: note: loop vectorized hnd_cosmo_lib.F:3679:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3762:0: note: loop vectorized hnd_cosmo_lib.F:3762:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3738:0: note: loop vectorized hnd_cosmo_lib.F:3738:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3726:0: note: loop vectorized hnd_cosmo_lib.F:3726:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3712:0: note: loop vectorized hnd_cosmo_lib.F:3690:0: note: loop vectorized hnd_cosmo_lib.F:3690:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3679:0: note: loop vectorized hnd_cosmo_lib.F:3679:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:598:0: note: loop vectorized hnd_cosmo_lib.F:598:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:541:0: note: loop vectorized hnd_cosmo_lib.F:541:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:552:0: note: loop vectorized hnd_cosmo_lib.F:552:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:485:0: note: loop vectorized hnd_cosmo_lib.F:485:0: note: loop versioned for vectorization because of possible aliasing hnd_cosmo_lib.F:477:0: note: loop vectorized hnd_cosmo_lib.F:657:0: 1 +xyzseg(i,iseg)*ratm_real ^ Warning: 'ratm_real' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_cosmo_lib.F:1563:0: note: loop vectorized hnd_cosmo_lib.F:1552:0: note: loop vectorized hnd_cosmo_lib.F:1541:0: note: loop vectorized hnd_cosmo_lib.F:1530:0: note: loop vectorized hnd_cosmo_lib.F:1466:0: note: loop vectorized hnd_cosmo_lib.F:1323:0: note: loop vectorized hnd_cosmo_lib.F:1309:0: note: loop vectorized hnd_cosmo_lib.F:1412:0: note: loop vectorized hnd_cosmo_lib.F:1398:0: note: loop vectorized hnd_cosmo_lib.F:1154:0: note: loop vectorized hnd_cosmo_lib.F:1154:0: note: loop versioned for vectorization because of possible aliasing hnd_cosmo_lib.F:1323:0: note: loop vectorized hnd_cosmo_lib.F:1309:0: note: loop vectorized hnd_cosmo_lib.F:245:0: note: loop vectorized hnd_cosmo_lib.F:245:0: note: loop vectorized hnd_cosmo_lib.F:2855:0: note: loop vectorized hnd_cosmo_lib.F:2855:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2846:0: note: loop vectorized hnd_cosmo_lib.F:2846:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2830:0: note: loop vectorized hnd_cosmo_lib.F:2830:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2708:0: note: loop vectorized hnd_cosmo_lib.F:2708:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2649:0: note: loop vectorized hnd_cosmo_lib.F:2649:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2628:0: note: loop vectorized hnd_cosmo_lib.F:2628:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2614:0: note: loop vectorized hnd_cosmo_lib.F:2614:0: note: loop versioned for vectorization because of possible aliasing hnd_cosmo_lib.F:2614:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2601:0: note: loop vectorized hnd_cosmo_lib.F:2601:0: note: loop versioned for vectorization because of possible aliasing hnd_cosmo_lib.F:2601:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2593:0: note: loop vectorized hnd_cosmo_lib.F:2593:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2584:0: note: loop vectorized hnd_cosmo_lib.F:2584:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2567:0: note: loop vectorized hnd_cosmo_lib.F:2567:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2446:0: note: loop vectorized hnd_cosmo_lib.F:2446:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2430:0: note: loop vectorized hnd_cosmo_lib.F:2430:0: note: loop versioned for vectorization because of possible aliasing hnd_cosmo_lib.F:2430:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2545:0: note: loop vectorized hnd_cosmo_lib.F:2545:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2285:0: note: loop vectorized hnd_cosmo_lib.F:2285:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2431:0: x(ief+ieq-1)=x(ief+iep-1) ^ Warning: 'ieq' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_cosmo_lib.F:2431:0: Warning: 'iep' may be used uninitialized in this function [-Wmaybe-uninitialized] make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libsolvation.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o hnd_cosmo_lib.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libsolvation.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libsolvation.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libsolvation.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/solvation' Making libraries in nwpw make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_default.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_vectors_input.F Making all in nwpwlib make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib' Making all in Parallel make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 Parallel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 Parallel-mpi.F Parallel-mpi.F:201:48: call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:212:48: call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:378:48: call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:392:48: call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:405:48: call stupid_icopy8to4(np_k,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:783:34: call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:788:30: call stupid_icopy4to8(n,int_mb(sumall(1)),sum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:973:42: call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:976:37: call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1063:37: call stupid_icopy8to4(nreq,req,int_mb(request2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1403:34: call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1408:30: call stupid_icopy4to8(n,int_mb(sumall(1)),sum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1609:42: call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1612:37: call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1984:39: call stupid_icopy8to4(nsize,ival,int_mb(ival4(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2123:34: call stupid_icopy4to8(nsize,int_mb(ival4(1)),ival) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1015:0: note: loop vectorized Parallel-mpi.F:1015:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:198:0: note: loop vectorized Parallel-mpi.F:198:0: note: loop versioned for vectorization because of possible aliasing Parallel-mpi.F:198:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:372:0: note: loop vectorized Parallel-mpi.F:372:0: note: loop versioned for vectorization because of possible aliasing Parallel-mpi.F:372:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1015:0: note: loop vectorized Parallel-mpi.F:1015:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1015:0: note: loop vectorized Parallel-mpi.F:1015:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1015:0: note: loop vectorized Parallel-mpi.F:1015:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1015:0: note: loop vectorized Parallel-mpi.F:1015:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1015:0: note: loop vectorized Parallel-mpi.F:1015:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a Parallel.o Parallel-mpi.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Parallel' Making all in D1dB make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 D1dB.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 Dne.F Dne.F:5481:0: note: loop vectorized Dne.F:5481:0: note: loop peeled for vectorization to enhance alignment Dne.F:5183:0: note: loop vectorized Dne.F:5183:0: note: loop peeled for vectorization to enhance alignment Dne.F:127:0: note: loop vectorized Dne.F:127:0: note: loop peeled for vectorization to enhance alignment Dne.F:416:0: note: basic block vectorized Dne.F:434:0: note: basic block vectorized Dne.F:1770:0: note: loop vectorized Dne.F:1770:0: note: loop peeled for vectorization to enhance alignment Dne.F:1973:0: note: loop vectorized Dne.F:1973:0: note: loop peeled for vectorization to enhance alignment Dne.F:2092:0: note: loop vectorized Dne.F:2092:0: note: loop peeled for vectorization to enhance alignment Dne.F:2193:0: note: loop vectorized Dne.F:2193:0: note: loop peeled for vectorization to enhance alignment Dne.F:2402:0: note: loop vectorized Dne.F:2402:0: note: loop peeled for vectorization to enhance alignment Dne.F:2501:0: note: loop vectorized Dne.F:2501:0: note: loop peeled for vectorization to enhance alignment Dne.F:2598:0: note: loop vectorized Dne.F:2598:0: note: loop peeled for vectorization to enhance alignment Dne.F:2912:0: note: loop vectorized Dne.F:2912:0: note: loop peeled for vectorization to enhance alignment Dne.F:2903:0: note: loop vectorized Dne.F:2903:0: note: loop peeled for vectorization to enhance alignment Dne.F:2943:0: note: loop vectorized Dne.F:2943:0: note: loop peeled for vectorization to enhance alignment Dne.F:2934:0: note: loop vectorized Dne.F:2934:0: note: loop peeled for vectorization to enhance alignment Dne.F:2974:0: note: loop vectorized Dne.F:2974:0: note: loop peeled for vectorization to enhance alignment Dne.F:4073:0: note: loop vectorized Dne.F:4073:0: note: loop peeled for vectorization to enhance alignment Dne.F:4154:0: note: loop vectorized Dne.F:4154:0: note: loop peeled for vectorization to enhance alignment Dne.F:4237:0: note: loop vectorized Dne.F:4237:0: note: loop peeled for vectorization to enhance alignment Dne.F:4319:0: note: loop vectorized Dne.F:4319:0: note: loop peeled for vectorization to enhance alignment Dne.F:5481:0: note: loop vectorized Dne.F:5481:0: note: loop peeled for vectorization to enhance alignment Dne.F:7482:0: note: loop vectorized Dne.F:7558:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 Dnex.F Dnex.F:90:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 skew.F skew.F:586:0: note: loop vectorized skew.F:586:0: note: loop peeled for vectorization to enhance alignment skew.F:580:0: note: loop vectorized skew.F:580:0: note: loop peeled for vectorization to enhance alignment skew.F:222:0: note: loop vectorized skew.F:222:0: note: loop peeled for vectorization to enhance alignment skew.F:186:0: note: loop vectorized skew.F:55:0: note: loop vectorized skew.F:55:0: note: loop peeled for vectorization to enhance alignment skew.F:115:0: note: loop vectorized skew.F:115:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 D1dB-mpi.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o D1dB-mpi.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D1dB' Making all in D3dB make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 D3dB-new.F D3dB-new.F:1658:47: call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1667:47: call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1766:43: call cshift1_fftb(nx(nb),nq1(nb),1,1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1775:43: call zeroend_fftb(nx(nb),nq1(nb),1,1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2239:46: call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2407:42: call cshift_fftf(nx(nb),nq1(nb),1,1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2552:0: note: loop vectorized D3dB-new.F:2552:0: note: loop versioned for vectorization because of possible aliasing D3dB-new.F:2552:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:2552:0: note: loop vectorized D3dB-new.F:2552:0: note: loop versioned for vectorization because of possible aliasing D3dB-new.F:2552:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:2552:0: note: loop vectorized D3dB-new.F:2552:0: note: loop versioned for vectorization because of possible aliasing D3dB-new.F:2552:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:2821:0: note: loop vectorized D3dB-new.F:2838:0: note: loop vectorized D3dB-new.F:2857:0: note: loop vectorized D3dB-new.F:2857:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:2873:0: note: loop vectorized D3dB-new.F:2873:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:2892:0: note: loop vectorized D3dB-new.F:2892:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:2996:0: note: loop vectorized D3dB-new.F:2996:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3020:0: note: loop vectorized D3dB-new.F:3020:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3044:0: note: loop vectorized D3dB-new.F:3044:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3067:0: note: loop vectorized D3dB-new.F:3067:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3090:0: note: loop vectorized D3dB-new.F:3090:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3113:0: note: loop vectorized D3dB-new.F:3113:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3438:0: note: loop vectorized D3dB-new.F:3438:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3462:0: note: loop vectorized D3dB-new.F:3462:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3526:0: note: loop vectorized D3dB-new.F:3526:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3551:0: note: loop vectorized D3dB-new.F:3551:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3606:0: note: loop vectorized D3dB-new.F:3606:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3640:0: note: loop vectorized D3dB-new.F:3640:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3844:0: note: loop vectorized D3dB-new.F:3844:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4086:0: note: loop vectorized D3dB-new.F:4086:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3893:0: note: loop vectorized D3dB-new.F:3917:0: note: loop vectorized D3dB-new.F:3942:0: note: loop vectorized D3dB-new.F:3942:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3965:0: note: loop vectorized D3dB-new.F:3965:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3989:0: note: loop vectorized D3dB-new.F:4362:0: note: loop vectorized D3dB-new.F:4362:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4063:0: note: loop vectorized D3dB-new.F:4063:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4086:0: note: loop vectorized D3dB-new.F:4086:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4111:0: note: loop vectorized D3dB-new.F:4111:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4163:0: note: loop vectorized D3dB-new.F:4187:0: note: loop vectorized D3dB-new.F:4187:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4295:0: note: loop vectorized D3dB-new.F:4295:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4316:0: note: loop vectorized D3dB-new.F:4316:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4362:0: note: loop vectorized D3dB-new.F:4362:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4506:0: note: loop vectorized D3dB-new.F:4506:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4550:0: note: loop vectorized D3dB-new.F:4550:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4573:0: note: loop vectorized D3dB-new.F:4573:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 generate_map_indexes.F generate_map_indexes.F:114:0: note: loop vectorized generate_map_indexes.F:114:0: note: loop versioned for vectorization because of possible aliasing generate_map_indexes.F:114:0: note: loop peeled for vectorization to enhance alignment cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 -O3 -funroll-loops -ffast-math -O1 -o hilbert.o hilbert.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 -O3 -funroll-loops -ffast-math -O1 -o hcurve.o hcurve.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 -O3 -funroll-loops -ffast-math -O1 -o olist.o olist.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 trans.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 D3dB_pfft.F D3dB_pfft.F:141:0: note: loop vectorized D3dB_pfft.F:141:0: note: loop peeled for vectorization to enhance alignment D3dB_pfft.F:97:0: note: loop vectorized D3dB_pfft.F:97:0: note: loop peeled for vectorization to enhance alignment D3dB_pfft.F:94:0: note: loop vectorized D3dB_pfft.F:94:0: note: loop peeled for vectorization to enhance alignment D3dB_pfft.F:267:0: note: loop vectorized D3dB_pfft.F:267:0: note: loop peeled for vectorization to enhance alignment D3dB_pfft.F:227:0: note: loop vectorized D3dB_pfft.F:227:0: note: loop peeled for vectorization to enhance alignment D3dB_pfft.F:224:0: note: loop vectorized D3dB_pfft.F:224:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 D3dB-mpi.F D3dB-mpi.F:3798:32: > dcpl_mb(tmp1(1)), 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4038:32: > dcpl_mb(tmp1(1)), 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:5059:34: > dcpl_mb(tmp1(1)), 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:626:0: integer i,nnfft3d ^ Warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] D3dB-mpi.F:418:0: integer i,nnfft3d ^ Warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] D3dB-mpi.F:263:0: note: basic block vectorized make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a D3dB-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dB-mpi.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/D3dB' Making all in Pneb make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Pneb.F Pneb.F:1986:31: > dbl_mb(a_shift), 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1990:48: call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1992:31: > dbl_mb(a_shift), 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2422:29: > dbl_mb(y1_shift), 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3477:33: > dbl_mb(Y_shift), 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:227:0: note: basic block vectorized Pneb.F:262:0: note: basic block vectorized Pneb.F:1646:0: note: loop vectorized Pneb.F:1646:0: note: loop peeled for vectorization to enhance alignment Pneb.F:1611:0: note: loop vectorized Pneb.F:1611:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a Pneb.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/Pneb' Making all in K1dB make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 K1dB.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 K1dB-mpi.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a K1dB.o K1dB-mpi.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/K1dB' Making all in C3dB make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 C3dB-new.F C3dB-new.F:1453:0: note: loop vectorized C3dB-new.F:1470:0: note: loop vectorized C3dB-new.F:1484:0: note: loop vectorized C3dB-new.F:1503:0: note: loop vectorized C3dB-new.F:1503:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:1519:0: note: loop vectorized C3dB-new.F:1519:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:1589:0: note: loop vectorized C3dB-new.F:1724:0: note: loop vectorized C3dB-new.F:1724:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:1746:0: note: loop vectorized C3dB-new.F:1746:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2468:0: note: loop vectorized C3dB-new.F:2468:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2491:0: note: loop vectorized C3dB-new.F:2491:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2517:0: note: loop vectorized C3dB-new.F:2541:0: note: loop vectorized C3dB-new.F:2559:0: note: loop vectorized C3dB-new.F:2635:0: note: loop vectorized C3dB-new.F:2635:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2659:0: note: loop vectorized C3dB-new.F:2659:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2710:0: note: loop vectorized C3dB-new.F:2727:0: note: loop vectorized C3dB-new.F:2753:0: note: loop vectorized C3dB-new.F:2956:0: note: loop vectorized C3dB-new.F:2956:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2831:0: note: loop vectorized C3dB-new.F:2855:0: note: loop vectorized C3dB-new.F:2855:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2908:0: note: loop vectorized C3dB-new.F:2908:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2956:0: note: loop vectorized C3dB-new.F:2956:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2987:0: note: loop vectorized C3dB-new.F:2987:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:3031:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 c_trans.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 C3dB_pfft.F C3dB_pfft.F:162:0: note: loop vectorized C3dB_pfft.F:162:0: note: loop peeled for vectorization to enhance alignment C3dB_pfft.F:97:0: note: loop vectorized C3dB_pfft.F:97:0: note: loop peeled for vectorization to enhance alignment C3dB_pfft.F:94:0: note: loop vectorized C3dB_pfft.F:94:0: note: loop peeled for vectorization to enhance alignment C3dB_pfft.F:327:0: note: loop vectorized C3dB_pfft.F:327:0: note: loop peeled for vectorization to enhance alignment C3dB_pfft.F:267:0: note: loop vectorized C3dB_pfft.F:267:0: note: loop peeled for vectorization to enhance alignment C3dB_pfft.F:264:0: note: loop vectorized C3dB_pfft.F:264:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 C3dB-mpi.F C3dB-mpi.F:2891:32: > dcpl_mb(tmp1(1)), 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:433:0: integer i,nnfft3d ^ Warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] C3dB-mpi.F:617:0: integer i,nnfft3d ^ Warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/C3dB' Making all in DMatrix make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 DMatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 DMatrix-mpi.F DMatrix-mpi.F:900:0: note: loop vectorized DMatrix-mpi.F:900:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:106:0: note: loop vectorized DMatrix-mpi.F:106:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:84:0: note: loop vectorized DMatrix-mpi.F:84:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:80:0: note: loop vectorized DMatrix-mpi.F:80:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:328:0: note: loop vectorized DMatrix-mpi.F:328:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:284:0: note: loop vectorized DMatrix-mpi.F:284:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:267:0: note: loop vectorized DMatrix-mpi.F:267:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:615:0: note: loop vectorized DMatrix-mpi.F:615:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:748:0: note: loop vectorized DMatrix-mpi.F:748:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:1115:0: note: loop vectorized DMatrix-mpi.F:1115:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:1109:0: note: loop vectorized DMatrix-mpi.F:1109:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:1381:0: note: loop vectorized DMatrix-mpi.F:1336:0: note: loop vectorized DMatrix-mpi.F:1627:0: note: loop vectorized DMatrix-mpi.F:1627:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:1575:0: note: loop vectorized DMatrix-mpi.F:1575:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:1951:0: note: loop vectorized DMatrix-mpi.F:1951:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:1947:0: integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 ^ Warning: 'shft3' may be used uninitialized in this function [-Wmaybe-uninitialized] DMatrix-mpi.F:1947:0: Warning: 'shft2' may be used uninitialized in this function [-Wmaybe-uninitialized] DMatrix-mpi.F:2366:0: note: loop vectorized DMatrix-mpi.F:2321:0: note: loop vectorized DMatrix-mpi.F:2300:0: note: loop vectorized DMatrix-mpi.F:2300:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:2264:0: note: loop vectorized DMatrix-mpi.F:2264:0: note: loop versioned for vectorization because of possible aliasing DMatrix-mpi.F:2264:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:2250:0: note: loop vectorized DMatrix-mpi.F:2250:0: note: loop versioned for vectorization because of possible aliasing DMatrix-mpi.F:2250:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a DMatrix.o DMatrix-mpi.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' Making all in CMatrix make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 CMatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 CMatrix-mpi.F CMatrix-mpi.F:94:0: note: loop vectorized CMatrix-mpi.F:84:0: note: loop vectorized CMatrix-mpi.F:84:0: note: loop peeled for vectorization to enhance alignment CMatrix-mpi.F:80:0: note: loop vectorized CMatrix-mpi.F:80:0: note: loop peeled for vectorization to enhance alignment CMatrix-mpi.F:299:0: note: loop vectorized CMatrix-mpi.F:287:0: note: loop vectorized CMatrix-mpi.F:284:0: note: loop vectorized CMatrix-mpi.F:284:0: note: loop peeled for vectorization to enhance alignment CMatrix-mpi.F:314:0: note: loop vectorized CMatrix-mpi.F:267:0: note: loop vectorized CMatrix-mpi.F:267:0: note: loop peeled for vectorization to enhance alignment CMatrix-mpi.F:1116:0: note: loop vectorized CMatrix-mpi.F:1110:0: note: loop vectorized CMatrix-mpi.F:1230:0: note: basic block vectorized CMatrix-mpi.F:1537:0: note: loop vectorized CMatrix-mpi.F:1537:0: note: loop peeled for vectorization to enhance alignment CMatrix-mpi.F:1485:0: note: loop vectorized CMatrix-mpi.F:1485:0: note: loop peeled for vectorization to enhance alignment CMatrix-mpi.F:1857:0: integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 ^ Warning: 'shft3' may be used uninitialized in this function [-Wmaybe-uninitialized] CMatrix-mpi.F:1857:0: Warning: 'shft2' may be used uninitialized in this function [-Wmaybe-uninitialized] make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a CMatrix.o CMatrix-mpi.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' Making all in control make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG control.F control.F:4294:0: note: basic block vectorized control.F:3151:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_get_ne.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_get_version.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_get_header.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_get_header.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_psp_type.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o get_psp_type.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/control' Making all in lattice make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec lattice.f lattice.f:202:0: note: loop vectorized lattice.f:191:0: note: loop vectorized lattice.f:179:0: note: loop vectorized lattice.f:168:0: note: loop vectorized lattice.f:156:0: note: loop vectorized lattice.f:145:0: note: loop vectorized lattice.f:315:0: note: loop vectorized lattice.f:300:0: note: loop vectorized lattice.f:284:0: note: loop vectorized lattice.f:269:0: note: loop vectorized lattice.f:253:0: note: loop vectorized lattice.f:238:0: note: loop vectorized lattice.f:453:0: note: loop vectorized lattice.f:434:0: note: loop vectorized lattice.f:414:0: note: loop vectorized lattice.f:395:0: note: loop vectorized lattice.f:375:0: note: loop vectorized lattice.f:356:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mask_init.F mask_init.F:71:0: note: loop vectorized mask_init.F:71:0: note: loop peeled for vectorization to enhance alignment mask_init.F:71:0: note: loop vectorized mask_init.F:71:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pack.F pack.F:156:0: note: basic block vectorized pack.F:161:0: note: basic block vectorized pack.F:164:0: note: basic block vectorized pack.F:1161:0: note: loop vectorized pack.F:1237:0: note: loop vectorized pack.F:1234:0: note: loop vectorized pack.F:1549:0: note: loop vectorized pack.F:1579:0: note: loop vectorized pack.F:1608:0: note: loop vectorized pack.F:1608:0: note: loop peeled for vectorization to enhance alignment pack.F:1637:0: note: loop vectorized pack.F:1637:0: note: loop peeled for vectorization to enhance alignment pack.F:1668:0: note: loop vectorized pack.F:1697:0: note: loop vectorized pack.F:1728:0: note: loop vectorized pack.F:1728:0: note: loop peeled for vectorization to enhance alignment pack.F:1755:0: note: loop vectorized pack.F:1755:0: note: loop peeled for vectorization to enhance alignment pack.F:1782:0: note: loop vectorized pack.F:1782:0: note: loop peeled for vectorization to enhance alignment pack.F:1841:0: note: loop vectorized pack.F:1869:0: note: loop vectorized pack.F:1930:0: note: loop vectorized pack.F:1930:0: note: loop peeled for vectorization to enhance alignment pack.F:1958:0: note: loop vectorized pack.F:1958:0: note: loop peeled for vectorization to enhance alignment pack.F:2609:0: note: loop vectorized pack.F:2609:0: note: loop peeled for vectorization to enhance alignment pack.F:2638:0: note: loop vectorized pack.F:2638:0: note: loop peeled for vectorization to enhance alignment pack.F:2667:0: note: loop vectorized pack.F:2667:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cloak.F cloak.F:85:0: note: loop vectorized cloak.F:85:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cram.F cram.F:993:0: note: loop vectorized cram.F:1001:0: note: loop vectorized cram.F:83:0: note: basic block vectorized cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized cram.F:1446:0: note: loop vectorized cram.F:1472:0: note: loop vectorized cram.F:1499:0: note: loop vectorized cram.F:1499:0: note: loop peeled for vectorization to enhance alignment cram.F:1526:0: note: loop vectorized cram.F:1526:0: note: loop peeled for vectorization to enhance alignment cram.F:1553:0: note: loop vectorized cram.F:1579:0: note: loop vectorized cram.F:1579:0: note: loop peeled for vectorization to enhance alignment cram.F:1604:0: note: loop vectorized cram.F:1604:0: note: loop peeled for vectorization to enhance alignment cram.F:1629:0: note: loop vectorized cram.F:1629:0: note: loop peeled for vectorization to enhance alignment cram.F:1684:0: note: loop vectorized cram.F:1711:0: note: loop vectorized cram.F:1769:0: note: loop vectorized cram.F:1769:0: note: loop peeled for vectorization to enhance alignment cram.F:1795:0: note: loop vectorized cram.F:1795:0: note: loop peeled for vectorization to enhance alignment cram.F:1846:0: note: loop vectorized cram.F:1846:0: note: loop peeled for vectorization to enhance alignment cram.F:2144:0: note: loop vectorized cram.F:2144:0: note: loop peeled for vectorization to enhance alignment cram.F:2169:0: note: loop vectorized cram.F:2169:0: note: loop peeled for vectorization to enhance alignment cram.F:2201:0: note: loop vectorized cram.F:2231:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG balance.F balance.F:230:0: note: loop vectorized balance.F:230:0: note: loop peeled for vectorization to enhance alignment balance.F:75:0: note: basic block vectorized balance.F:81:0: note: basic block vectorized balance.F:87:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_balance.F c_balance.F:226:0: note: loop vectorized c_balance.F:226:0: note: loop peeled for vectorization to enhance alignment c_balance.F:75:0: note: basic block vectorized c_balance.F:81:0: note: basic block vectorized c_balance.F:87:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG G_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_G_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG strfac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cstrfac.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/lattice' Making all in io make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o compressed_io.o compressed_io.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_message.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG second.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a compressed_io.o nwpw_message.o second.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/io' Making all in ion make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec center.f center.f:202:0: note: loop vectorized center.f:256:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ion_FixIon.F ion_FixIon.F:212:0: note: loop vectorized ion_FixIon.F:212:0: note: loop versioned for vectorization because of possible aliasing ion_FixIon.F:212:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec incell1.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec incell2.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec incell3.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec unfold.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ion.F ion.F:3933:0: note: loop vectorized ion.F:3933:0: note: loop peeled for vectorization to enhance alignment ion.F:2514:0: note: loop vectorized ion.F:2139:0: note: loop vectorized ion.F:1687:0: note: loop vectorized ion.F:4197:0: note: loop vectorized ion.F:4197:0: note: loop peeled for vectorization to enhance alignment ion.F:4118:0: note: loop vectorized ion.F:4118:0: note: loop versioned for vectorization because of possible aliasing ion.F:4118:0: note: loop peeled for vectorization to enhance alignment ion.F:185:0: note: basic block vectorized ion.F:185:0: note: basic block vectorized ion.F:185:0: note: basic block vectorized ion.F:1106:0: note: loop vectorized ion.F:1088:0: note: loop vectorized ion.F:1088:0: note: loop peeled for vectorization to enhance alignment ion.F:1051:0: note: loop vectorized ion.F:1687:0: note: loop vectorized ion.F:2514:0: note: loop vectorized ion.F:2514:0: note: loop vectorized ion.F:3933:0: note: loop vectorized ion.F:3933:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG katm_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec fcoord.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG seperate_molpsp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG seperate_pointcharge.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ion_scaling_atoms.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' Making all in shake make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shake_chain.F shake_chain.F:160:0: note: loop vectorized shake_chain.F:160:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shake_chain2.F shake_chain2.F:106:0: note: loop vectorized shake_chain2.F:106:0: note: loop peeled for vectorization to enhance alignment shake_chain2.F:27:0: note: loop vectorized shake_chain2.F:27:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shake_chain3.F shake_chain3.F:105:0: note: loop vectorized shake_chain3.F:105:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shake_bonddiff.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shake_analysis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG molecular.F molecular.F:273:0: note: loop vectorized cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o pspw_molecule.o pspw_molecule.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o pspw_atom.o pspw_atom.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o pspw_bond.o pspw_bond.c make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' Making all in grimme_sh make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwxc_vdw3d_sh.F make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwxc_vdw3a_sh.F nwxc_vdw3a_sh.F:2174:0: note: loop vectorized nwxc_vdw3a_sh.F:2174:0: note: loop peeled for vectorization to enhance alignment nwxc_vdw3a_sh.F:2042:0: note: loop vectorized nwxc_vdw3a_sh.F:2042:0: note: loop peeled for vectorization to enhance alignment nwxc_vdw3a_sh.F:1646:0: note: basic block vectorized nwxc_vdw3a_sh.F:1738:0: edisp=-(e6+e8) ^ Warning: 'e6' may be used uninitialized in this function [-Wmaybe-uninitialized] nwxc_vdw3a_sh.F:837:0: note: loop vectorized nwxc_vdw3a_sh.F:557:0: note: loop vectorized nwxc_vdw3a_sh.F:555:0: note: loop vectorized nwxc_vdw3a_sh.F:453:0: if(maxc6.and.k.lt.1)then ^ Warning: 'k' may be used uninitialized in this function [-Wmaybe-uninitialized] nwxc_vdw3a_sh.F:450:0: if(minc6.and.j.lt.1)then ^ Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] nwxc_vdw3a_sh.F:2547:0: note: loop vectorized nwxc_vdw3a_sh.F:2547:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwxc_vdw3b_sh.F nwxc_vdw3b_sh.F:850:0: note: loop vectorized nwxc_vdw3b_sh.F:850:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwxc_vdw3c_sh.F nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2675:0: note: loop vectorized nwxc_vdw3c_sh.F:2692:0: note: loop vectorized nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2692:0: note: loop vectorized nwxc_vdw3c_sh.F:1558:0: note: loop vectorized nwxc_vdw3c_sh.F:1558:0: note: loop versioned for vectorization because of possible aliasing nwxc_vdw3c_sh.F:1558:0: note: loop peeled for vectorization to enhance alignment nwxc_vdw3c_sh.F:2001:0: note: loop vectorized nwxc_vdw3c_sh.F:2001:0: note: loop versioned for vectorization because of possible aliasing nwxc_vdw3c_sh.F:2001:0: note: loop peeled for vectorization to enhance alignment nwxc_vdw3c_sh.F:2327:0: edisp=-(e6+e8) ^ Warning: 'e6' may be used uninitialized in this function [-Wmaybe-uninitialized] nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2692:0: note: loop vectorized make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a nwxc_vdw3d_sh.o nwxc_vdw3a_sh.o nwxc_vdw3b_sh.o nwxc_vdw3c_sh.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ion' Making all in pseudopotential make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_generator_input.F cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o pspsolve.o pspsolve.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o hgh_parse.o hgh_parse.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o cpi_parse.o cpi_parse.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o teter_parse.o teter_parse.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o carter_parse.o carter_parse.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o qmmm_parse.o qmmm_parse.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o get_word.o get_word.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o name.o name.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o loggrid.o loggrid.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o pred_cor.o pred_cor.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o spline.o spline.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o grids.o grids.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o atom.o atom.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o schrodin.o schrodin.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o pauli.o pauli.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o dirac.o dirac.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o zora.o zora.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o dft.o dft.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o hartree.o hartree.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o dirac_exchange.o dirac_exchange.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o perdew_wang.o perdew_wang.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o perdew_zunger.o perdew_zunger.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o vosko.o vosko.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o pbe_exchange.o pbe_exchange.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o pbe_correlation.o pbe_correlation.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o revpbe_exchange.o revpbe_exchange.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o revpbe_correlation.o revpbe_correlation.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o becke_exchange.o becke_exchange.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o lyp_correlation2.o lyp_correlation2.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o hamann.o hamann.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o troullier.o troullier.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o xpansion.o xpansion.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o gaussj.o gaussj.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o vanderbilt.o vanderbilt.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o xpansion2.o xpansion2.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o psp1d.o psp1d.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o generate_rho_semicore.o generate_rho_semicore.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o debug.o debug.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o rhamann.o rhamann.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o rtroullier.o rtroullier.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o rpsp.o rpsp.c Making all in paw_atom make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_atom_driver.o paw_atom_driver.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_atom.o paw_atom.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_basis.o paw_basis.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_scattering.o paw_scattering.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_schrodin.o paw_schrodin.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_pauli.o paw_pauli.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_orbitals.o paw_orbitals.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_kinetic_energy.o paw_kinetic_energy.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_potential.o paw_potential.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_dirac_exchange.o paw_dirac_exchange.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_vosko.o paw_vosko.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_hartree.o paw_hartree.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_core.o paw_core.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_comp_charge.o paw_comp_charge.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_ion.o paw_ion.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_matrix_elements.o paw_matrix_elements.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_pred_cor.o paw_pred_cor.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_loggrid.o paw_loggrid.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_bisect.o paw_bisect.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_error_function.o paw_error_function.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_get_inverse.o paw_get_inverse.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_my_constants.o paw_my_constants.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_utilities.o paw_utilities.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_output.o paw_output.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_sdir.o paw_sdir.c cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_my_memory.o paw_my_memory.c make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation2.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' Making all in utilities make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_filefind.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_scratch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_list.F nwpw_list.F:157:0: note: loop vectorized nwpw_list.F:157:0: note: loop versioned for vectorization because of possible aliasing nwpw_list.F:157:0: note: loop peeled for vectorization to enhance alignment nwpw_list.F:182:0: note: loop vectorized nwpw_list.F:182:0: note: loop versioned for vectorization because of possible aliasing nwpw_list.F:182:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_scf_mixing.F nwpw_scf_mixing.F:360:0: note: loop vectorized nwpw_scf_mixing.F:360:0: note: loop versioned for vectorization because of possible aliasing nwpw_scf_mixing.F:335:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_spline.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_interp.F nwpw_interp.F:229:0: note: loop vectorized nwpw_interp.F:339:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kerker_G.F kerker_G.F:60:0: note: loop vectorized kerker_G.F:60:0: note: loop versioned for vectorization because of possible aliasing kerker_G.F:60:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpmd_properties.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_rdf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pair_dist.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pair_dist2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pair_distab.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG auto_corr.F auto_corr.F:225:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG generate_unfolded_xyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec matrix.f matrix.f:169:0: note: loop vectorized matrix.f:169:0: note: loop versioned for vectorization because of possible aliasing matrix.f:169:0: note: loop peeled for vectorization to enhance alignment matrix.f:253:0: note: loop vectorized matrix.f:253:0: note: loop versioned for vectorization because of possible aliasing matrix.f:253:0: note: loop peeled for vectorization to enhance alignment matrix.f:250:0: note: loop vectorized matrix.f:250:0: note: loop peeled for vectorization to enhance alignment matrix.f:220:0: note: loop vectorized matrix.f:220:0: note: loop peeled for vectorization to enhance alignment matrix.f:197:0: note: loop vectorized matrix.f:68:0: note: loop vectorized matrix.f:68:0: note: loop versioned for vectorization because of possible aliasing matrix.f:68:0: note: loop peeled for vectorization to enhance alignment matrix.f:68:0: note: loop vectorized matrix.f:68:0: note: loop versioned for vectorization because of possible aliasing matrix.f:68:0: note: loop peeled for vectorization to enhance alignment matrix.f:85:0: note: loop vectorized matrix.f:85:0: note: loop peeled for vectorization to enhance alignment matrix.f:110:0: note: loop vectorized matrix.f:110:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG simp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG is_sORd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_filefind.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_psi_filefind.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG getfilling.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG CIF_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG densityofstates.F densityofstates.F:82:0: note: loop vectorized densityofstates.F:82:0: note: loop peeled for vectorization to enhance alignment densityofstates.F:112:0: note: loop vectorized densityofstates.F:112:0: note: loop peeled for vectorization to enhance alignment densityofstates.F:253:0: note: loop vectorized densityofstates.F:253:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG MOTION_nframes.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG spdf_name.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cell.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cellgeometry.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_data.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_data.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG butter.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG print_elapsed_time.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG log_integrate.F log_integrate.F:427:0: note: loop vectorized log_integrate.F:427:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:60:0: note: loop vectorized log_integrate.F:60:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:185:0: note: loop vectorized log_integrate.F:185:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:132:0: note: loop vectorized log_integrate.F:132:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:427:0: note: loop vectorized log_integrate.F:427:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:331:0: note: loop vectorized log_integrate.F:331:0: note: loop versioned for vectorization because of possible aliasing log_integrate.F:331:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:327:0: note: loop vectorized log_integrate.F:327:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:317:0: note: loop vectorized log_integrate.F:317:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:312:0: note: loop vectorized log_integrate.F:312:0: note: loop versioned for vectorization because of possible aliasing log_integrate.F:312:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:305:0: note: loop vectorized log_integrate.F:305:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:427:0: note: loop vectorized log_integrate.F:427:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:371:0: note: loop vectorized log_integrate.F:371:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_parse.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_matrix_invert.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG analysis_expansion_coef.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_double_factorial.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_kbpp_ray.F cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o nwpw_talker.o nwpw_talker.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_expression.F cc -c -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o nwpw_emachine.o nwpw_emachine.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG BA_memory.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG btdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG beom.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' Making all in paw_utilities make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_gaunt.F nwpw_gaunt.F:1296:0: real*8 r,cos_theta,phi,coeff ^ Warning: 'coeff' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_gaunt.F:1297:0: complex*16 ctmp ^ Warning: 'IMAGPART_EXPR <ctmp>' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_gaunt.F:1297:0: Warning: 'REALPART_EXPR <ctmp>' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_compcharge.F nwpw_compcharge.F:4614:0: note: loop vectorized nwpw_compcharge.F:4614:0: note: loop versioned for vectorization because of possible aliasing nwpw_compcharge.F:4614:0: note: loop peeled for vectorization to enhance alignment nwpw_compcharge.F:277:0: note: loop vectorized nwpw_compcharge.F:277:0: note: loop versioned for vectorization because of possible aliasing nwpw_compcharge.F:277:0: note: loop peeled for vectorization to enhance alignment nwpw_compcharge.F:1186:0: call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) ^ Warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:1185:0: call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) ^ Warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:1184:0: call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) ^ Warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:1324:0: note: loop vectorized nwpw_compcharge.F:1324:0: note: loop peeled for vectorization to enhance alignment nwpw_compcharge.F:1388:0: note: loop vectorized nwpw_compcharge.F:1388:0: note: loop peeled for vectorization to enhance alignment nwpw_compcharge.F:3988:0: call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) ^ Warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:3987:0: call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) ^ Warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:3986:0: call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) ^ Warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4213:0: call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(glmvcmp(1)),e1z) ^ Warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4212:0: call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(glmvcmp(1)),e1y) ^ Warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4211:0: call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(glmvcmp(1)),e1x) ^ Warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4614:0: note: loop vectorized nwpw_compcharge.F:4614:0: note: loop versioned for vectorization because of possible aliasing nwpw_compcharge.F:4614:0: note: loop peeled for vectorization to enhance alignment nwpw_compcharge.F:4864:0: call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) ^ Warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4863:0: call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) ^ Warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4862:0: call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) ^ Warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_xc.F nwpw_xc.F:1785:0: note: loop vectorized nwpw_xc.F:1785:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1399:0: note: loop vectorized nwpw_xc.F:1399:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1376:0: note: loop vectorized nwpw_xc.F:1376:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1342:0: note: loop vectorized nwpw_xc.F:1342:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1718:0: note: loop vectorized nwpw_xc.F:1718:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1010:0: note: loop vectorized nwpw_xc.F:1010:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:966:0: note: loop vectorized nwpw_xc.F:966:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1285:0: note: loop vectorized nwpw_xc.F:1285:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1230:0: note: loop vectorized nwpw_xc.F:1230:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1239:0: note: loop vectorized nwpw_xc.F:1239:0: note: loop versioned for vectorization because of possible aliasing nwpw_xc.F:1239:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1168:0: note: loop vectorized nwpw_xc.F:1168:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1160:0: note: loop vectorized nwpw_xc.F:1160:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1189:0: note: loop vectorized nwpw_xc.F:1189:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1179:0: note: loop vectorized nwpw_xc.F:1179:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:934:0: note: loop vectorized nwpw_xc.F:934:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:913:0: note: loop vectorized nwpw_xc.F:913:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:934:0: note: loop vectorized nwpw_xc.F:934:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:913:0: note: loop vectorized nwpw_xc.F:913:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:913:0: note: loop vectorized nwpw_xc.F:913:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:934:0: note: loop vectorized nwpw_xc.F:934:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:913:0: note: loop vectorized nwpw_xc.F:913:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1053:0: note: loop vectorized nwpw_xc.F:1053:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:913:0: note: loop vectorized nwpw_xc.F:913:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1661:0: note: loop vectorized nwpw_xc.F:1661:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1661:0: note: loop vectorized nwpw_xc.F:1661:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1622:0: note: loop vectorized nwpw_xc.F:1622:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1661:0: note: loop vectorized nwpw_xc.F:1661:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1555:0: note: loop vectorized nwpw_xc.F:1555:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1555:0: note: loop vectorized nwpw_xc.F:1555:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1522:0: note: loop vectorized nwpw_xc.F:1522:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1555:0: note: loop vectorized nwpw_xc.F:1555:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:674:0: note: loop vectorized nwpw_xc.F:674:0: note: loop versioned for vectorization because of possible aliasing nwpw_xc.F:674:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:966:0: note: loop vectorized nwpw_xc.F:966:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:889:0: note: loop vectorized nwpw_xc.F:889:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_vosko.F nwpw_vosko.F:85:0: note: loop vectorized nwpw_vosko.F:85:0: note: loop versioned for vectorization because of possible aliasing nwpw_vosko.F:85:0: note: loop peeled for vectorization to enhance alignment nwpw_vosko.F:102:0: note: loop vectorized nwpw_vosko.F:102:0: note: loop peeled for vectorization to enhance alignment nwpw_vosko.F:77:0: note: loop vectorized nwpw_vosko.F:77:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_gga.F nwpw_gga.F:57:0: note: loop vectorized nwpw_gga.F:57:0: note: loop peeled for vectorization to enhance alignment nwpw_gga.F:42:0: note: loop vectorized nwpw_gga.F:42:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_SpecialKummer.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_GaussBessel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_WGaussian.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_gauss_weights.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/utilities' Making all in unitcell make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG simulation_cell_input.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a simulation_cell_input.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/unitcell' Making all in brillouin_zone make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG brillouin_zone_input.F brillouin_zone_input.F:297:0: note: loop vectorized brillouin_zone_input.F:297:0: note: loop versioned for vectorization because of possible aliasing brillouin_zone_input.F:510:0: note: loop vectorized brillouin_zone_input.F:510:0: note: loop versioned for vectorization because of possible aliasing brillouin_zone_input.F:98:0: note: loop vectorized brillouin_zone_input.F:98:0: note: loop versioned for vectorization because of possible aliasing brillouin_zone_input.F:108:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG brillioun.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a brillouin_zone_input.o brillioun.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' Making all in fractional make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fractional.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG frac_occ_input.F frac_occ_input.F:80:0: note: loop vectorized frac_occ_input.F:80:0: note: loop versioned for vectorization because of possible aliasing frac_occ_input.F:80:0: note: loop peeled for vectorization to enhance alignment frac_occ_input.F:90:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG frac_occ.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/fractional' Making all in linesearch make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG linesearch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Order_Values.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a linesearch.o Order_Values.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/linesearch' Making all in timing make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_timing.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a nwpw_timing.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/timing' Making all in ewald make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ewald.F ewald.F:1273:0: note: loop vectorized ewald.F:1138:0: note: loop vectorized ewald.F:1138:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1138:0: note: loop peeled for vectorization to enhance alignment ewald.F:1126:0: note: loop vectorized ewald.F:1126:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1126:0: note: loop peeled for vectorization to enhance alignment ewald.F:1123:0: note: loop vectorized ewald.F:1123:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1123:0: note: loop peeled for vectorization to enhance alignment ewald.F:1120:0: note: loop vectorized ewald.F:1120:0: note: loop peeled for vectorization to enhance alignment ewald.F:1116:0: note: loop vectorized ewald.F:1116:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1116:0: note: loop peeled for vectorization to enhance alignment ewald.F:1112:0: note: loop vectorized ewald.F:1112:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1112:0: note: loop peeled for vectorization to enhance alignment ewald.F:1113:0: dbl_mb(tmp1(1)+i-1)=dbl_mb(F(1)+i-1)*dbl_mb(H(1)+i-1) ^ Warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ewald.F:1838:0: note: loop vectorized ewald.F:1705:0: note: loop vectorized ewald.F:1705:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1705:0: note: loop peeled for vectorization to enhance alignment ewald.F:1693:0: note: loop vectorized ewald.F:1693:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1693:0: note: loop peeled for vectorization to enhance alignment ewald.F:1690:0: note: loop vectorized ewald.F:1690:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1690:0: note: loop peeled for vectorization to enhance alignment ewald.F:1687:0: note: loop vectorized ewald.F:1687:0: note: loop peeled for vectorization to enhance alignment ewald.F:1683:0: note: loop vectorized ewald.F:1683:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1683:0: note: loop peeled for vectorization to enhance alignment ewald.F:1679:0: note: loop vectorized ewald.F:1679:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1679:0: note: loop peeled for vectorization to enhance alignment ewald.F:1680:0: dbl_mb(tmp1(1)+i-1)=dbl_mb(F(1)+i-1)*dbl_mb(H(1)+i-1) ^ Warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ewald.F:2402:0: note: loop vectorized ewald.F:2269:0: note: loop vectorized ewald.F:2269:0: note: loop versioned for vectorization because of possible aliasing ewald.F:2269:0: note: loop peeled for vectorization to enhance alignment ewald.F:2257:0: note: loop vectorized ewald.F:2257:0: note: loop versioned for vectorization because of possible aliasing ewald.F:2257:0: note: loop peeled for vectorization to enhance alignment ewald.F:2254:0: note: loop vectorized ewald.F:2254:0: note: loop versioned for vectorization because of possible aliasing ewald.F:2254:0: note: loop peeled for vectorization to enhance alignment ewald.F:2251:0: note: loop vectorized ewald.F:2251:0: note: loop peeled for vectorization to enhance alignment ewald.F:2247:0: note: loop vectorized ewald.F:2247:0: note: loop versioned for vectorization because of possible aliasing ewald.F:2247:0: note: loop peeled for vectorization to enhance alignment ewald.F:2243:0: note: loop vectorized ewald.F:2243:0: note: loop versioned for vectorization because of possible aliasing ewald.F:2243:0: note: loop peeled for vectorization to enhance alignment ewald.F:2244:0: dbl_mb(tmp1(1)+i-1)=dbl_mb(F(1)+i-1)*dbl_mb(H(1)+i-1) ^ Warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ewald_strfac.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a ewald.o ewald_strfac.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/ewald' Making all in thermostats make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nose-hoover.F nose-hoover.F:173:0: note: loop vectorized nose-hoover.F:173:0: note: loop versioned for vectorization because of possible aliasing nose-hoover.F:173:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:170:0: note: loop vectorized nose-hoover.F:170:0: note: loop versioned for vectorization because of possible aliasing nose-hoover.F:170:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:181:0: note: loop vectorized nose-hoover.F:181:0: note: loop versioned for vectorization because of possible aliasing nose-hoover.F:181:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:177:0: note: loop vectorized nose-hoover.F:177:0: note: loop versioned for vectorization because of possible aliasing nose-hoover.F:177:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:225:0: note: loop vectorized nose-hoover.F:225:0: note: loop versioned for vectorization because of possible aliasing nose-hoover.F:225:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:221:0: note: loop vectorized nose-hoover.F:221:0: note: loop versioned for vectorization because of possible aliasing nose-hoover.F:221:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:674:0: note: loop vectorized nose-hoover.F:674:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:711:0: note: loop vectorized nose-hoover.F:711:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a nose-hoover.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/thermostats' Making all in MetaDynamics make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG metadynamics_input.F metadynamics_input.F:637:0: note: loop vectorized metadynamics_input.F:637:0: note: loop versioned for vectorization because of possible aliasing metadynamics_input.F:637:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:633:0: note: loop vectorized metadynamics_input.F:633:0: note: loop versioned for vectorization because of possible aliasing metadynamics_input.F:633:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:768:0: note: loop vectorized metadynamics_input.F:768:0: note: loop versioned for vectorization because of possible aliasing metadynamics_input.F:768:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:1666:0: note: loop vectorized metadynamics_input.F:1666:0: note: loop versioned for vectorization because of possible aliasing metadynamics_input.F:1666:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:1662:0: note: loop vectorized metadynamics_input.F:1662:0: note: loop versioned for vectorization because of possible aliasing metadynamics_input.F:1662:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:1558:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG metadynamics_aux.F metadynamics_aux.F:228:57: > indx1(1),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:230:57: > indx1(2),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:244:62: > indx1(i+1),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:256:61: > indx1(n1),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:307:57: > indx1(1),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:309:57: > indx1(2),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:337:64: > indx1(i+1),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:369:61: > indx1(n1),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:90:0: dVdN2 = dVdRb*dRbdN2 ^ Warning: 'drbdn2' is used uninitialized in this function [-Wuninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG metadynamics.F metadynamics.F:2034:0: real*8 wr,ar,br,wp,ap,bp,fr,fp,frp,gr,gp ^ Warning: 'wr' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:2034:0: Warning: 'wp' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:2034:0: Warning: 'br' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:2034:0: Warning: 'ar' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:261:0: note: loop vectorized metadynamics.F:261:0: note: loop peeled for vectorization to enhance alignment metadynamics.F:582:0: note: loop vectorized metadynamics.F:582:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' Making all in TAMD make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tamd_input.F tamd_input.F:765:0: note: loop vectorized tamd_input.F:765:0: note: loop versioned for vectorization because of possible aliasing tamd_input.F:765:0: note: loop peeled for vectorization to enhance alignment tamd_input.F:761:0: note: loop vectorized tamd_input.F:761:0: note: loop versioned for vectorization because of possible aliasing tamd_input.F:761:0: note: loop peeled for vectorization to enhance alignment tamd_input.F:902:0: note: loop vectorized tamd_input.F:902:0: note: loop versioned for vectorization because of possible aliasing tamd_input.F:902:0: note: loop peeled for vectorization to enhance alignment tamd_input.F:229:0: note: basic block vectorized tamd_input.F:363:0: note: basic block vectorized tamd_input.F:497:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tamd.F tamd.F:268:0: note: loop vectorized tamd.F:268:0: note: loop peeled for vectorization to enhance alignment tamd.F:660:0: note: loop vectorized tamd.F:660:0: note: loop peeled for vectorization to enhance alignment tamd.F:2257:0: real*8 wr,ar,br,wp,ap,bp,fr,fp,frp,gr,gp ^ Warning: 'wr' may be used uninitialized in this function [-Wmaybe-uninitialized] tamd.F:2257:0: Warning: 'wp' may be used uninitialized in this function [-Wmaybe-uninitialized] tamd.F:2257:0: Warning: 'br' may be used uninitialized in this function [-Wmaybe-uninitialized] tamd.F:2257:0: Warning: 'ar' may be used uninitialized in this function [-Wmaybe-uninitialized] make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a tamd_input.o tamd.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/TAMD' Making all in FMM make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fmm.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a fmm.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/FMM' Making all in md_xs make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFEFF -DFEFF8 md_xs_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFEFF -DFEFF8 md_xs.F md_xs.F:1394:0: note: loop vectorized md_xs.F:275:0: else if (mc_algorithm.eq.2) then ^ Warning: 'mc_algorithm' may be used uninitialized in this function [-Wmaybe-uninitialized] md_xs.F:39:0: integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm ^ note: 'mc_algorithm' was declared here md_xs.F:1416:0: note: loop vectorized md_xs.F:1416:0: note: loop peeled for vectorization to enhance alignment md_xs.F:1428:0: note: loop vectorized md_xs.F:1428:0: note: loop peeled for vectorization to enhance alignment md_xs.F:1556:0: note: loop vectorized md_xs.F:1556:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' Making all in FEFF6L make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O feff6Lib.f feff6Lib.f:7514:20: 2 ispinr, dgc0, dpc0, et) 1 Warning: Type mismatch in argument 'dgc0' at (1); passed INTEGER(8) to REAL(8) feff6Lib.f:7528:20: 2 ispinr, dgc0, dpc0, etinit) 1 Warning: Type mismatch in argument 'dgc0' at (1); passed INTEGER(8) to REAL(8) feff6Lib.f:7537:20: 2 ispinr, dgc0, dpc0, etfin) 1 Warning: Type mismatch in argument 'dgc0' at (1); passed INTEGER(8) to REAL(8) feff6Lib.f:6532:20: common /atoms/ rat(3,0:natx), ipot(0:natx), i1b(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons feff6Lib.f:6123:20: common /atoms/ rat(3,0:natx), ipot(0:natx), i1b(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons feff6Lib.f:5383:20: common /atoms/ rat(3,0:natx), ipot(0:natx), i1b(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons feff6Lib.f:11304:20: common /atoms/ rat(3,0:natx), ipot(0:natx), ilb(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons feff6Lib.f:7126:20: common /atoms/ rat(3,0:natx), ipot(0:natx), i1b(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons feff6Lib.f:5577:20: common /atoms/ rat(3,0:natx), ipot(0:natx), i1b(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons feff6Lib.f:5773:20: common /atoms/ rat(3,0:natx), ipot(0:natx), i1b(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a feff6Lib.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a md_xs_input.o md_xs.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib/md_xs' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/nwpwlib' Making all in libraryps make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_library.F nwpw_library.F:116:0: integer l_lgth,i,sqptr_l,sqptr_r,k_lgth ^ Warning: 'sqptr_r' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_library.F:116:0: Warning: 'sqptr_l' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_libfile.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_set_library.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/libraryps' Making all in pspw make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_pspw.F Making all in lib make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib' Making all in psi make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dipole.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec orthocheck.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi.F psi.F:3260:0: note: loop vectorized psi.F:3260:0: note: loop peeled for vectorization to enhance alignment psi.F:3326:0: note: loop vectorized psi.F:3326:0: note: loop peeled for vectorization to enhance alignment psi.F:4955:0: note: loop vectorized psi.F:4955:0: note: loop versioned for vectorization because of possible aliasing psi.F:4955:0: note: loop peeled for vectorization to enhance alignment psi.F:5026:0: note: loop vectorized psi.F:5026:0: note: loop peeled for vectorization to enhance alignment psi.F:5519:0: note: loop vectorized psi.F:5519:0: note: loop versioned for vectorization because of possible aliasing psi.F:5521:0: note: basic block vectorized psi.F:5576:0: note: loop vectorized psi.F:5576:0: note: loop versioned for vectorization because of possible aliasing psi.F:5576:0: note: loop peeled for vectorization to enhance alignment psi.F:6824:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_spin2.F psi_spin2.F:55:0: note: loop vectorized psi_spin2.F:55:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geodesic.F geodesic.F:373:0: note: loop vectorized geodesic.F:373:0: note: loop peeled for vectorization to enhance alignment geodesic.F:492:0: note: loop vectorized geodesic.F:492:0: note: loop peeled for vectorization to enhance alignment geodesic.F:616:0: note: loop vectorized geodesic.F:616:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geodesic2.F geodesic2.F:232:0: note: loop vectorized geodesic2.F:232:0: note: loop peeled for vectorization to enhance alignment geodesic2.F:406:0: note: loop vectorized geodesic2.F:406:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Grassman.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_dmatrix.F psi_dmatrix.F:199:0: note: loop vectorized psi_dmatrix.F:199:0: note: loop peeled for vectorization to enhance alignment psi_dmatrix.F:186:0: note: loop vectorized psi_dmatrix.F:186:0: note: loop peeled for vectorization to enhance alignment psi_dmatrix.F:114:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_psi_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_psi_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_psi_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_history.F psi_history.F:210:0: note: loop vectorized psi_history.F:210:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_write_filename.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_read_filename.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG berry_phase_pol.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a dipole.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o berry_phase_pol.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psi' Making all in electron make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_H.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_Hv4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG electron.F electron.F:1691:0: note: loop vectorized electron.F:1691:0: note: loop peeled for vectorization to enhance alignment electron.F:1704:0: note: loop vectorized electron.F:1704:0: note: loop peeled for vectorization to enhance alignment electron.F:1774:0: note: loop vectorized electron.F:1774:0: note: loop peeled for vectorization to enhance alignment electron.F:1786:0: note: loop vectorized electron.F:1786:0: note: loop peeled for vectorization to enhance alignment make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a psi_H.o psi_Hv4.o electron.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/electron' Making all in ke make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ke.F ke.F:66:0: note: loop vectorized ke.F:66:0: note: loop versioned for vectorization because of possible aliasing ke.F:66:0: note: loop peeled for vectorization to enhance alignment ke.F:586:0: note: loop vectorized make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a ke.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ke' Making all in coulomb make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG coulomb.F coulomb.F:403:0: note: loop vectorized coulomb.F:387:0: note: loop vectorized coulomb.F:371:0: note: loop vectorized coulomb.F:371:0: note: loop versioned for vectorization because of possible aliasing coulomb.F:371:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG coulomb2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG coulomb_screened.F coulomb_screened.F:647:43: call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a coulomb.o coulomb2.o coulomb_screened.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/coulomb' Making all in exchange-correlation make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_bwexc_all.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_exc.F v_exc.F:78:0: note: loop vectorized v_exc.F:78:0: note: loop peeled for vectorization to enhance alignment v_exc.F:82:0: note: loop vectorized v_exc.F:82:0: note: loop peeled for vectorization to enhance alignment v_exc.F:119:0: note: loop vectorized v_exc.F:119:0: note: loop peeled for vectorization to enhance alignment v_exc.F:100:0: note: loop vectorized v_exc.F:100:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_mexc.F v_mexc.F:140:0: note: loop vectorized v_mexc.F:140:0: note: loop peeled for vectorization to enhance alignment v_mexc.F:445:0: note: loop vectorized v_mexc.F:445:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_bwexc.F v_bwexc.F:151:0: note: loop vectorized v_bwexc.F:151:0: note: loop peeled for vectorization to enhance alignment v_bwexc.F:517:0: note: loop vectorized v_bwexc.F:517:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_bwexc_euv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_meta_gga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec pbe96.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec pbesol.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec revpbe.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec blyp.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG b3lyp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bnl2007_x.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hsepbe.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a v_bwexc_all.o v_exc.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' Making all in sic make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_sic.F pspw_sic.F:902:0: note: loop vectorized pspw_sic.F:902:0: note: loop peeled for vectorization to enhance alignment pspw_sic.F:892:0: note: loop vectorized pspw_sic.F:892:0: note: loop peeled for vectorization to enhance alignment make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a pspw_sic.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/sic' Making all in hfx make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_hfx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_hfx_localized.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a pspw_hfx.o pspw_hfx_localized.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/hfx' Making all in ion make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ion_ion.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a ion_ion.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/ion' Making all in psp make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG MOTION.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp.F psp.F:3464:24: > dbl_mb(tmp(1)),dbl_mb(tmp2(1)), 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) psp.F:2404:0: note: loop vectorized psp.F:2404:0: note: loop peeled for vectorization to enhance alignment psp.F:194:0: note: loop vectorized psp.F:194:0: note: loop versioned for vectorization because of possible aliasing psp.F:194:0: note: loop peeled for vectorization to enhance alignment psp.F:194:0: note: loop vectorized psp.F:194:0: note: loop versioned for vectorization because of possible aliasing psp.F:194:0: note: loop peeled for vectorization to enhance alignment psp.F:194:0: note: loop vectorized psp.F:194:0: note: loop versioned for vectorization because of possible aliasing psp.F:194:0: note: loop peeled for vectorization to enhance alignment psp.F:1459:0: note: loop vectorized psp.F:1459:0: note: loop peeled for vectorization to enhance alignment psp.F:1662:0: > dbl_mb(xtmp(1)),fion(3,ii)) ^ Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:1660:0: > dbl_mb(xtmp(1)),fion(2,ii)) ^ Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:1658:0: > dbl_mb(xtmp(1)),fion(1,ii)) ^ Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:1990:0: integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm ^ Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:1990:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:1990:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_olddebug.F psp_olddebug.F:35:0: integer G(3),npack1,nion,nu ^ Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_olddebug.F:35:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_olddebug.F:35:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_cmp_dE_Qlm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw.F paw.F:2866:38: call v_local_seperate_paw(dbl_mb(rho_cmp_smooth(1)), 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3070:38: call v_local_seperate_paw(dbl_mb(rho_cmp_smooth(1)), 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3088:41: call f_local_seperate_paw(dbl_mb(rho_cmp_smooth(1)), 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4337:38: call v_local_seperate_paw(dbl_mb(rho_cmp_smooth(1)), 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4355:41: call f_local_seperate_paw(dbl_mb(rho_cmp_smooth(1)), 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:147:0: note: loop vectorized paw.F:147:0: note: loop peeled for vectorization to enhance alignment paw.F:4123:0: note: loop vectorized paw.F:4123:0: note: loop peeled for vectorization to enhance alignment paw.F:3939:0: note: loop vectorized paw.F:3939:0: note: loop peeled for vectorization to enhance alignment paw.F:1106:0: call Pack_tt_idot(0,dbl_mb(G(3)),dbl_mb(xtmp(1)),fion(3,ii)) ^ Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] paw.F:1105:0: call Pack_tt_idot(0,dbl_mb(G(2)),dbl_mb(xtmp(1)),fion(2,ii)) ^ Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] paw.F:1104:0: call Pack_tt_idot(0,dbl_mb(G(1)),dbl_mb(xtmp(1)),fion(1,ii)) ^ Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] paw.F:2329:0: note: loop vectorized paw.F:2329:0: note: loop peeled for vectorization to enhance alignment paw.F:2473:0: note: loop vectorized paw.F:2473:0: note: loop peeled for vectorization to enhance alignment paw.F:2657:0: note: loop vectorized paw.F:2657:0: note: loop peeled for vectorization to enhance alignment paw.F:3253:0: note: loop vectorized paw.F:3253:0: note: loop peeled for vectorization to enhance alignment paw.F:3356:0: note: loop vectorized paw.F:3356:0: note: loop peeled for vectorization to enhance alignment paw.F:3344:0: note: loop vectorized paw.F:3344:0: note: loop versioned for vectorization because of possible aliasing paw.F:3344:0: note: loop peeled for vectorization to enhance alignment paw.F:3325:0: note: loop vectorized paw.F:3325:0: note: loop peeled for vectorization to enhance alignment paw.F:3321:0: note: loop vectorized paw.F:3321:0: note: loop peeled for vectorization to enhance alignment paw.F:3345:0: rholm_ae(ig,ms,lm) = taunt*rholm_ae(ig,ms,1) ^ Warning: 'taunt' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_stress.F psp_stress.F:704:24: > dbl_mb(tmp(1)),dbl_mb(tmp2(1)), 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG semicore.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG semicore_force.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_U.F psp_U.F:823:0: density_total = density(1)+density(ispin) ^ Warning: 'density[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:823:0: Warning: 'density[_220]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:906:0: note: loop vectorized psp_U.F:906:0: note: loop peeled for vectorization to enhance alignment psp_U.F:200:0: integer G(3),npack1,nion,nu ^ Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:200:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:200:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_ld.F psp_ld.F:585:0: note: loop vectorized psp_ld.F:585:0: note: loop peeled for vectorization to enhance alignment psp_ld.F:398:0: note: loop vectorized psp_ld.F:398:0: note: loop peeled for vectorization to enhance alignment psp_ld.F:398:0: note: loop vectorized psp_ld.F:398:0: note: loop peeled for vectorization to enhance alignment make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/psp' Making all in Grsm_list make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_Grsm_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_lmbfgs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_lmbfgs2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_lmbfgs3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_diis.F pspw_diis.F:95:0: note: loop vectorized pspw_diis.F:95:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_rmmdiis.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' Making all in aorbs make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aorbs.F aorbs.F:686:24: > dbl_mb(tmp(1)),dbl_mb(tmp2(1)), 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a aorbs.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/aorbs' Making all in truncating_function make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG truncating_function.F truncating_function.F:235:0: note: loop vectorized truncating_function.F:235:0: note: loop peeled for vectorization to enhance alignment truncating_function.F:235:0: note: loop vectorized truncating_function.F:235:0: note: loop peeled for vectorization to enhance alignment make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a truncating_function.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lib' Making all in kbpp make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_formatter_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_formatter.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_stress_formatter.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pawppv1.F pawppv1.F:648:0: note: loop vectorized pawppv1.F:648:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hghppv1.F hghppv1.F:283:0: note: loop vectorized hghppv1.F:283:0: note: loop versioned for vectorization because of possible aliasing hghppv1.F:283:0: note: loop peeled for vectorization to enhance alignment hghppv1.F:234:0: note: loop vectorized hghppv1.F:234:0: note: loop versioned for vectorization because of possible aliasing hghppv1.F:234:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG HGH_local.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG HGH_nonlocal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Tesseral.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbppv3.F kbppv3.F:327:0: note: loop vectorized kbppv3.F:327:0: note: loop versioned for vectorization because of possible aliasing kbppv3.F:327:0: note: loop peeled for vectorization to enhance alignment kbppv3.F:320:0: note: loop vectorized kbppv3.F:320:0: note: loop versioned for vectorization because of possible aliasing kbppv3.F:320:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbppv3-stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec setup_kbpp.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_ray.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3.f integrate_kbppv3.f:368:0: note: loop vectorized integrate_kbppv3.f:368:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:354:0: note: loop vectorized integrate_kbppv3.f:354:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:325:0: note: loop vectorized integrate_kbppv3.f:325:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:307:0: note: loop vectorized integrate_kbppv3.f:307:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:302:0: note: loop vectorized integrate_kbppv3.f:302:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:272:0: note: loop vectorized integrate_kbppv3.f:272:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:260:0: note: loop vectorized integrate_kbppv3.f:260:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:239:0: note: loop vectorized integrate_kbppv3.f:239:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:204:0: note: loop vectorized integrate_kbppv3.f:204:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:149:0: note: loop vectorized integrate_kbppv3.f:149:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:105:0: note: loop vectorized integrate_kbppv3.f:105:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:95:0: note: loop vectorized integrate_kbppv3.f:95:0: note: loop versioned for vectorization because of possible aliasing integrate_kbppv3.f:95:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3_new.f integrate_kbppv3_new.f:105:0: note: loop vectorized integrate_kbppv3_new.f:105:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_new.f:95:0: note: loop vectorized integrate_kbppv3_new.f:95:0: note: loop versioned for vectorization because of possible aliasing integrate_kbppv3_new.f:95:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3_ray.f integrate_kbppv3_ray.f:237:0: note: loop vectorized integrate_kbppv3_ray.f:237:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:225:0: note: loop vectorized integrate_kbppv3_ray.f:225:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:196:0: note: loop vectorized integrate_kbppv3_ray.f:196:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:182:0: note: loop vectorized integrate_kbppv3_ray.f:182:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:177:0: note: loop vectorized integrate_kbppv3_ray.f:177:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:147:0: note: loop vectorized integrate_kbppv3_ray.f:147:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:136:0: note: loop vectorized integrate_kbppv3_ray.f:136:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:127:0: note: loop vectorized integrate_kbppv3_ray.f:127:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:116:0: note: loop vectorized integrate_kbppv3_ray.f:116:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:104:0: note: loop vectorized integrate_kbppv3_ray.f:104:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_stress.F integrate_stress.F:416:0: note: loop vectorized integrate_stress.F:416:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:405:0: note: loop vectorized integrate_stress.F:405:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:391:0: note: loop vectorized integrate_stress.F:391:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:343:0: note: loop vectorized integrate_stress.F:343:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:337:0: note: loop vectorized integrate_stress.F:337:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:263:0: note: loop vectorized integrate_stress.F:263:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:256:0: note: loop vectorized integrate_stress.F:256:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:154:0: note: loop vectorized integrate_stress.F:154:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:146:0: note: loop vectorized integrate_stress.F:146:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:93:0: note: loop vectorized integrate_stress.F:93:0: note: loop versioned for vectorization because of possible aliasing integrate_stress.F:93:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_stress_new.F integrate_stress_new.F:95:0: note: loop vectorized integrate_stress_new.F:95:0: note: loop versioned for vectorization because of possible aliasing integrate_stress_new.F:95:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_stress_ray.F integrate_stress_ray.F:185:0: note: loop vectorized integrate_stress_ray.F:185:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:178:0: note: loop vectorized integrate_stress_ray.F:178:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:169:0: note: loop vectorized integrate_stress_ray.F:169:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:159:0: note: loop vectorized integrate_stress_ray.F:159:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:153:0: note: loop vectorized integrate_stress_ray.F:153:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:140:0: note: loop vectorized integrate_stress_ray.F:140:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:133:0: note: loop vectorized integrate_stress_ray.F:133:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:119:0: note: loop vectorized integrate_stress_ray.F:119:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:111:0: note: loop vectorized integrate_stress_ray.F:111:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aorbs_formatter.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_orb.F kbpp_orb.F:258:0: note: loop vectorized kbpp_orb.F:258:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_orb.F integrate_kbpp_orb.F:222:0: note: loop vectorized integrate_kbpp_orb.F:222:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_orb.F:201:0: note: loop vectorized integrate_kbpp_orb.F:201:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_orb.F:180:0: note: loop vectorized integrate_kbpp_orb.F:180:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_orb.F:148:0: note: loop vectorized integrate_kbpp_orb.F:148:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_orb.F:101:0: note: loop vectorized integrate_kbpp_orb.F:101:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_pawppv1.F integrate_pawppv1.F:481:0: note: loop vectorized integrate_pawppv1.F:481:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:471:0: note: loop vectorized integrate_pawppv1.F:471:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:452:0: note: loop vectorized integrate_pawppv1.F:452:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:438:0: note: loop vectorized integrate_pawppv1.F:438:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:430:0: note: loop vectorized integrate_pawppv1.F:430:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:412:0: note: loop vectorized integrate_pawppv1.F:412:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:398:0: note: loop vectorized integrate_pawppv1.F:398:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:352:0: note: loop vectorized integrate_pawppv1.F:352:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:341:0: note: loop vectorized integrate_pawppv1.F:341:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:291:0: note: loop vectorized integrate_pawppv1.F:291:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:278:0: note: loop vectorized integrate_pawppv1.F:278:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:259:0: note: loop vectorized integrate_pawppv1.F:259:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:248:0: note: loop vectorized integrate_pawppv1.F:248:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:184:0: note: loop vectorized integrate_pawppv1.F:184:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:173:0: note: loop vectorized integrate_pawppv1.F:173:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:147:0: note: loop vectorized integrate_pawppv1.F:147:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:141:0: note: loop vectorized integrate_pawppv1.F:141:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:122:0: note: loop vectorized integrate_pawppv1.F:122:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_paw_ray.F integrate_paw_ray.F:224:0: note: loop vectorized integrate_paw_ray.F:224:0: note: loop peeled for vectorization to enhance alignment integrate_paw_ray.F:212:0: note: loop vectorized integrate_paw_ray.F:212:0: note: loop peeled for vectorization to enhance alignment integrate_paw_ray.F:169:0: note: loop vectorized integrate_paw_ray.F:169:0: note: loop peeled for vectorization to enhance alignment integrate_paw_ray.F:128:0: note: loop vectorized integrate_paw_ray.F:128:0: note: loop peeled for vectorization to enhance alignment integrate_paw_ray.F:96:0: note: loop vectorized integrate_paw_ray.F:96:0: note: loop peeled for vectorization to enhance alignment integrate_paw_ray.F:108:0: note: loop vectorized integrate_paw_ray.F:108:0: note: loop peeled for vectorization to enhance alignment integrate_paw_ray.F:119:0: note: loop vectorized integrate_paw_ray.F:119:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbppv3d.F kbppv3d.F:587:0: note: loop vectorized kbppv3d.F:587:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:582:0: note: loop vectorized kbppv3d.F:582:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:577:0: note: loop vectorized kbppv3d.F:577:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:572:0: note: loop vectorized kbppv3d.F:572:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:567:0: note: loop vectorized kbppv3d.F:567:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:562:0: note: loop vectorized kbppv3d.F:562:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:543:0: note: loop vectorized kbppv3d.F:543:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:370:0: note: loop vectorized kbppv3d.F:370:0: note: loop versioned for vectorization because of possible aliasing kbppv3d.F:370:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:363:0: note: loop vectorized kbppv3d.F:363:0: note: loop versioned for vectorization because of possible aliasing kbppv3d.F:363:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbppv3d_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3d.f integrate_kbppv3d.f:371:0: note: loop vectorized integrate_kbppv3d.f:371:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:357:0: note: loop vectorized integrate_kbppv3d.f:357:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:328:0: note: loop vectorized integrate_kbppv3d.f:328:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:308:0: note: loop vectorized integrate_kbppv3d.f:308:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:303:0: note: loop vectorized integrate_kbppv3d.f:303:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:273:0: note: loop vectorized integrate_kbppv3d.f:273:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:261:0: note: loop vectorized integrate_kbppv3d.f:261:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:246:0: note: loop vectorized integrate_kbppv3d.f:246:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:211:0: note: loop vectorized integrate_kbppv3d.f:211:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:156:0: note: loop vectorized integrate_kbppv3d.f:156:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:108:0: note: loop vectorized integrate_kbppv3d.f:108:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:98:0: note: loop vectorized integrate_kbppv3d.f:98:0: note: loop versioned for vectorization because of possible aliasing integrate_kbppv3d.f:98:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_d_stress.F integrate_d_stress.F:422:0: note: loop vectorized integrate_d_stress.F:422:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:411:0: note: loop vectorized integrate_d_stress.F:411:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:397:0: note: loop vectorized integrate_d_stress.F:397:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:349:0: note: loop vectorized integrate_d_stress.F:349:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:343:0: note: loop vectorized integrate_d_stress.F:343:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:269:0: note: loop vectorized integrate_d_stress.F:269:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:262:0: note: loop vectorized integrate_d_stress.F:262:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:161:0: note: loop vectorized integrate_d_stress.F:161:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:153:0: note: loop vectorized integrate_d_stress.F:153:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:98:0: note: loop vectorized integrate_d_stress.F:98:0: note: loop versioned for vectorization because of possible aliasing integrate_d_stress.F:98:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3d_new.f integrate_kbppv3d_new.f:107:0: note: loop vectorized integrate_kbppv3d_new.f:107:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d_new.f:97:0: note: loop vectorized integrate_kbppv3d_new.f:97:0: note: loop versioned for vectorization because of possible aliasing integrate_kbppv3d_new.f:97:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_d_stress_new.F integrate_d_stress_new.F:97:0: note: loop vectorized integrate_d_stress_new.F:97:0: note: loop versioned for vectorization because of possible aliasing integrate_d_stress_new.F:97:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbppv3e.F kbppv3e.F:352:0: note: loop vectorized kbppv3e.F:352:0: note: loop versioned for vectorization because of possible aliasing kbppv3e.F:352:0: note: loop peeled for vectorization to enhance alignment kbppv3e.F:345:0: note: loop vectorized kbppv3e.F:345:0: note: loop versioned for vectorization because of possible aliasing kbppv3e.F:345:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbppv3e_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3e.f integrate_kbppv3e.f:517:0: note: loop vectorized integrate_kbppv3e.f:387:0: note: loop vectorized integrate_kbppv3e.f:387:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:372:0: note: loop vectorized integrate_kbppv3e.f:372:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:343:0: note: loop vectorized integrate_kbppv3e.f:343:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:323:0: note: loop vectorized integrate_kbppv3e.f:323:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:318:0: note: loop vectorized integrate_kbppv3e.f:318:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:288:0: note: loop vectorized integrate_kbppv3e.f:288:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:275:0: note: loop vectorized integrate_kbppv3e.f:275:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:258:0: note: loop vectorized integrate_kbppv3e.f:258:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:233:0: note: loop vectorized integrate_kbppv3e.f:233:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:196:0: note: loop vectorized integrate_kbppv3e.f:196:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:134:0: note: loop vectorized integrate_kbppv3e.f:134:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:128:0: note: loop vectorized integrate_kbppv3e.f:128:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:110:0: note: loop vectorized integrate_kbppv3e.f:110:0: note: loop versioned for vectorization because of possible aliasing integrate_kbppv3e.f:110:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3e_new.f integrate_kbppv3e_new.f:490:0: note: loop vectorized integrate_kbppv3e_new.f:136:0: note: loop vectorized integrate_kbppv3e_new.f:136:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_new.f:130:0: note: loop vectorized integrate_kbppv3e_new.f:130:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_new.f:112:0: note: loop vectorized integrate_kbppv3e_new.f:112:0: note: loop versioned for vectorization because of possible aliasing integrate_kbppv3e_new.f:112:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3e_ray.f integrate_kbppv3e_ray.f:263:0: note: loop vectorized integrate_kbppv3e_ray.f:263:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:248:0: note: loop vectorized integrate_kbppv3e_ray.f:248:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:219:0: note: loop vectorized integrate_kbppv3e_ray.f:219:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:205:0: note: loop vectorized integrate_kbppv3e_ray.f:205:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:200:0: note: loop vectorized integrate_kbppv3e_ray.f:200:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:170:0: note: loop vectorized integrate_kbppv3e_ray.f:170:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:158:0: note: loop vectorized integrate_kbppv3e_ray.f:158:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:147:0: note: loop vectorized integrate_kbppv3e_ray.f:147:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:134:0: note: loop vectorized integrate_kbppv3e_ray.f:134:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:120:0: note: loop vectorized integrate_kbppv3e_ray.f:120:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_e_stress.F integrate_e_stress.F:443:0: note: loop vectorized integrate_e_stress.F:443:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:432:0: note: loop vectorized integrate_e_stress.F:432:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:417:0: note: loop vectorized integrate_e_stress.F:417:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:367:0: note: loop vectorized integrate_e_stress.F:367:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:361:0: note: loop vectorized integrate_e_stress.F:361:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:285:0: note: loop vectorized integrate_e_stress.F:285:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:278:0: note: loop vectorized integrate_e_stress.F:278:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:175:0: note: loop vectorized integrate_e_stress.F:175:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:167:0: note: loop vectorized integrate_e_stress.F:167:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:111:0: note: loop vectorized integrate_e_stress.F:111:0: note: loop versioned for vectorization because of possible aliasing integrate_e_stress.F:111:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_e_stress_new.F integrate_e_stress_new.F:111:0: note: loop vectorized integrate_e_stress_new.F:111:0: note: loop versioned for vectorization because of possible aliasing integrate_e_stress_new.F:111:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_e_stress_ray.F integrate_e_stress_ray.F:207:0: note: loop vectorized integrate_e_stress_ray.F:207:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:200:0: note: loop vectorized integrate_e_stress_ray.F:200:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:190:0: note: loop vectorized integrate_e_stress_ray.F:190:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:178:0: note: loop vectorized integrate_e_stress_ray.F:178:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:172:0: note: loop vectorized integrate_e_stress_ray.F:172:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:157:0: note: loop vectorized integrate_e_stress_ray.F:157:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:150:0: note: loop vectorized integrate_e_stress_ray.F:150:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:134:0: note: loop vectorized integrate_e_stress_ray.F:134:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:126:0: note: loop vectorized integrate_e_stress_ray.F:126:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/kbpp' Making all in makepsi make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_init_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_init.F wvfnc_init.F:247:0: note: loop vectorized wvfnc_init.F:247:0: note: loop vectorized wvfnc_init.F:238:0: note: loop vectorized wvfnc_init.F:135:0: dcpl_mb(cfull_indx+l1) = cc ^ Warning: 'IMAGPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_init.F:36:0: double complex cc,cx,sx,zx ^ note: 'IMAGPART_EXPR <cc>' was declared here wvfnc_init.F:135:0: dcpl_mb(cfull_indx+l1) = cc ^ Warning: 'REALPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_init.F:36:0: double complex cc,cx,sx,zx ^ note: 'REALPART_EXPR <cc>' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_new.F wvfnc_new.F:213:0: dcpl_mb(cfull_indx+l1) = cc ^ Warning: 'IMAGPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_new.F:213:0: Warning: 'REALPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_expander_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_expander.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_reformat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_ionize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_adjust.F wvfnc_adjust.F:213:0: dcpl_mb(cfull_indx+l2)=dconjg(cc) ^ Warning: 'IMAGPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_adjust.F:213:0: Warning: 'REALPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_convert_restricted.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_wvfnc_init_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_wvfnc_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_wvfnc_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_wannier_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_wannier.F pspw_wannier.F:307:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG silvestrelli_overlap.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG silvestrelli_minimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_wannier_old.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG silvestrelli_overlap_old.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG silvestrelli_minimize_old.F silvestrelli_minimize_old.F:192:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG expand_cell.F expand_cell.F:268:0: note: loop vectorized expand_cell.F:268:0: note: loop versioned for vectorization because of possible aliasing expand_cell.F:268:0: note: loop vectorized expand_cell.F:268:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_expand_cell.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_reformat_c_wvfnc.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/makepsi' Making all in cpsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsd_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpmd_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsdv5.F cpsdv5.F:532:0: note: loop vectorized cpsdv5.F:532:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpmdv5.F cpmdv5.F:533:0: note: loop vectorized cpmdv5.F:533:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mmsdv1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inner_loop.F inner_loop.F:742:0: note: loop vectorized inner_loop.F:295:0: note: loop vectorized inner_loop.F:295:0: note: loop peeled for vectorization to enhance alignment inner_loop.F:307:0: note: loop vectorized inner_loop.F:307:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inner_loop_md.F inner_loop_md.F:292:0: note: loop vectorized inner_loop_md.F:292:0: note: loop peeled for vectorization to enhance alignment inner_loop_md.F:304:0: note: loop vectorized inner_loop_md.F:304:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mm_loop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec psi_lmbda.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec psi_lmbda_sic.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec psi_lmbda_paw.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec psi_lmbda2.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec psi_lmbda3.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fei_output.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dipole_motion.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_et.F pspw_et.F:1461:0: note: loop vectorized pspw_et.F:1461:0: note: loop peeled for vectorization to enhance alignment pspw_et.F:1425:0: note: loop vectorized pspw_et.F:1425:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o fei_output.o dipole_motion.o pspw_et.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cpsd' Making all in cgsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgsd_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_noit_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_bq_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgsdv5.F cgsdv5.F:605:0: > 3*nion,dbl_mb(fion(1))) ^ Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] cgsdv5.F:62:0: integer i,k,ia,nion,minimizer,mapping,mapping1d ^ note: 'nion' was declared here cgsdv5.F:553:0: if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ ^ Warning: 'evq' may be used uninitialized in this function [-Wmaybe-uninitialized] cgsdv5.F:60:0: real*8 EV,EVQ,pi,rs ^ note: 'evq' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgmontecarlov1.F cgmontecarlov1.F:756:0: > dbl_mb(frac1(1))) ^ Warning: 'frac1[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] cgmontecarlov1.F:81:0: integer vcount,geom1,frac1(2),nion1 ^ note: 'frac1[0]' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgoptimize1.F cgoptimize1.F:427:0: if (opt_algorithm.eq.0) then ^ Warning: 'opt_algorithm' may be used uninitialized in this function [-Wmaybe-uninitialized] cgoptimize1.F:75:0: integer opt_algorithm ^ note: 'opt_algorithm' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgmdv5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mmmdv1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgsd_noit_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgsd_energy.F cgsd_energy.F:836:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgsd_excited.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgsd_oep_eigenvalues.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgminimize2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bfgsminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bfgsminimize2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bfgsminimize3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bybminimize.F bybminimize.F:218:0: deltae = Enew-Eold ^ Warning: 'enew' may be used uninitialized in this function [-Wmaybe-uninitialized] bybminimize.F:45:0: real*8 Enew,Eold,alpha ^ note: 'enew' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bybminimize2.F bybminimize2.F:237:0: deltae = Enew-Eold ^ Warning: 'enew' may be used uninitialized in this function [-Wmaybe-uninitialized] bybminimize2.F:46:0: real*8 Enew,Eold,alpha ^ note: 'enew' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sdminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nominimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG md_energy.F md_energy.F:277:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kp_structure.F kp_structure.F:122:0: dist = dist + (kv(3)-kold(3))**2 ^ Warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] kp_structure.F:28:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV ^ note: 'kold[2]' was declared here kp_structure.F:121:0: dist = dist + (kv(2)-kold(2))**2 ^ Warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] kp_structure.F:28:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV ^ note: 'kold[1]' was declared here kp_structure.F:120:0: dist = (kv(1)-kold(1))**2 ^ Warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] kp_structure.F:28:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV ^ note: 'kold[0]' was declared here make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cgsd' Making all in analysis make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG analysis_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG analysis.F analysis.F:422:0: note: loop vectorized analysis.F:422:0: note: loop peeled for vectorization to enhance alignment analysis.F:415:0: note: loop vectorized analysis.F:415:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orb_pop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orb_pop_kawai.F orb_pop_kawai.F:296:0: note: loop vectorized orb_pop_kawai.F:296:0: note: loop peeled for vectorization to enhance alignment orb_pop_kawai.F:289:0: note: loop vectorized orb_pop_kawai.F:289:0: note: loop peeled for vectorization to enhance alignment orb_pop_kawai.F:261:0: note: loop vectorized orb_pop_kawai.F:261:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:242:0: note: loop vectorized orb_pop_kawai.F:242:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:232:0: note: loop vectorized orb_pop_kawai.F:232:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:222:0: note: loop vectorized orb_pop_kawai.F:222:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:212:0: note: loop vectorized orb_pop_kawai.F:212:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:201:0: note: loop vectorized orb_pop_kawai.F:201:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:172:0: note: loop vectorized orb_pop_kawai.F:172:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:155:0: note: loop vectorized orb_pop_kawai.F:155:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orb_pop_aorb.F orb_pop_aorb.F:211:0: note: loop vectorized orb_pop_aorb.F:211:0: note: loop peeled for vectorization to enhance alignment orb_pop_aorb.F:204:0: note: loop vectorized orb_pop_aorb.F:204:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_Lubin_water_analysis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_atom_analysis.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' Making all in APC make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_APC.F pspw_APC.F:405:0: note: loop vectorized pspw_APC.F:405:0: note: loop peeled for vectorization to enhance alignment pspw_APC.F:395:0: note: loop vectorized pspw_APC.F:395:0: note: loop peeled for vectorization to enhance alignment pspw_APC.F:583:0: note: loop vectorized pspw_APC.F:583:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_Efield.F pspw_Efield.F:158:0: note: loop vectorized pspw_Efield.F:158:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG util_diag_jacobi.F util_diag_jacobi.F:31:0: note: loop vectorized util_diag_jacobi.F:31:0: note: loop peeled for vectorization to enhance alignment util_diag_jacobi.F:103:0: note: loop vectorized util_diag_jacobi.F:103:0: note: loop peeled for vectorization to enhance alignment util_diag_jacobi.F:93:0: note: loop vectorized util_diag_jacobi.F:93:0: note: loop versioned for vectorization because of possible aliasing util_diag_jacobi.F:93:0: note: loop peeled for vectorization to enhance alignment util_diag_jacobi.F:75:0: note: loop vectorized util_diag_jacobi.F:75:0: note: loop versioned for vectorization because of possible aliasing util_diag_jacobi.F:75:0: note: loop peeled for vectorization to enhance alignment util_diag_jacobi.F:41:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG util_sorteps.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_Efield_grad.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis/APC' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/analysis' Making all in cell_optimize make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cell_optimize_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cell_optimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG update_unitcell.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_stress_numerical.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_force_numerical.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG force_fd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stress_fd.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/cell_optimize' Making all in qmmm make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_qmmm_input.F pspw_qmmm_input.F:529:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_qmmm.F pspw_qmmm.F:284:0: note: loop vectorized pspw_qmmm.F:284:0: note: loop versioned for vectorization because of possible aliasing pspw_qmmm.F:284:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_2qmmm.F pspw_2qmmm.F:244:0: note: loop vectorized pspw_2qmmm.F:244:0: note: loop versioned for vectorization because of possible aliasing pspw_2qmmm.F:244:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_springs.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' Making all in pspw_LJ make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_LJ.F pspw_LJ.F:807:0: note: loop vectorized pspw_LJ.F:807:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:758:0: note: loop vectorized pspw_LJ.F:758:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:509:0: note: loop vectorized pspw_LJ.F:509:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:544:0: note: loop vectorized pspw_LJ.F:544:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:465:0: note: loop vectorized pspw_LJ.F:465:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:509:0: note: loop vectorized pspw_LJ.F:509:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:544:0: note: loop vectorized pspw_LJ.F:544:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:465:0: note: loop vectorized pspw_LJ.F:465:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:465:0: note: loop vectorized pspw_LJ.F:465:0: note: loop peeled for vectorization to enhance alignment make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a pspw_LJ.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' Making all in pspw_Q make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_Q.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a pspw_Q.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' Making all in pspw_Pair make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_Pair.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a pspw_Pair.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' Making all in mmq make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mmq.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a mmq.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/qmmm' Making all in charge make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_charge.F pspw_charge.F:584:0: note: loop vectorized pspw_charge.F:920:0: note: loop vectorized pspw_charge.F:1086:0: note: loop vectorized pspw_charge.F:1369:0: note: loop vectorized make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a pspw_charge.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/charge' Making all in dplot make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_dplot_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_dplot.F pspw_dplot.F:260:22: > dcpl_mb(psir(1))) 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:680:42: call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) pspw_dplot.F:270:22: > dcpl_mb(psir(1)), 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:1974:0: note: loop vectorized pspw_dplot.F:430:0: note: loop vectorized pspw_dplot.F:430:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_dplot_iteration.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ELF.F ELF.F:437:0: note: loop vectorized ELF.F:437:0: note: loop peeled for vectorization to enhance alignment ELF.F:433:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Ursenbach_smoother.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/dplot' Making all in lcao make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_wvfnc.F lcao_wvfnc.F:387:0: note: loop vectorized lcao_wvfnc.F:387:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_write_matrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_generate_smatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_generate_kematrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_generate_vlmatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_generate_vnlmatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_generate_vhxcmatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_init_dn.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_new_dn.F lcao_new_dn.F:57:0: note: loop vectorized lcao_new_dn.F:57:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_make_psi.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_write_psi.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcaov1.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a lcao_wvfnc.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw/lcao' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a task_pspw.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpspw.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/pspw' Making all in paw make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_paw.F Making all in paw_geometry make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_geometry' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_geometry' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_geometry' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_geometry' Making all in paw_ma make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_ma.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_ma.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ma' Making all in paw_utils make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_utils.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG io_utils.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chkerr.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double_factorial.f double_factorial.f:15:0: end ^ Warning: '__result_double_factorial' may be used uninitialized in this function [-Wmaybe-uninitialized] double_factorial.f:1:0: double precision function double_factorial(n) ^ note: '__result_double_factorial' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bessel_transform.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] bessel_transform.F:147:0: note: loop vectorized bessel_transform.F:147:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:153:0: note: loop vectorized bessel_transform.F:153:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:159:0: note: loop vectorized bessel_transform.F:159:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:167:0: note: loop vectorized bessel_transform.F:167:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:176:0: note: loop vectorized bessel_transform.F:176:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:186:0: note: loop vectorized bessel_transform.F:186:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:197:0: note: loop vectorized bessel_transform.F:197:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:66:0: note: loop vectorized bessel_transform.F:66:0: note: loop versioned for vectorization because of possible aliasing bessel_transform.F:66:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_gauss_weights.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_spher_grid.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_utils' Making all in paw_basis make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_basis.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_small_basis.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_basis_data.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_basis_data.F:95:0: note: loop vectorized paw_basis_data.F:95:0: note: loop versioned for vectorization because of possible aliasing paw_basis_data.F:95:0: note: loop peeled for vectorization to enhance alignment paw_basis_data.F:32:0: note: loop vectorized paw_basis_data.F:32:0: note: loop peeled for vectorization to enhance alignment paw_basis_data.F:1449:0: note: loop vectorized paw_basis_data.F:1449:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_basis' Making all in paw_proj make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_proj.F paw_proj.F:880:0: note: loop vectorized paw_proj.F:880:0: note: loop peeled for vectorization to enhance alignment paw_proj.F:918:0: complex*16 coef ^ Warning: 'IMAGPART_EXPR <coef>' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:918:0: Warning: 'REALPART_EXPR <coef>' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:880:0: note: loop vectorized paw_proj.F:880:0: note: loop peeled for vectorization to enhance alignment paw_proj.F:918:0: Warning: 'IMAGPART_EXPR <coef>' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:918:0: Warning: 'REALPART_EXPR <coef>' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:125:0: note: loop vectorized paw_proj.F:125:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_proj.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_proj' Making all in paw_matrix make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_comp_charge_matrix.F paw_comp_charge_matrix.F:164:0: note: loop vectorized paw_comp_charge_matrix.F:164:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_comp_charge_matrix.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_matrix' Making all in paw_ovlp make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_ovlp.F paw_ovlp.F:110:0: note: loop vectorized paw_ovlp.F:110:0: note: loop versioned for vectorization because of possible aliasing paw_ovlp.F:110:0: note: loop peeled for vectorization to enhance alignment paw_ovlp.F:294:0: note: loop vectorized paw_ovlp.F:305:0: note: basic block vectorized paw_ovlp.F:637:0: note: basic block vectorized paw_ovlp.F:659:0: note: basic block vectorized paw_ovlp.F:681:0: note: basic block vectorized paw_ovlp.F:703:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_overlap_matrix.F paw_overlap_matrix.F:443:0: note: loop vectorized paw_overlap_matrix.F:172:0: note: loop vectorized paw_overlap_matrix.F:172:0: note: loop peeled for vectorization to enhance alignment paw_overlap_matrix.F:172:0: note: loop vectorized paw_overlap_matrix.F:172:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_ovlp.o paw_overlap_matrix.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ovlp' Making all in paw_comp_charge make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_comp_charge.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_comp_charge.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_charge' Making all in paw_special_functions make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_spher_func.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_double_factorial.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_gamma_function.F paw_gamma_function.F:135:72: Warning: Deleted feature: PAUSE statement at (1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_hypergeom1F1.F paw_hypergeom1F1.F:12:0: DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) ^ Warning: '__result_paw_hypergeom1f1' may be used uninitialized in this function [-Wmaybe-uninitialized] make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_special_functions' Making all in paw_gaunt make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_gaunt.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_gaunt.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_gaunt' Making all in paw_kinetic make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_energy_kin_atom.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_matrix_kin.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_matrix_kin.F:157:0: note: loop vectorized paw_matrix_kin.F:157:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_kinetic' Making all in paw_vloc make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_energy_vloc_atom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_matrix_vloc.F paw_matrix_vloc.F:150:0: note: loop vectorized paw_matrix_vloc.F:150:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_vloc.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_vloc' Making all in paw_ion_potential make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_energy_ion_atom.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_matrix_ion.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_matrix_ion.F:144:0: note: loop vectorized paw_matrix_ion.F:144:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_ion_potential' Making all in paw_core make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_energy_core_atom.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_energy_core_atom.F:186:0: note: loop vectorized paw_energy_core_atom.F:186:0: note: loop versioned for vectorization because of possible aliasing paw_energy_core_atom.F:186:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_matrix_core.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_matrix_core.F:165:0: note: loop vectorized paw_matrix_core.F:165:0: note: loop versioned for vectorization because of possible aliasing paw_matrix_core.F:165:0: note: loop peeled for vectorization to enhance alignment paw_matrix_core.F:153:0: note: loop vectorized paw_matrix_core.F:153:0: note: loop versioned for vectorization because of possible aliasing paw_matrix_core.F:153:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_energy_core_atom.o paw_matrix_core.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_core' Making all in paw_hartree make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_matrix_hartree.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_matrix_hartree.F:90:0: note: loop vectorized paw_matrix_hartree.F:90:0: note: loop versioned for vectorization because of possible aliasing paw_matrix_hartree.F:90:0: note: loop peeled for vectorization to enhance alignment paw_matrix_hartree.F:78:0: note: loop vectorized paw_matrix_hartree.F:78:0: note: loop versioned for vectorization because of possible aliasing paw_matrix_hartree.F:78:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_pot_hartree.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_energy_hartree_atom.F f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_hartree' Making all in paw_comp_pot make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_matrix_comp_pot.F paw_matrix_comp_pot.F:179:0: note: loop vectorized paw_matrix_comp_pot.F:179:0: note: loop peeled for vectorization to enhance alignment paw_matrix_comp_pot.F:169:0: note: loop vectorized paw_matrix_comp_pot.F:169:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_pot_comp.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_comp_pot' Making all in paw_mult make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_mult.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_mult_interaction.F paw_mult_interaction.F:624:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_mult_energy.F paw_mult_energy.F:119:0: note: loop vectorized paw_mult_energy.F:193:0: note: loop vectorized make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_mult' Making all in paw_nonlocal make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_nonlocal.F paw_nonlocal.F:507:0: note: basic block vectorized paw_nonlocal.F:529:0: note: basic block vectorized make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_nonlocal.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_nonlocal' Making all in paw_density make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_density.F paw_density.F:559:40: call paw_density_gen_rho(ic,tmp_ms, 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:564:40: call paw_density_gen_rho(ic,tmp_ms, 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:720:41: call paw_density_gen_drho(ic,tmp_ms, 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:727:41: call paw_density_gen_drho(ic,tmp_ms, 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:774:0: note: loop vectorized paw_density.F:615:0: note: loop vectorized paw_density.F:615:0: note: loop vectorized paw_density.F:615:0: note: loop vectorized paw_density.F:774:0: note: loop vectorized paw_density.F:774:0: note: loop vectorized make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_density.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_density' Making all in paw_xc make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_xc.F paw_xc.F:1273:36: > rholm(1,1,ms), 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1313:36: > rholm_prime(1,1,ms), 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1326:21: > rholm(1,1,ms), 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1333:21: > rholm(1,1,ms), 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:667:32: > dcpl_mb(paw_xc_ylm(1)+i_ylm), 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:682:32: > dcpl_mb(paw_xc_ylm(1)+i_ylm1), 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:738:29: > dcpl_mb(paw_vxc_ae(1)), 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:812:29: > dcpl_mb(paw_dvxc_ae(1)), 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1386:0: note: loop vectorized paw_xc.F:1386:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1378:0: note: loop vectorized paw_xc.F:1378:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1407:0: note: loop vectorized paw_xc.F:1407:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1397:0: note: loop vectorized paw_xc.F:1397:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1445:0: note: loop vectorized paw_xc.F:1445:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1454:0: note: loop vectorized paw_xc.F:1454:0: note: loop versioned for vectorization because of possible aliasing paw_xc.F:1454:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1027:0: note: loop vectorized paw_xc.F:1027:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1027:0: note: loop vectorized paw_xc.F:1027:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1632:0: note: loop vectorized paw_xc.F:1605:0: note: loop vectorized paw_xc.F:1567:0: note: loop vectorized paw_xc.F:1229:0: note: loop vectorized paw_xc.F:1445:0: note: loop vectorized paw_xc.F:1445:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1454:0: note: loop vectorized paw_xc.F:1454:0: note: loop versioned for vectorization because of possible aliasing paw_xc.F:1454:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1386:0: note: loop vectorized paw_xc.F:1386:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1378:0: note: loop vectorized paw_xc.F:1378:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1407:0: note: loop vectorized paw_xc.F:1407:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1397:0: note: loop vectorized paw_xc.F:1397:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1027:0: note: loop vectorized paw_xc.F:1027:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1027:0: note: loop vectorized paw_xc.F:1027:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1027:0: note: loop vectorized paw_xc.F:1027:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1005:0: note: loop vectorized paw_xc.F:696:0: note: loop vectorized paw_xc.F:696:0: note: loop versioned for vectorization because of possible aliasing paw_xc.F:696:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1005:0: note: loop vectorized paw_xc.F:962:0: note: loop vectorized paw_xc.F:962:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_vosko.F paw_vosko.F:85:0: note: loop vectorized paw_vosko.F:85:0: note: loop versioned for vectorization because of possible aliasing paw_vosko.F:85:0: note: loop peeled for vectorization to enhance alignment paw_vosko.F:102:0: note: loop vectorized paw_vosko.F:102:0: note: loop peeled for vectorization to enhance alignment paw_vosko.F:77:0: note: loop vectorized paw_vosko.F:77:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_dirac_x.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_gga.F paw_gga.F:52:0: note: loop vectorized paw_gga.F:52:0: note: loop peeled for vectorization to enhance alignment paw_gga.F:33:0: note: loop vectorized paw_gga.F:33:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_xc' Making all in paw_force make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_force.F paw_force.F:640:0: note: loop vectorized make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_force.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_force' Making all in paw_Grsm_list make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_Grsm_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_lmbfgs.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_Grsm_list.o paw_lmbfgs.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' Making all in paw_psi make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_psi.F paw_psi.F:408:0: note: loop vectorized paw_psi.F:408:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_psi2.F paw_psi2.F:189:0: > dcpl_mb(t(1))) ^ Warning: 'lmbda_r0' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_psi2.F:189:0: Warning: 'lmbda_r0' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_psi2.F:115:0: real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 ^ note: 'lmbda_r0' was declared here paw_psi2.F:1257:0: note: loop vectorized paw_psi2.F:1257:0: note: loop peeled for vectorization to enhance alignment paw_psi2.F:1323:0: note: loop vectorized paw_psi2.F:1323:0: note: loop peeled for vectorization to enhance alignment paw_psi2.F:2579:0: note: loop vectorized paw_psi2.F:2579:0: note: loop versioned for vectorization because of possible aliasing paw_psi2.F:2581:0: note: basic block vectorized paw_psi2.F:2636:0: note: loop vectorized paw_psi2.F:2636:0: note: loop versioned for vectorization because of possible aliasing paw_psi2.F:2636:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_psi_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_psi_H.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_electron.F paw_electron.F:1321:0: note: loop vectorized paw_electron.F:1321:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_geodesic.F paw_geodesic.F:692:0: note: loop vectorized paw_geodesic.F:692:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/paw_psi' Making all in cpsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_sd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_cpmd.F paw_cpmd.F:200:0: integer icount,it_in,it_out,icount_shift ^ Warning: 'icount_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_inner_loop.F paw_inner_loop.F:788:0: note: loop vectorized paw_inner_loop.F:330:0: note: loop vectorized paw_inner_loop.F:330:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_inner_loop_md.F paw_inner_loop_md.F:334:0: note: loop vectorized paw_inner_loop_md.F:334:0: note: loop peeled for vectorization to enhance alignment paw_inner_loop_md.F:128:0: real*8 eke,eki,sse,ssr,sa1,sa2 ^ Warning: 'sa2' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_inner_loop_md.F:604:0: call Pack_c_SMul(1,dte*sa1,Hpsi(1,n),psi2(1,n)) ^ Warning: 'sa1' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_inner_loop_md.F:128:0: real*8 eke,eki,sse,ssr,sa1,sa2 ^ note: 'sa1' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_marat_write.F psi_marat_write.F:76:0: note: loop vectorized psi_marat_write.F:76:0: note: loop peeled for vectorization to enhance alignment psi_marat_write.F:80:0: note: loop vectorized psi_marat_write.F:80:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_output.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cpsd' Making all in cgsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_noit_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_minimizer.F paw_minimizer.F:505:0: > 3*nion,dbl_mb(fion(1))) ^ Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_minimizer.F:64:0: integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d ^ note: 'nion' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_cgsd_energy.F paw_cgsd_energy.F:366:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_cgminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_bfgsminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_nominimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_sdminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_cgsd_noit_energy.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cgsd' Making all in cell_optimize make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_stress_numerical.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_stress_fd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_cell_optimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_update_unitcell.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw/cell_optimize' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a task_paw.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpaw.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/paw' Making all in band make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_input.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_band.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_noit_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_stress.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' Making all in minimizer make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_minimizer.F band_minimizer.F:577:0: > 3*nion,dbl_mb(fion(1))) ^ Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] band_minimizer.F:61:0: integer i,k,ia,nion,vers,nbrillioun,nb,ms ^ note: 'nion' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_cgsd_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_cgsd_noit_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_cgsd_energy_gradient.F c_cgsd_energy_gradient.F:59:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_cgsd_energy_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_cgsd_excited.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_cgminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_bfgsminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_bybminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_bybminimize2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_sdminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_nominimize.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_bfgsminimize.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/minimizer' Making all in structure make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_structure.F band_structure.F:2286:0: note: basic block vectorized band_structure.F:2316:0: note: basic block vectorized band_structure.F:2346:0: note: basic block vectorized band_structure.F:2376:0: note: basic block vectorized band_structure.F:1463:0: note: basic block vectorized band_structure.F:1493:0: note: basic block vectorized band_structure.F:1523:0: note: basic block vectorized band_structure.F:1553:0: note: basic block vectorized band_structure.F:1929:0: note: basic block vectorized band_structure.F:1959:0: note: basic block vectorized band_structure.F:1989:0: note: basic block vectorized band_structure.F:2019:0: note: basic block vectorized band_structure.F:695:0: dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) ^ Warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_structure.F:60:0: real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut ^ note: 'kold[2]' was declared here band_structure.F:695:0: dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) ^ Warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_structure.F:60:0: real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut ^ note: 'kold[1]' was declared here band_structure.F:695:0: dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) ^ Warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_structure.F:60:0: real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut ^ note: 'kold[0]' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_interpolate_structure.F band_interpolate_structure.F:425:0: note: loop vectorized band_interpolate_structure.F:425:0: note: loop vectorized band_interpolate_structure.F:231:0: dist = dist + (kv(3)-kold(3))**2 ^ Warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_interpolate_structure.F:22:0: real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV ^ note: 'kold[2]' was declared here band_interpolate_structure.F:230:0: dist = dist + (kv(2)-kold(2))**2 ^ Warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_interpolate_structure.F:22:0: real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV ^ note: 'kold[1]' was declared here band_interpolate_structure.F:229:0: dist = (kv(1)-kold(1))**2 ^ Warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_interpolate_structure.F:22:0: real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV ^ note: 'kold[0]' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_kp_structure.F band_kp_structure.F:192:0: dist = dist + (kv(3)-kold(3))**2 ^ Warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_kp_structure.F:23:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV ^ note: 'kold[2]' was declared here band_kp_structure.F:191:0: dist = dist + (kv(2)-kold(2))**2 ^ Warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_kp_structure.F:23:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV ^ note: 'kold[1]' was declared here band_kp_structure.F:190:0: dist = (kv(1)-kold(1))**2 ^ Warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_kp_structure.F:23:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV ^ note: 'kold[0]' was declared here make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/structure' Making all in cpsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_sd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_cpmd.F band_cpmd.F:89:0: integer icount,it_in,it_out,icount_shift ^ Warning: 'icount_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] band_cpmd.F:1049:0: call print_elapsed_time(icount*it_in*dt) ^ Warning: 'dt' may be used uninitialized in this function [-Wmaybe-uninitialized] band_cpmd.F:85:0: real*8 EV,pi,dt,a,b,c,alpha,beta,gamma ^ note: 'dt' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_inner_loop.F band_inner_loop.F:356:35: > dbl_mb(psi1_shift), 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_inner_loop_md.F band_inner_loop_md.F:421:35: > dbl_mb(psi0_shift), 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:437:35: > dbl_mb(psi0_shift), 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:462:35: > dbl_mb(psi0_shift), 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:50:0: real*8 deltamm,weight,sa1,sa2,fmass,ssr,sse,r,s,h ^ Warning: 'sa2' may be used uninitialized in this function [-Wmaybe-uninitialized] band_inner_loop_md.F:781:0: call Cram_c_SMul(nb,sa1*dte,Hpsi(1,n),psi2(1,n)) ^ Warning: 'sa1' may be used uninitialized in this function [-Wmaybe-uninitialized] band_inner_loop_md.F:50:0: real*8 deltamm,weight,sa1,sa2,fmass,ssr,sse,r,s,h ^ note: 'sa1' was declared here make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cpsd' Making all in cell_optimize make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_stress_numerical.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_stress_fd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_cell_optimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_update_unitcell.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/cell_optimize' Making all in kbpp make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsp_formatter_auto.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG borbs_formatter.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_band.F kbpp_band.F:312:0: note: loop vectorized kbpp_band.F:312:0: note: loop versioned for vectorization because of possible aliasing kbpp_band.F:312:0: note: loop peeled for vectorization to enhance alignment kbpp_band.F:305:0: note: loop vectorized kbpp_band.F:305:0: note: loop versioned for vectorization because of possible aliasing kbpp_band.F:305:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_band_orb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec setup_kbpp_band.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_local.F integrate_kbpp_band_local.F:165:0: note: loop vectorized integrate_kbpp_band_local.F:165:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local.F:158:0: note: loop vectorized integrate_kbpp_band_local.F:158:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local.F:141:0: note: loop vectorized integrate_kbpp_band_local.F:141:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local.F:136:0: note: loop vectorized integrate_kbpp_band_local.F:136:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local.F:128:0: note: loop vectorized integrate_kbpp_band_local.F:128:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local.F:90:0: note: loop vectorized integrate_kbpp_band_local.F:90:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local.F:80:0: note: loop vectorized integrate_kbpp_band_local.F:80:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_band_local.F:80:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_nonlocal.F integrate_kbpp_band_nonlocal.F:179:0: note: loop vectorized integrate_kbpp_band_nonlocal.F:179:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_nonlocal.F:164:0: note: loop vectorized integrate_kbpp_band_nonlocal.F:164:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_nonlocal.F:140:0: note: loop vectorized integrate_kbpp_band_nonlocal.F:140:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_nonlocal.F:106:0: note: loop vectorized integrate_kbpp_band_nonlocal.F:106:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_nonlocal.F:196:0: note: loop vectorized integrate_kbpp_band_nonlocal.F:196:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_orb.F integrate_kbpp_band_orb.F:208:0: note: loop vectorized integrate_kbpp_band_orb.F:208:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_orb.F:187:0: note: loop vectorized integrate_kbpp_band_orb.F:187:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_orb.F:154:0: note: loop vectorized integrate_kbpp_band_orb.F:154:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_orb.F:107:0: note: loop vectorized integrate_kbpp_band_orb.F:107:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_orb.F:225:0: note: loop vectorized integrate_kbpp_band_orb.F:225:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_band_ray.F kbpp_band_ray.F:23:0: note: loop vectorized kbpp_band_ray.F:23:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_ray.F integrate_kbpp_band_ray.F:177:0: note: loop vectorized integrate_kbpp_band_ray.F:177:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:165:0: note: loop vectorized integrate_kbpp_band_ray.F:165:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:158:0: note: loop vectorized integrate_kbpp_band_ray.F:158:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:145:0: note: loop vectorized integrate_kbpp_band_ray.F:145:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:140:0: note: loop vectorized integrate_kbpp_band_ray.F:140:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:133:0: note: loop vectorized integrate_kbpp_band_ray.F:133:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:124:0: note: loop vectorized integrate_kbpp_band_ray.F:124:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:115:0: note: loop vectorized integrate_kbpp_band_ray.F:115:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:104:0: note: loop vectorized integrate_kbpp_band_ray.F:104:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:92:0: note: loop vectorized integrate_kbpp_band_ray.F:92:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_local_new.F integrate_kbpp_band_local_new.F:92:0: note: loop vectorized integrate_kbpp_band_local_new.F:92:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local_new.F:82:0: note: loop vectorized integrate_kbpp_band_local_new.F:82:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_band_local_new.F:82:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_nonlocal_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsp_stress_formatter_auto.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_band_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_local.F:115:0: note: loop vectorized integrate_kbpp_band_stress_local.F:115:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_local.F:104:0: note: loop vectorized integrate_kbpp_band_stress_local.F:104:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_local.F:74:0: note: loop vectorized integrate_kbpp_band_stress_local.F:74:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_band_stress_local.F:74:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_stress_nonlocal.F integrate_kbpp_band_stress_nonlocal.F:373:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:373:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_nonlocal.F:323:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:323:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_nonlocal.F:317:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:317:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_nonlocal.F:242:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:242:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_nonlocal.F:235:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:235:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_nonlocal.F:134:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:134:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_nonlocal.F:126:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:126:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_stress_ray.F integrate_kbpp_band_stress_ray.F:178:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:178:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:171:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:171:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:162:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:162:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:152:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:152:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:146:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:146:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:133:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:133:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:126:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:126:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:112:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:112:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:104:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:104:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_stress_local_new.F integrate_kbpp_band_stress_local_new.F:83:0: note: loop vectorized integrate_kbpp_band_stress_local_new.F:83:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_band_stress_local_new.F:83:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_stress_nonlocal_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG HGH_band_local.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG HGH_band_nonlocal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Tesseral_band.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Spherical_band.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hghpp_band.F hghpp_band.F:423:0: note: loop vectorized hghpp_band.F:423:0: note: loop versioned for vectorization because of possible aliasing hghpp_band.F:423:0: note: loop peeled for vectorization to enhance alignment hghpp_band.F:274:0: note: loop vectorized hghpp_band.F:274:0: note: loop versioned for vectorization because of possible aliasing hghpp_band.F:274:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rkbpp_band.F rkbpp_band.F:695:0: note: loop vectorized rkbpp_band.F:695:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:774:0: real*8 function sjx(x,l,cosx,sinx) ^ Warning: '__result_sjx' may be used uninitialized in this function [-Wmaybe-uninitialized] rkbpp_band.F:774:0: Warning: '__result_sjx' may be used uninitialized in this function [-Wmaybe-uninitialized] rkbpp_band.F:774:0: Warning: '__result_sjx' may be used uninitialized in this function [-Wmaybe-uninitialized] rkbpp_band.F:622:0: note: loop vectorized rkbpp_band.F:622:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:617:0: note: loop vectorized rkbpp_band.F:617:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:604:0: note: loop vectorized rkbpp_band.F:604:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:600:0: note: loop vectorized rkbpp_band.F:600:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:555:0: note: loop vectorized rkbpp_band.F:555:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:566:0: note: loop vectorized rkbpp_band.F:566:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:539:0: note: loop vectorized rkbpp_band.F:539:0: note: loop versioned for vectorization because of possible aliasing rkbpp_band.F:539:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:283:0: note: loop vectorized rkbpp_band.F:283:0: note: loop versioned for vectorization because of possible aliasing rkbpp_band.F:283:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:276:0: note: loop vectorized rkbpp_band.F:276:0: note: loop versioned for vectorization because of possible aliasing rkbpp_band.F:276:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_e_band.F kbpp_e_band.F:333:0: note: loop vectorized kbpp_e_band.F:333:0: note: loop versioned for vectorization because of possible aliasing kbpp_e_band.F:333:0: note: loop peeled for vectorization to enhance alignment kbpp_e_band.F:326:0: note: loop vectorized kbpp_e_band.F:326:0: note: loop versioned for vectorization because of possible aliasing kbpp_e_band.F:326:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal.F:202:0: note: loop vectorized integrate_kbpp_e_band_nonlocal.F:202:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_nonlocal.F:185:0: note: loop vectorized integrate_kbpp_e_band_nonlocal.F:185:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_nonlocal.F:161:0: note: loop vectorized integrate_kbpp_e_band_nonlocal.F:161:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_nonlocal.F:123:0: note: loop vectorized integrate_kbpp_e_band_nonlocal.F:123:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_nonlocal.F:222:0: note: loop vectorized integrate_kbpp_e_band_nonlocal.F:222:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_nonlocal_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_local.F integrate_kbpp_e_band_local.F:207:0: note: loop vectorized integrate_kbpp_e_band_local.F:207:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:200:0: note: loop vectorized integrate_kbpp_e_band_local.F:200:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:183:0: note: loop vectorized integrate_kbpp_e_band_local.F:183:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:178:0: note: loop vectorized integrate_kbpp_e_band_local.F:178:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:170:0: note: loop vectorized integrate_kbpp_e_band_local.F:170:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:118:0: note: loop vectorized integrate_kbpp_e_band_local.F:118:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:112:0: note: loop vectorized integrate_kbpp_e_band_local.F:112:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:94:0: note: loop vectorized integrate_kbpp_e_band_local.F:94:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_e_band_local.F:94:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_local_new.F integrate_kbpp_e_band_local_new.F:120:0: note: loop vectorized integrate_kbpp_e_band_local_new.F:120:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local_new.F:114:0: note: loop vectorized integrate_kbpp_e_band_local_new.F:114:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local_new.F:96:0: note: loop vectorized integrate_kbpp_e_band_local_new.F:96:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_e_band_local_new.F:96:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_ray.F integrate_kbpp_e_band_ray.F:201:0: note: loop vectorized integrate_kbpp_e_band_ray.F:201:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:186:0: note: loop vectorized integrate_kbpp_e_band_ray.F:186:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:179:0: note: loop vectorized integrate_kbpp_e_band_ray.F:179:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:166:0: note: loop vectorized integrate_kbpp_e_band_ray.F:166:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:161:0: note: loop vectorized integrate_kbpp_e_band_ray.F:161:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:154:0: note: loop vectorized integrate_kbpp_e_band_ray.F:154:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:144:0: note: loop vectorized integrate_kbpp_e_band_ray.F:144:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:133:0: note: loop vectorized integrate_kbpp_e_band_ray.F:133:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:120:0: note: loop vectorized integrate_kbpp_e_band_ray.F:120:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:106:0: note: loop vectorized integrate_kbpp_e_band_ray.F:106:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_e_band_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local.F:117:0: note: loop vectorized integrate_kbpp_e_band_stress_local.F:117:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_local.F:106:0: note: loop vectorized integrate_kbpp_e_band_stress_local.F:106:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_local.F:76:0: note: loop vectorized integrate_kbpp_e_band_stress_local.F:76:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_e_band_stress_local.F:76:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_local_new.F:97:0: note: loop vectorized integrate_kbpp_e_band_stress_local_new.F:97:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_e_band_stress_local_new.F:97:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_ray.F:199:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:199:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:192:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:192:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:182:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:182:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:170:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:170:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:164:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:164:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:149:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:149:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:142:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:142:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:126:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:126:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:118:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:118:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal.F:392:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:392:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:340:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:340:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:334:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:334:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:257:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:257:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:250:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:250:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:147:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:147:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:139:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:139:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_stress_nonlocal_new.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/kbpp' Making all in makepsi make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_wvfnc_new.F c_wvfnc_new.F:345:0: note: loop vectorized c_wvfnc_new.F:345:0: note: loop vectorized c_wvfnc_new.F:133:0: double complex cc,cx,sx,zx,zc ^ Warning: 'IMAGPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] c_wvfnc_new.F:262:0: dcpl_mb(cfull_indx+l2)=dconjg(cc) ^ Warning: 'REALPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_wvfnc_expander.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_v_wvfnc_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_reformat_c_wvfnc.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/makepsi' Making all in lib make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib' Making all in cpsp make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsp.F cpsp.F:642:0: integer occ_tag,occ_shift,occ1_shift ^ Warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F:638:0: integer nfft3d,G(3),npack1,npack ^ Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F:638:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F:638:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F:1228:0: integer occ1_tag,occ1_shift,occ_shift ^ Warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsp_relativistic.F cpsp_relativistic.F:383:0: integer nfft3d,G(3),npack1,npack ^ Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp_relativistic.F:383:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp_relativistic.F:383:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsp_projector.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsp_stress.F cpsp_stress.F:249:0: integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift ^ Warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_semicore.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_semicore_force.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/cpsp' Making all in ke make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cke.F cke.F:53:0: note: loop vectorized cke.F:53:0: note: loop versioned for vectorization because of possible aliasing cke.F:53:0: note: loop peeled for vectorization to enhance alignment cke.F:390:0: note: loop vectorized cke.F:390:0: note: loop versioned for vectorization because of possible aliasing cke.F:390:0: note: loop peeled for vectorization to enhance alignment make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a cke.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/ke' Making all in coulomb make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_coulomb.F c_coulomb.F:59:0: note: loop vectorized c_coulomb.F:59:0: note: loop versioned for vectorization because of possible aliasing c_coulomb.F:59:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_coulomb_screened.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a c_coulomb.o c_coulomb_screened.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/coulomb' Making all in electron make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_electron.F c_electron.F:320:33: > dbl_mb(psi1_shift), 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:847:0: note: loop vectorized c_electron.F:847:0: note: loop peeled for vectorization to enhance alignment c_electron.F:847:0: note: loop vectorized c_electron.F:847:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_H.F cpsi_H.F:148:0: if (dohfx) Hpsir_shift = Hpsir_shift + nshift1 ^ Warning: 'hpsir_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsi_H.F:33:0: integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 ^ note: 'hpsir_shift' was declared here make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a c_electron.o cpsi_H.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/electron' Making all in psi make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi.F cpsi.F:1760:0: note: loop vectorized cpsi.F:1760:0: note: loop versioned for vectorization because of possible aliasing cpsi.F:1760:0: note: loop peeled for vectorization to enhance alignment cpsi.F:2914:0: note: loop vectorized cpsi.F:2914:0: note: loop versioned for vectorization because of possible aliasing cpsi.F:2914:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_geodesic.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_lmbda.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_KS.F cpsi_KS.F:1279:19: > dbl_mb(psi1_shift+(i-1)*nshift)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:281:45: call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1385:19: > dbl_mb(psi_ptr)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:370:45: call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2333:46: call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1557:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG BGrsm.F BGrsm.F:254:0: note: loop vectorized BGrsm.F:254:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:180:0: note: loop vectorized BGrsm.F:180:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:161:0: note: loop vectorized BGrsm.F:161:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:180:0: note: loop vectorized BGrsm.F:180:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:236:0: note: loop vectorized BGrsm.F:236:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:254:0: note: loop vectorized BGrsm.F:254:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:312:0: note: loop vectorized BGrsm.F:312:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:418:0: note: loop vectorized BGrsm.F:418:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:479:0: note: loop vectorized BGrsm.F:479:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:609:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_spin2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_check.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_cpsi_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_cpsi_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_cpsi_write.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/psi' Making all in hfx make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_hfx.F band_hfx.F:356:24: > dbl_mb(cpsi_data_get_chnk(psi_r_tag, nb1)), 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:370:26: > dbl_mb(cpsi_data_get_chnk(psi_r_tag, nb1)), 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:421:26: > dbl_mb(cpsi_data_get_chnk(psi_r_tag,nb1)), 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:467:26: > dbl_mb(cpsi_data_get_chnk(psi_r_tag,nb1)), 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:497:24: > dbl_mb(cpsi_data_get_chnk(psi_r_tag, nb1)), 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:512:26: > dbl_mb(cpsi_data_get_chnk(psi_r_tag, nb1)), 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:598:21: > dbl_mb(cpsi_data_get_chnk(psi_r_tag,nbq2)), 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a band_hfx.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/hfx' Making all in Grsm_list make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_Grsm_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_lmbfgs.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a band_Grsm_list.o band_lmbfgs.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/Grsm_list' Making all in borbs make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG borbs.F borbs.F:611:24: > dbl_mb(tmp(1)),dbl_mb(tmp2(1)), 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG borb_projector.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a borbs.o borb_projector.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib/borbs' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/lib' Making all in dplot make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_dplot_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_dplot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_dplot_iteration.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/dplot' Making all in analysis make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_analysis.F band_analysis.F:482:0: note: loop vectorized band_analysis.F:482:0: note: loop peeled for vectorization to enhance alignment band_analysis.F:475:0: note: loop vectorized band_analysis.F:475:0: note: loop peeled for vectorization to enhance alignment band_analysis.F:335:0: WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), ^ Warning: 'sum_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] band_analysis.F:52:0: integer A_shift,sum_shift,psi_shift,eig_shift ^ note: 'sum_shift' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orb_pop_borb.F orb_pop_borb.F:197:0: note: loop vectorized make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a band_analysis.o orb_pop_borb.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band/analysis' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libband.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/band' Making all in ofpw make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ofpw_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_ofpw.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' Making all in minimizer make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ofpw_minimizer.F ofpw_minimizer.F:508:0: > 3*nion,dbl_mb(fion(1))) ^ Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] ofpw_minimizer.F:63:0: integer i,k,ia,nion,minimizer,mapping,mapping1d ^ note: 'nion' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ofpw_cgsd_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ofpw_cgminimize.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/minimizer' Making all in cpsd make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ofpwsd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inner_loop_ofpw.F inner_loop_ofpw.F:574:0: note: loop vectorized inner_loop_ofpw.F:224:0: note: loop vectorized inner_loop_ofpw.F:224:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec chi_lmbda.f make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/cpsd' Making all in lib make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib' Making all in chi make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chi_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chi_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chi_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chi_expander.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/chi' Making all in electron make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chi_H.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chi_Hv4.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a chi_H.o chi_Hv4.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/electron' Making all in ke make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/ke' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_thomasfermi.F make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/ke' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a v_thomasfermi.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/ke' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/ke' Making all in WGC make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wgc.F make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' make[5]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a wgc.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a make[5]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib/WGC' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib' make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw/lib' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a ofpw_energy.o task_ofpw.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libofpw.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw/ofpw' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpw.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpw.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpw.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwpw.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwpw' Making libraries in fft make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft' Making all in pfft1.0 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0' Making all in fftpack make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dcfftb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dcfftf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dcffti.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dcftb1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dcftf1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dcfti1.F dcfti1.F:16:0: if (j.gt.4) ntry = ntry + 2 ^ Warning: 'ntry' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssb.F dpssb.F:73:0: note: loop vectorized dpssb.F:73:0: note: loop versioned for vectorization because of possible aliasing dpssb.F:73:0: note: loop peeled for vectorization to enhance alignment dpssb.F:65:0: note: loop vectorized dpssb.F:65:0: note: loop versioned for vectorization because of possible aliasing dpssb.F:65:0: note: loop peeled for vectorization to enhance alignment dpssb.F:53:0: note: loop vectorized dpssb.F:53:0: note: loop versioned for vectorization because of possible aliasing dpssb.F:53:0: note: loop peeled for vectorization to enhance alignment dpssb.F:18:0: note: loop vectorized dpssb.F:18:0: note: loop versioned for vectorization because of possible aliasing dpssb.F:18:0: note: loop peeled for vectorization to enhance alignment dpssb.F:98:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssb2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssb3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssb4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssb5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssf.F dpssf.F:73:0: note: loop vectorized dpssf.F:73:0: note: loop versioned for vectorization because of possible aliasing dpssf.F:73:0: note: loop peeled for vectorization to enhance alignment dpssf.F:65:0: note: loop vectorized dpssf.F:65:0: note: loop versioned for vectorization because of possible aliasing dpssf.F:65:0: note: loop peeled for vectorization to enhance alignment dpssf.F:53:0: note: loop vectorized dpssf.F:53:0: note: loop versioned for vectorization because of possible aliasing dpssf.F:53:0: note: loop peeled for vectorization to enhance alignment dpssf.F:18:0: note: loop vectorized dpssf.F:18:0: note: loop versioned for vectorization because of possible aliasing dpssf.F:18:0: note: loop peeled for vectorization to enhance alignment dpssf.F:98:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssf2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssf3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssf4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssf5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM drfftb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM drfftf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM drffti.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM drftb1.F drftb1.F:97:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM drftf1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM drfti1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradb2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradb3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradb4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradb5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradbg.F dradbg.F:210:0: note: loop vectorized dradbg.F:148:0: note: loop vectorized dradbg.F:148:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:148:0: note: loop peeled for vectorization to enhance alignment dradbg.F:134:0: note: loop vectorized dradbg.F:134:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:131:0: note: loop vectorized dradbg.F:131:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:131:0: note: loop peeled for vectorization to enhance alignment dradbg.F:119:0: note: loop vectorized dradbg.F:119:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:119:0: note: loop peeled for vectorization to enhance alignment dradbg.F:106:0: note: loop vectorized dradbg.F:106:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:106:0: note: loop peeled for vectorization to enhance alignment dradbg.F:51:0: note: loop vectorized dradbg.F:51:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:32:0: note: loop vectorized dradbg.F:32:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:33:0: note: basic block vectorized dradbg.F:52:0: note: basic block vectorized dradbg.F:135:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradf2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradf3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradf4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradf5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradfg.F dradfg.F:407:0: note: loop vectorized dradfg.F:407:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:373:0: note: loop vectorized dradfg.F:373:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:336:0: note: loop vectorized dradfg.F:336:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:319:0: note: loop vectorized dradfg.F:319:0: note: loop peeled for vectorization to enhance alignment dradfg.F:305:0: note: loop vectorized dradfg.F:305:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:292:0: note: loop vectorized dradfg.F:292:0: note: loop peeled for vectorization to enhance alignment dradfg.F:279:0: note: loop vectorized dradfg.F:279:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:279:0: note: loop peeled for vectorization to enhance alignment dradfg.F:266:0: note: loop vectorized dradfg.F:266:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:266:0: note: loop peeled for vectorization to enhance alignment dradfg.F:240:0: note: loop vectorized dradfg.F:61:0: note: loop vectorized dradfg.F:306:0: note: basic block vectorized dradfg.F:338:0: note: basic block vectorized dradfg.F:374:0: note: basic block vectorized dradfg.F:408:0: note: basic block vectorized make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.a dcfftb.o dcfftf.o dcffti.o dcftb1.o dcftf1.o dcfti1.o dpssb.o dpssb2.o dpssb3.o dpssb4.o dpssb5.o dpssf.o dpssf2.o dpssf3.o dpssf4.o dpssf5.o drfftb.o drfftf.o drffti.o drftb1.o drftf1.o drfti1.o dradb2.o dradb3.o dradb4.o dradb5.o dradbg.o dradf2.o dradf3.o dradf4.o dradf5.o dradfg.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/fftpack' Making all in pfft make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK blktrn.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK drain.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK fillup.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK mapfil.F ftn -c -m64 -ffast-math 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-I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK prlst2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK xstop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK pairup.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK gexit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK igdiff.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK lstcnt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK lstind.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK pfft.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK pfft3d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK prfft3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK prfft.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK prffti.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK chk3d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK mfftc1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK mfftr1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK mcfftr.F mcfftr.F:93:0: note: basic block vectorized mcfftr.F:113:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. 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-Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK pfft1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK wrkspc2.F make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' make[4]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.a make[4]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0/pfft' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfft1.0' Making all in pfftwrap make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DEMSLFFT nwfft3d.F nwfft3d.F:240:0: note: loop vectorized nwfft3d.F:240:0: note: loop peeled for vectorization to enhance alignment nwfft3d.F:270:0: note: loop vectorized nwfft3d.F:270:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.a nwfft3d.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libpfft.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft/pfftwrap' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/fft' Making libraries in analyz make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_angle.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_atrad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_bond.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_chgdst.F ana_chgdst.F:12:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_data.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_define.F ana_define.F:250:0: note: loop vectorized ana_define.F:250:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_diel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_esppt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_finish.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_groups.F ana_groups.F:76:0: note: loop vectorized ana_groups.F:444:0: xb(3)=xb(3)+x(ia,3) ^ Warning: 'xb[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:443:0: xb(2)=xb(2)+x(ia,2) ^ Warning: 'xb[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:442:0: xb(1)=xb(1)+x(ia,1) ^ Warning: 'xb[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:433:0: xa(3)=xa(3)+x(ia,3) ^ Warning: 'xa[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:432:0: xa(2)=xa(2)+x(ia,2) ^ Warning: 'xa[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:431:0: xa(1)=xa(1)+x(ia,1) ^ Warning: 'xa[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_hbond.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_index.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_inirms.F ana_inirms.F:14:0: note: loop vectorized ana_inirms.F:14:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_initx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_pltgrd.F ana_pltgrd.F:292:0: note: loop vectorized ana_pltgrd.F:292:0: note: loop peeled for vectorization to enhance alignment ana_pltgrd.F:128:0: note: loop vectorized ana_pltgrd.F:128:0: note: loop vectorized ana_pltgrd.F:128:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_rama.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_rdhdr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_rdf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_rdfram.F ana_rdfram.F:269:0: note: loop vectorized ana_rdfram.F:269:0: note: loop versioned for vectorization because of possible aliasing ana_rdfram.F:269:0: note: loop peeled for vectorization to enhance alignment ana_rdfram.F:263:0: note: loop vectorized ana_rdfram.F:263:0: note: loop versioned for vectorization because of possible aliasing ana_rdfram.F:263:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_rdref.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_rdtop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_report.F ana_report.F:135:0: + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) ^ Warning: 'timf' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_rmsdev.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_rtdbin.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_select.F ana_select.F:83:0: note: loop vectorized ana_select.F:83:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_sizref.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_tag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_task.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_torsion.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_wtfram.F ana_wtfram.F:323:0: note: loop vectorized ana_wtfram.F:312:0: note: loop vectorized ana_wtfram.F:312:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_wthdr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_wrtpdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_wrtxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_xaver.F ana_xaver.F:26:0: note: loop vectorized ana_xaver.F:26:0: note: loop peeled for vectorization to enhance alignment ana_xaver.F:56:0: note: loop vectorized ana_xaver.F:56:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ana_covar.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG analyz.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libanalyze.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libanalyze.a ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libanalyze.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libanalyze.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libanalyze.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/analyz' Making libraries in nwmd make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC nwmd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC md_start.F md_start.F:1323:44: if(nserie.gt.0) call md_rdrest(lfnrst,filrst) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_start.F:1993:0: note: loop vectorized md_start.F:319:0: root=filnam(1:ibl)//gid ^ Warning: 'ibl' may be used uninitialized in this function [-Wmaybe-uninitialized] md_start.F:12:0: integer iun,ibl ^ note: 'ibl' was declared here md_start.F:328:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC md_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC md_main.F md_main.F:647:28: call md_wrtrst(lfnqrs,filqrs,.false.) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:1203:28: call md_wrtrst(lfnqrs,filqrs,.false.) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:1310:28: call md_wrtrst(lfnrst,rfile,.true.) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:1608:57: if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,rfile,.true.) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:2005:0: note: loop vectorized md_main.F:2005:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2005:0: note: loop peeled for vectorization to enhance alignment md_main.F:2017:0: note: loop vectorized md_main.F:2017:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2017:0: note: loop peeled for vectorization to enhance alignment md_main.F:2012:0: note: loop vectorized md_main.F:2012:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2012:0: note: loop peeled for vectorization to enhance alignment md_main.F:2065:0: note: loop vectorized md_main.F:2065:0: note: loop peeled for vectorization to enhance alignment md_main.F:2050:0: note: loop vectorized md_main.F:2050:0: note: loop peeled for vectorization to enhance alignment md_main.F:2284:0: note: loop vectorized md_main.F:2284:0: note: loop peeled for vectorization to enhance alignment md_main.F:2276:0: note: loop vectorized md_main.F:2276:0: note: loop peeled for vectorization to enhance alignment md_main.F:343:0: note: loop vectorized md_main.F:343:0: note: loop versioned for vectorization because of possible aliasing md_main.F:343:0: note: loop peeled for vectorization to enhance alignment md_main.F:334:0: note: loop vectorized md_main.F:334:0: note: loop versioned for vectorization because of possible aliasing md_main.F:334:0: note: loop peeled for vectorization to enhance alignment md_main.F:2696:0: note: loop vectorized md_main.F:2696:0: note: loop peeled for vectorization to enhance alignment md_main.F:2684:0: note: loop vectorized md_main.F:2684:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2684:0: note: loop peeled for vectorization to enhance alignment md_main.F:2675:0: note: loop vectorized md_main.F:2675:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2675:0: note: loop peeled for vectorization to enhance alignment md_main.F:2663:0: note: loop vectorized md_main.F:2663:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2663:0: note: loop peeled for vectorization to enhance alignment md_main.F:2654:0: note: loop vectorized md_main.F:2654:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2654:0: note: loop peeled for vectorization to enhance alignment md_main.F:2608:0: note: loop vectorized md_main.F:2608:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2608:0: note: loop peeled for vectorization to enhance alignment md_main.F:2597:0: note: loop vectorized md_main.F:2597:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2597:0: note: loop peeled for vectorization to enhance alignment md_main.F:2587:0: note: loop vectorized md_main.F:2587:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2587:0: note: loop peeled for vectorization to enhance alignment md_main.F:2578:0: note: loop vectorized md_main.F:2578:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2578:0: note: loop peeled for vectorization to enhance alignment md_main.F:2553:0: note: loop vectorized md_main.F:2553:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2553:0: note: loop peeled for vectorization to enhance alignment md_main.F:2542:0: note: loop vectorized md_main.F:2542:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2542:0: note: loop peeled for vectorization to enhance alignment md_main.F:2532:0: note: loop vectorized md_main.F:2532:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2532:0: note: loop peeled for vectorization to enhance alignment md_main.F:2523:0: note: loop vectorized md_main.F:2523:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2523:0: note: loop peeled for vectorization to enhance alignment md_main.F:2111:0: note: loop vectorized md_main.F:2111:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2111:0: note: loop peeled for vectorization to enhance alignment md_main.F:2245:0: note: loop vectorized md_main.F:2245:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2245:0: note: loop peeled for vectorization to enhance alignment md_main.F:2241:0: note: loop vectorized md_main.F:2241:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2241:0: note: loop peeled for vectorization to enhance alignment md_main.F:1149:0: note: loop vectorized md_main.F:1149:0: note: loop peeled for vectorization to enhance alignment md_main.F:1138:0: note: loop vectorized md_main.F:1138:0: note: loop peeled for vectorization to enhance alignment md_main.F:996:0: note: loop vectorized md_main.F:996:0: note: loop peeled for vectorization to enhance alignment md_main.F:987:0: note: loop vectorized md_main.F:987:0: note: loop peeled for vectorization to enhance alignment md_main.F:888:0: note: loop vectorized md_main.F:888:0: note: loop peeled for vectorization to enhance alignment md_main.F:878:0: note: loop vectorized md_main.F:878:0: note: loop peeled for vectorization to enhance alignment md_main.F:845:0: note: loop vectorized md_main.F:845:0: note: loop peeled for vectorization to enhance alignment md_main.F:836:0: note: loop vectorized md_main.F:836:0: note: loop peeled for vectorization to enhance alignment md_main.F:478:0: note: loop vectorized md_main.F:478:0: note: loop versioned for vectorization because of possible aliasing md_main.F:478:0: note: loop peeled for vectorization to enhance alignment md_main.F:478:0: note: loop vectorized md_main.F:478:0: note: loop versioned for vectorization because of possible aliasing md_main.F:478:0: note: loop peeled for vectorization to enhance alignment md_main.F:455:0: note: loop vectorized md_main.F:455:0: note: loop versioned for vectorization because of possible aliasing md_main.F:455:0: note: loop peeled for vectorization to enhance alignment md_main.F:455:0: note: loop vectorized md_main.F:455:0: note: loop versioned for vectorization because of possible aliasing md_main.F:455:0: note: loop peeled for vectorization to enhance alignment md_main.F:343:0: note: loop vectorized md_main.F:343:0: note: loop versioned for vectorization because of possible aliasing md_main.F:343:0: note: loop peeled for vectorization to enhance alignment md_main.F:334:0: note: loop vectorized md_main.F:334:0: note: loop versioned for vectorization because of possible aliasing md_main.F:334:0: note: loop peeled for vectorization to enhance alignment md_main.F:2971:0: note: loop vectorized md_main.F:2971:0: note: loop versioned for vectorization because of possible aliasing md_main.F:2971:0: note: loop peeled for vectorization to enhance alignment md_main.F:343:0: note: loop vectorized md_main.F:343:0: note: loop versioned for vectorization because of possible aliasing md_main.F:343:0: note: loop peeled for vectorization to enhance alignment md_main.F:334:0: note: loop vectorized md_main.F:334:0: note: loop versioned for vectorization because of possible aliasing md_main.F:334:0: note: loop peeled for vectorization to enhance alignment md_main.F:343:0: note: loop vectorized md_main.F:343:0: note: loop versioned for vectorization because of possible aliasing md_main.F:343:0: note: loop peeled for vectorization to enhance alignment md_main.F:334:0: note: loop vectorized md_main.F:334:0: note: loop versioned for vectorization because of possible aliasing md_main.F:334:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC md_finish.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC prp_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC prp_main.F prp_main.F:1039:0: note: loop vectorized prp_main.F:1006:0: note: loop vectorized prp_main.F:1258:0: note: loop vectorized prp_main.F:1258:0: note: loop versioned for vectorization because of possible aliasing prp_main.F:1258:0: note: loop peeled for vectorization to enhance alignment prp_main.F:457:0: note: loop vectorized prp_main.F:457:0: note: loop peeled for vectorization to enhance alignment prp_main.F:136:0: note: loop vectorized prp_main.F:136:0: note: loop peeled for vectorization to enhance alignment prp_main.F:101:0: note: loop vectorized prp_main.F:101:0: note: loop peeled for vectorization to enhance alignment prp_main.F:90:0: note: loop vectorized prp_main.F:90:0: note: loop peeled for vectorization to enhance alignment prp_main.F:61:0: note: loop vectorized prp_main.F:61:0: note: loop versioned for vectorization because of possible aliasing prp_main.F:61:0: note: loop peeled for vectorization to enhance alignment prp_main.F:1258:0: note: loop vectorized prp_main.F:1258:0: note: loop versioned for vectorization because of possible aliasing prp_main.F:1258:0: note: loop peeled for vectorization to enhance alignment make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwmd.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwmd.a nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwmd.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwmd.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libnwmd.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/nwmd' Making libraries in cafe make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_d.F cf_d.F:230:0: note: loop vectorized cf_d.F:230:0: note: loop versioned for vectorization because of possible aliasing cf_d.F:230:0: note: loop peeled for vectorization to enhance alignment cf_d.F:146:0: note: loop vectorized cf_d.F:146:0: note: loop versioned for vectorization because of possible aliasing cf_d.F:146:0: note: loop peeled for vectorization to enhance alignment cf_d.F:94:0: note: loop vectorized cf_d.F:94:0: note: loop versioned for vectorization because of possible aliasing cf_d.F:94:0: note: loop peeled for vectorization to enhance alignment cf_d.F:609:0: note: loop vectorized cf_d.F:609:0: note: loop versioned for vectorization because of possible aliasing cf_d.F:609:0: note: loop peeled for vectorization to enhance alignment cf_d.F:603:0: note: loop vectorized cf_d.F:603:0: note: loop versioned for vectorization because of possible aliasing cf_d.F:603:0: note: loop peeled for vectorization to enhance alignment cf_d.F:584:0: note: loop vectorized cf_d.F:584:0: note: loop versioned for vectorization because of possible aliasing cf_d.F:584:0: note: loop peeled for vectorization to enhance alignment cf_d.F:511:0: note: loop vectorized cf_d.F:511:0: note: loop versioned for vectorization because of possible aliasing cf_d.F:511:0: note: loop peeled for vectorization to enhance alignment cf_d.F:505:0: note: loop vectorized cf_d.F:505:0: note: loop versioned for vectorization because of possible aliasing cf_d.F:505:0: note: loop peeled for vectorization to enhance alignment cf_d.F:383:0: note: loop vectorized cf_d.F:383:0: note: loop versioned for vectorization because of possible aliasing cf_d.F:383:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_fp.F cf_f.fh:699:0: note: loop vectorized cf_f.fh:699:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:676:0: note: loop vectorized cf_f.fh:676:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:662:0: note: loop vectorized cf_f.fh:662:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:639:0: note: loop vectorized cf_f.fh:639:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:625:0: note: loop vectorized cf_f.fh:625:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:614:0: note: loop vectorized cf_f.fh:614:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:618:0: note: loop vectorized cf_f.fh:618:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:601:0: note: loop vectorized cf_f.fh:601:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:509:0: note: loop vectorized cf_f.fh:509:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:497:0: note: loop vectorized cf_f.fh:497:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:497:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:503:0: note: loop vectorized cf_f.fh:503:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:503:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:483:0: note: loop vectorized cf_f.fh:483:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:483:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:489:0: note: loop vectorized cf_f.fh:489:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:489:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:436:0: note: loop vectorized cf_f.fh:436:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:412:0: note: loop vectorized cf_f.fh:412:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:412:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:373:0: note: loop vectorized cf_f.fh:373:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:373:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:367:0: note: loop vectorized cf_f.fh:367:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:367:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1498:0: note: loop vectorized cf_f.fh:1498:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1487:0: note: loop vectorized cf_f.fh:1487:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:1487:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1275:0: note: loop vectorized cf_f.fh:1275:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:1275:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1269:0: note: loop vectorized cf_f.fh:1269:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:1269:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1245:0: note: loop vectorized cf_f.fh:1245:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:1245:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1191:0: note: loop vectorized cf_f.fh:1191:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:1191:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1183:0: note: loop vectorized cf_f.fh:1183:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:2113:0: note: loop vectorized cf_f.fh:2113:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:2113:0: note: loop vectorized cf_f.fh:2113:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_f.F cf_f.fh:699:0: note: loop vectorized cf_f.fh:699:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:676:0: note: loop vectorized cf_f.fh:676:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:662:0: note: loop vectorized cf_f.fh:662:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:639:0: note: loop vectorized cf_f.fh:639:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:625:0: note: loop vectorized cf_f.fh:625:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:614:0: note: loop vectorized cf_f.fh:614:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:618:0: note: loop vectorized cf_f.fh:618:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:601:0: note: loop vectorized cf_f.fh:601:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:509:0: note: loop vectorized cf_f.fh:509:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:497:0: note: loop vectorized cf_f.fh:497:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:497:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:503:0: note: loop vectorized cf_f.fh:503:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:503:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:483:0: note: loop vectorized cf_f.fh:483:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:483:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:489:0: note: loop vectorized cf_f.fh:489:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:489:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:471:0: note: loop vectorized cf_f.fh:471:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:454:0: note: loop vectorized cf_f.fh:454:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:459:0: note: loop vectorized cf_f.fh:459:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:436:0: note: loop vectorized cf_f.fh:436:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:412:0: note: loop vectorized cf_f.fh:412:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:412:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:373:0: note: loop vectorized cf_f.fh:373:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:373:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:367:0: note: loop vectorized cf_f.fh:367:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:367:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1498:0: note: loop vectorized cf_f.fh:1498:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1487:0: note: loop vectorized cf_f.fh:1487:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:1487:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1328:0: note: loop vectorized cf_f.fh:1328:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1275:0: note: loop vectorized cf_f.fh:1275:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:1275:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1269:0: note: loop vectorized cf_f.fh:1269:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:1269:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1245:0: note: loop vectorized cf_f.fh:1245:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:1245:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1191:0: note: loop vectorized cf_f.fh:1191:0: note: loop versioned for vectorization because of possible aliasing cf_f.fh:1191:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:1183:0: note: loop vectorized cf_f.fh:1183:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:2113:0: note: loop vectorized cf_f.fh:2113:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:2113:0: note: loop vectorized cf_f.fh:2113:0: note: loop peeled for vectorization to enhance alignment cf_f.fh:4664:0: elseif(isrx.lt.0) then ^ Warning: 'isrx' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_finish.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_forces.F cf_forces.fh:102:0: note: basic block vectorized cf_forces.fh:9:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_forcep.F cf_forces.fh:102:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_hopping.F cf_hopping.F:110:0: note: basic block vectorized cf_hopping.F:120:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_induce.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_init.F cf_init.F:2193:0: note: loop vectorized cf_init.F:2193:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:2193:0: note: loop peeled for vectorization to enhance alignment cf_init.F:2188:0: note: loop vectorized cf_init.F:2188:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:2188:0: note: loop peeled for vectorization to enhance alignment cf_init.F:2183:0: note: loop vectorized cf_init.F:2183:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:2183:0: note: loop peeled for vectorization to enhance alignment cf_init.F:2178:0: note: loop vectorized cf_init.F:2178:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:2178:0: note: loop peeled for vectorization to enhance alignment cf_init.F:2173:0: note: loop vectorized cf_init.F:2173:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:2173:0: note: loop peeled for vectorization to enhance alignment cf_init.F:2168:0: note: loop vectorized cf_init.F:2168:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:2168:0: note: loop peeled for vectorization to enhance alignment cf_init.F:2163:0: note: loop vectorized cf_init.F:2163:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:2163:0: note: loop peeled for vectorization to enhance alignment cf_init.F:2158:0: note: loop vectorized cf_init.F:2158:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:2158:0: note: loop peeled for vectorization to enhance alignment cf_init.F:2153:0: note: loop vectorized cf_init.F:2153:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:2153:0: note: loop peeled for vectorization to enhance alignment cf_init.F:2111:0: real*8 tlam(3),rlam(3),slam(3) ^ Warning: 'rlam[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] cf_init.F:2111:0: Warning: 'rlam[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] cf_init.F:2111:0: Warning: 'rlam[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] cf_init.F:1639:0: note: loop vectorized cf_init.F:1639:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:1639:0: note: loop peeled for vectorization to enhance alignment cf_init.F:1281:0: note: loop vectorized cf_init.F:1281:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:1281:0: note: loop peeled for vectorization to enhance alignment cf_init.F:1223:0: note: loop vectorized cf_init.F:1223:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:1223:0: note: loop peeled for vectorization to enhance alignment cf_init.F:1218:0: note: loop vectorized cf_init.F:1218:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:1218:0: note: loop peeled for vectorization to enhance alignment cf_init.F:1223:0: note: loop vectorized cf_init.F:1223:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:1223:0: note: loop peeled for vectorization to enhance alignment cf_init.F:1218:0: note: loop vectorized cf_init.F:1218:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:1218:0: note: loop peeled for vectorization to enhance alignment cf_init.F:1281:0: note: loop vectorized cf_init.F:1281:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:1281:0: note: loop peeled for vectorization to enhance alignment cf_init.F:1223:0: note: loop vectorized cf_init.F:1223:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:1223:0: note: loop peeled for vectorization to enhance alignment cf_init.F:1218:0: note: loop vectorized cf_init.F:1218:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:1218:0: note: loop peeled for vectorization to enhance alignment cf_init.F:1281:0: note: loop vectorized cf_init.F:1281:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:1281:0: note: loop peeled for vectorization to enhance alignment cf_init.F:1240:0: note: loop vectorized cf_init.F:1240:0: note: loop versioned for vectorization because of possible aliasing cf_init.F:1240:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_list.F cf_list.F:46:0: note: loop vectorized cf_list.F:46:0: note: loop peeled for vectorization to enhance alignment cf_list.F:40:0: note: loop vectorized cf_list.F:40:0: note: loop versioned for vectorization because of possible aliasing cf_list.F:40:0: note: loop peeled for vectorization to enhance alignment cf_list.F:325:0: note: loop vectorized cf_list.F:325:0: note: loop peeled for vectorization to enhance alignment cf_list.F:303:0: note: loop vectorized cf_list.F:303:0: note: loop peeled for vectorization to enhance alignment cf_list.F:236:0: note: loop vectorized cf_list.F:236:0: note: loop peeled for vectorization to enhance alignment cf_list.F:230:0: note: loop vectorized cf_list.F:230:0: note: loop versioned for vectorization because of possible aliasing cf_list.F:230:0: note: loop peeled for vectorization to enhance alignment cf_list.F:225:0: note: loop vectorized cf_list.F:225:0: note: loop versioned for vectorization because of possible aliasing cf_list.F:225:0: note: loop peeled for vectorization to enhance alignment cf_list.F:153:0: note: loop vectorized cf_list.F:153:0: note: loop peeled for vectorization to enhance alignment cf_list.F:147:0: note: loop vectorized cf_list.F:147:0: note: loop versioned for vectorization because of possible aliasing cf_list.F:147:0: note: loop peeled for vectorization to enhance alignment cf_list.F:837:0: note: loop vectorized cf_list.F:837:0: note: loop versioned for vectorization because of possible aliasing cf_list.F:837:0: note: loop peeled for vectorization to enhance alignment cf_list.F:720:0: note: loop vectorized cf_list.F:720:0: note: loop peeled for vectorization to enhance alignment cf_list.F:720:0: note: loop vectorized cf_list.F:720:0: note: loop peeled for vectorization to enhance alignment cf_list.F:521:0: note: loop vectorized cf_list.F:521:0: note: loop peeled for vectorization to enhance alignment cf_list.F:515:0: note: loop vectorized cf_list.F:515:0: note: loop versioned for vectorization because of possible aliasing cf_list.F:515:0: note: loop peeled for vectorization to enhance alignment cf_list.F:510:0: note: loop vectorized cf_list.F:510:0: note: loop versioned for vectorization because of possible aliasing cf_list.F:510:0: note: loop peeled for vectorization to enhance alignment cf_list.F:414:0: note: loop vectorized cf_list.F:414:0: note: loop peeled for vectorization to enhance alignment cf_list.F:408:0: note: loop vectorized cf_list.F:408:0: note: loop versioned for vectorization because of possible aliasing cf_list.F:408:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_main.F cf_main.F:4037:0: note: loop vectorized cf_main.F:4125:0: note: loop vectorized cf_main.F:4043:0: note: loop vectorized cf_main.F:3998:0: note: loop vectorized cf_main.F:3953:0: note: loop vectorized cf_main.F:3912:0: note: loop vectorized cf_main.F:3783:0: note: loop vectorized cf_main.F:3266:0: note: loop vectorized cf_main.F:3266:0: note: loop peeled for vectorization to enhance alignment cf_main.F:3258:0: note: loop vectorized cf_main.F:3258:0: note: loop peeled for vectorization to enhance alignment cf_main.F:3032:0: note: loop vectorized cf_main.F:3032:0: note: loop peeled for vectorization to enhance alignment cf_main.F:3037:0: note: loop vectorized cf_main.F:3037:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2680:0: note: loop vectorized cf_main.F:2680:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:2680:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2669:0: note: loop vectorized cf_main.F:2669:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:2669:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2657:0: note: loop vectorized cf_main.F:2657:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2651:0: note: loop vectorized cf_main.F:2651:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2578:0: note: loop vectorized cf_main.F:2578:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2535:0: note: loop vectorized cf_main.F:2535:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2526:0: note: loop vectorized cf_main.F:2526:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2307:0: note: loop vectorized cf_main.F:2307:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2296:0: note: loop vectorized cf_main.F:2296:0: note: loop peeled for vectorization to enhance alignment cf_main.F:1671:0: note: loop vectorized cf_main.F:1671:0: note: loop peeled for vectorization to enhance alignment cf_main.F:1614:0: note: basic block vectorized cf_main.F:1520:0: note: loop vectorized cf_main.F:1520:0: note: loop peeled for vectorization to enhance alignment cf_main.F:1197:0: note: loop vectorized cf_main.F:1197:0: note: loop peeled for vectorization to enhance alignment cf_main.F:1175:0: note: loop vectorized cf_main.F:1175:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:1175:0: note: loop peeled for vectorization to enhance alignment cf_main.F:1054:0: note: loop vectorized cf_main.F:1054:0: note: loop peeled for vectorization to enhance alignment cf_main.F:1061:0: note: loop vectorized cf_main.F:1061:0: note: loop peeled for vectorization to enhance alignment cf_main.F:747:0: note: loop vectorized cf_main.F:747:0: note: loop peeled for vectorization to enhance alignment cf_main.F:743:0: note: loop vectorized cf_main.F:743:0: note: loop peeled for vectorization to enhance alignment cf_main.F:1232:0: note: loop vectorized cf_main.F:1232:0: note: loop peeled for vectorization to enhance alignment cf_main.F:1232:0: note: loop vectorized cf_main.F:1232:0: note: loop peeled for vectorization to enhance alignment cf_main.F:337:0: note: loop vectorized cf_main.F:337:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:337:0: note: loop peeled for vectorization to enhance alignment cf_main.F:317:0: note: loop vectorized cf_main.F:317:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:317:0: note: loop peeled for vectorization to enhance alignment cf_main.F:227:0: note: loop vectorized cf_main.F:227:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:227:0: note: loop peeled for vectorization to enhance alignment cf_main.F:247:0: note: loop vectorized cf_main.F:247:0: note: loop peeled for vectorization to enhance alignment cf_main.F:337:0: note: loop vectorized cf_main.F:337:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:337:0: note: loop peeled for vectorization to enhance alignment cf_main.F:317:0: note: loop vectorized cf_main.F:317:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:317:0: note: loop peeled for vectorization to enhance alignment cf_main.F:390:0: note: loop vectorized cf_main.F:390:0: note: loop peeled for vectorization to enhance alignment cf_main.F:440:0: note: loop vectorized cf_main.F:440:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:440:0: note: loop peeled for vectorization to enhance alignment cf_main.F:440:0: note: loop vectorized cf_main.F:440:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:440:0: note: loop peeled for vectorization to enhance alignment cf_main.F:428:0: note: loop vectorized cf_main.F:428:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:428:0: note: loop peeled for vectorization to enhance alignment cf_main.F:428:0: note: loop vectorized cf_main.F:428:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:428:0: note: loop peeled for vectorization to enhance alignment cf_main.F:1232:0: note: loop vectorized cf_main.F:1232:0: note: loop peeled for vectorization to enhance alignment cf_main.F:747:0: note: loop vectorized cf_main.F:747:0: note: loop peeled for vectorization to enhance alignment cf_main.F:743:0: note: loop vectorized cf_main.F:743:0: note: loop peeled for vectorization to enhance alignment cf_main.F:1011:0: note: loop vectorized cf_main.F:1011:0: note: loop peeled for vectorization to enhance alignment cf_main.F:842:0: note: loop vectorized cf_main.F:842:0: note: loop peeled for vectorization to enhance alignment cf_main.F:827:0: note: loop vectorized cf_main.F:812:0: note: loop vectorized cf_main.F:1428:0: note: loop vectorized cf_main.F:1428:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:1428:0: note: loop peeled for vectorization to enhance alignment cf_main.F:1428:0: note: loop vectorized cf_main.F:1428:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:1428:0: note: loop peeled for vectorization to enhance alignment cf_main.F:1459:0: note: loop vectorized cf_main.F:1459:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:1459:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2307:0: note: loop vectorized cf_main.F:2307:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2296:0: note: loop vectorized cf_main.F:2296:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2430:0: note: loop vectorized cf_main.F:2430:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2423:0: note: loop vectorized cf_main.F:2423:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2418:0: note: loop vectorized cf_main.F:2418:0: note: loop versioned for vectorization because of possible aliasing cf_main.F:2418:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2407:0: note: loop vectorized cf_main.F:2407:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2494:0: note: loop vectorized cf_main.F:2494:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2490:0: note: loop vectorized cf_main.F:2490:0: note: loop peeled for vectorization to enhance alignment cf_main.F:2476:0: note: loop vectorized cf_main.F:2476:0: note: loop peeled for vectorization to enhance alignment cf_main.F:3783:0: note: loop vectorized cf_main.F:3912:0: note: loop vectorized cf_main.F:3998:0: note: loop vectorized cf_main.F:4043:0: note: loop vectorized cf_main.F:4281:0: note: loop vectorized cf_main.F:4281:0: note: loop peeled for vectorization to enhance alignment cf_main.F:4272:0: note: loop vectorized cf_main.F:4272:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_pairs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_pbc.F cf_pbc.F:29:0: note: loop vectorized cf_pbc.F:29:0: note: loop versioned for vectorization because of possible aliasing cf_pbc.F:29:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_rdgeom.F cf_rdgeom.F:1:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_shake.F cf_shake.F:101:0: note: basic block vectorized cf_shake.F:382:0: note: loop vectorized cf_shake.F:382:0: note: loop peeled for vectorization to enhance alignment cf_shake.F:365:0: note: loop vectorized cf_shake.F:365:0: note: loop peeled for vectorization to enhance alignment cf_shake.F:348:0: note: loop vectorized cf_shake.F:348:0: note: loop peeled for vectorization to enhance alignment cf_shake.F:281:0: note: loop vectorized cf_shake.F:281:0: note: loop peeled for vectorization to enhance alignment cf_shake.F:275:0: note: loop vectorized cf_shake.F:275:0: note: loop peeled for vectorization to enhance alignment cf_shake.F:258:0: note: loop vectorized cf_shake.F:258:0: note: loop versioned for vectorization because of possible aliasing cf_shake.F:258:0: note: loop peeled for vectorization to enhance alignment cf_shake.F:249:0: note: loop vectorized cf_shake.F:249:0: note: loop versioned for vectorization because of possible aliasing cf_shake.F:249:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_grid.F cf_grid.F:325:0: note: loop vectorized cf_grid.F:325:0: note: loop peeled for vectorization to enhance alignment cf_grid.F:293:0: note: loop vectorized cf_grid.F:293:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_rdtop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cf_uhop.F cf_uhop.F:80:0: note: loop vectorized cf_uhop.F:80:0: note: loop peeled for vectorization to enhance alignment cf_uhop.F:74:0: note: loop vectorized cf_uhop.F:74:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pme_init.F pme_init.F:393:0: note: loop vectorized pme_init.F:393:0: note: loop peeled for vectorization to enhance alignment pme_init.F:246:0: note: loop vectorized pme_init.F:246:0: note: loop peeled for vectorization to enhance alignment pme_init.F:246:0: note: loop vectorized pme_init.F:246:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pme_fft.F pme_fft.F:103:0: note: loop vectorized pme_fft.F:103:0: note: loop peeled for vectorization to enhance alignment pme_fft.F:132:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pme_grid.F pme_grid.F:317:0: note: loop vectorized pme_grid.F:317:0: note: loop versioned for vectorization because of possible aliasing pme_grid.F:317:0: note: loop peeled for vectorization to enhance alignment make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcafe.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcafe.a cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcafe.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcafe.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libcafe.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cafe' Making libraries in space make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp_main.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libspace.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libspace.a sp_init.o sp_main.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libspace.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libspace.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libspace.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/space' Making libraries in drdy make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG atsym.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG drdy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG drdy_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Input_for_drdy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. 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-I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mxlneq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pmclqa.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG path.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG path2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pot1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG euler.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pmlqa.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dsdt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rsp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pmcube.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fdiag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG potsp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG projct.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pythag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG getstr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG io.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sumout.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wfiles.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwc_gen.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdrdy.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdrdy.a atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdrdy.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdrdy.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdrdy.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/drdy' Making libraries in vscf make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vscf_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vscf.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libvscf.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libvscf.a vscf_input.o vscf.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libvscf.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libvscf.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libvscf.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/vscf' Making libraries in qmmm make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_qmmm_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mm_interface.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_link.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_data.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_lbfgsb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_utils.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_qmmm_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_main.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_check_forces.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_bq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_esp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_cons.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_geom.F qmmm_geom.F:703:28: > 0, 1 Warning: Rank mismatch in argument 'aiw' at (1) (rank-1 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_bq_data.F qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_qmmm_optimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_qmmm_dynamics.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_output.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mm_utils.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_pes.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmmm_property.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_qmmm_fep.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_qmmm_abc.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqmmm.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqmmm.a qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqmmm.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqmmm.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqmmm.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmmm' Making libraries in qmd make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_main.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_start.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_qmd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_nucl_dt2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_nucl_dt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_geom_store.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_thermostat.F qmd_thermostat.F:316:0: note: loop vectorized qmd_thermostat.F:243:0: note: loop vectorized qmd_thermostat.F:157:0: note: loop vectorized qmd_thermostat.F:114:0: note: loop vectorized qmd_thermostat.F:157:0: note: loop vectorized qmd_thermostat.F:243:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_kinetic.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_write_trj.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_write_rst.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_ran1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_gasdev.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_randomize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_nucl_pos.F qmd_nucl_pos.F:22:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_nucl_vel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_read_rst.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_gamdev.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_sumno.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_fix_momentum.F qmd_fix_momentum.F:52:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qmd_freeze_inactive.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqmd.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqmd.a qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqmd.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqmd.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libqmd.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/qmd' Making libraries in etrans make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG et_calc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG et_calc_fmo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG et_fmo_util.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG et_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG et_det.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG et_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG et_dgefa.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG et_movecs_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG et_vectors_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG et_fock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG et_dens_prod.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG et_omega2_mult.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libetrans.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libetrans.a et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_dgefa.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libetrans.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libetrans.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libetrans.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/etrans' Making libraries in tce make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_energy_fragment.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_tile.F tce_tile.F:357:0: oatiles(1)=nblocks_a ^ Warning: 'nblocks_a' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_tile.F:68:0: integer nblocks_a,nblocks_ia ^ note: 'nblocks_a' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ao1e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo1e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ao2e.F tce_ao2e.F:77:0: note: loop vectorized tce_ao2e.F:77:0: note: loop peeled for vectorization to enhance alignment tce_ao2e.F:66:0: note: loop vectorized tce_ao2e.F:63:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_filename.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG createfile.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG deletefile.F deletefile.F:22:0: integer i,j ^ Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG reconcilefile.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dratoga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG gatodra.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG gatoeaf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_block.F get_block.F:64:0: filename = filenames(j) ^ Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block.F:21:0: integer i,j ^ note: 'j' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG put_block.F put_block.F:64:0: filename = filenames(j) ^ Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] put_block.F:21:0: integer i,j ^ note: 'j' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG add_block.F add_block.F:83:0: note: loop vectorized add_block.F:83:0: note: loop peeled for vectorization to enhance alignment add_block.F:96:0: note: loop vectorized add_block.F:96:0: note: loop peeled for vectorization to enhance alignment add_block.F:122:0: note: loop vectorized add_block.F:122:0: note: loop peeled for vectorization to enhance alignment add_block.F:144:0: note: loop vectorized add_block.F:144:0: note: loop peeled for vectorization to enhance alignment add_block.F:172:0: note: loop vectorized add_block.F:172:0: note: loop peeled for vectorization to enhance alignment add_block.F:76:0: filename = filenames(j) ^ Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] add_block.F:29:0: integer i,j ^ note: 'j' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_tidy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sf_test.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hbar.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo1e_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_e_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_guess_t1.F tce_guess_t1.F:58:0: note: loop vectorized tce_guess_t1.F:58:0: note: loop versioned for vectorization because of possible aliasing tce_guess_t1.F:58:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_guess_t2.F tce_guess_t2.F:80:0: note: loop vectorized tce_guess_t2.F:80:0: note: loop versioned for vectorization because of possible aliasing tce_guess_t2.F:80:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_zero.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_print_x1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_print_x2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_residual_t1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_residual_t2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_residual_t3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_residual_t4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ma_pack.F ma_pack.F:20:0: note: loop vectorized ma_pack.F:20:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sf_print.F sf_print.F:40:0: note: loop vectorized sf_print.F:40:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ma_print_compact.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ma_scale.F ma_scale.F:12:0: note: loop vectorized ma_scale.F:12:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG copyfile.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ddotfile.F ddotfile.F:86:0: note: loop vectorized ddotfile.F:86:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG daxfile.F daxfile.F:108:0: note: loop vectorized daxfile.F:108:0: note: loop versioned for vectorization because of possible aliasing daxfile.F:108:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG daxpyfile.F daxpyfile.F:103:0: note: loop vectorized daxpyfile.F:103:0: note: loop versioned for vectorization because of possible aliasing daxpyfile.F:103:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dscalfile.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_aod1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_nud1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mod1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mod1_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_abelian_axis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mod1_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mod1_offset_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_eom_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_eom_tidy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_eom_xdiagon.F tce_eom_xdiagon.F:273:0: note: loop vectorized tce_eom_xdiagon.F:273:0: note: loop versioned for vectorization because of possible aliasing tce_eom_xdiagon.F:273:0: note: loop peeled for vectorization to enhance alignment tce_eom_xdiagon.F:976:0: note: loop vectorized tce_eom_xdiagon.F:976:0: note: loop peeled for vectorization to enhance alignment tce_eom_xdiagon.F:972:0: note: loop vectorized tce_eom_xdiagon.F:972:0: note: loop peeled for vectorization to enhance alignment tce_eom_xdiagon.F:1543:0: note: loop vectorized tce_eom_xdiagon.F:1543:0: note: loop peeled for vectorization to enhance alignment tce_eom_xdiagon.F:1539:0: note: loop vectorized tce_eom_xdiagon.F:1539:0: note: loop peeled for vectorization to enhance alignment tce_eom_xdiagon.F:1877:0: note: loop vectorized tce_eom_xdiagon.F:1877:0: note: loop peeled for vectorization to enhance alignment tce_eom_xdiagon.F:1873:0: note: loop vectorized tce_eom_xdiagon.F:1873:0: note: loop peeled for vectorization to enhance alignment tce_eom_xdiagon.F:2387:0: note: loop vectorized tce_eom_xdiagon.F:2387:0: note: loop peeled for vectorization to enhance alignment tce_eom_xdiagon.F:2383:0: note: loop vectorized tce_eom_xdiagon.F:2383:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_eom_ydiagon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_t1_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_t2_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_t3_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_t4_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_x1_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_x2_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_x3_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_x4_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_y1_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_y2_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_y3_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_y4_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mbpt2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_restricted.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_hash.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_hash_block.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG put_hash_block.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG add_hash_block.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_residual_t3a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_t3a_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_x3a_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_cholesky.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ao2e_cholesky.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ao2e_cholesky_2d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ao2e_cholesky_4d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG e2_offset_2_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_block_ind.F get_block_ind.F:505:0: key_alpha = second_h ^ Warning: 'second_h' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:57:0: integer key_ix,nkey,first_h,second_h ^ note: 'second_h' was declared here get_block_ind.F:217:0: key_alpha = first_h ^ Warning: 'first_h' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:57:0: integer key_ix,nkey,first_h,second_h ^ note: 'first_h' was declared here get_block_ind.F:287:0: size4 = int_mb(k_range+g4b-1) ^ Warning: 'inx4' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:59:0: integer inx1,inx2,inx3,inx4 ^ note: 'inx4' was declared here get_block_ind.F:577:0: size3 = int_mb(k_range+g3b-1) ^ Warning: 'inx3' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:59:0: integer inx1,inx2,inx3,inx4 ^ note: 'inx3' was declared here get_block_ind.F:513:0: ig2b=int_mb(k_b2am+g2b-1) ^ Warning: 'inx2' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:59:0: integer inx1,inx2,inx3,inx4 ^ note: 'inx2' was declared here get_block_ind.F:514:0: ig1b=int_mb(k_b2am+g1b-1) ^ Warning: 'inx1' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:59:0: integer inx1,inx2,inx3,inx4 ^ note: 'inx1' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_block_ind_sf.F get_block_ind_sf.F:534:0: note: loop vectorized get_block_ind_sf.F:534:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:550:0: note: loop vectorized get_block_ind_sf.F:550:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:566:0: note: loop vectorized get_block_ind_sf.F:566:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:582:0: note: loop vectorized get_block_ind_sf.F:582:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:598:0: note: loop vectorized get_block_ind_sf.F:598:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:614:0: note: loop vectorized get_block_ind_sf.F:614:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:646:0: note: loop vectorized get_block_ind_sf.F:646:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:630:0: note: loop vectorized get_block_ind_sf.F:630:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:298:0: note: loop vectorized get_block_ind_sf.F:298:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:314:0: note: loop vectorized get_block_ind_sf.F:314:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:330:0: note: loop vectorized get_block_ind_sf.F:330:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:346:0: note: loop vectorized get_block_ind_sf.F:346:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:362:0: note: loop vectorized get_block_ind_sf.F:362:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:378:0: note: loop vectorized get_block_ind_sf.F:378:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:410:0: note: loop vectorized get_block_ind_sf.F:410:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:394:0: note: loop vectorized get_block_ind_sf.F:394:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:435:0: key_alpha = second_h ^ Warning: 'second_h' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:45:0: integer key_ix,nkey,first_h,second_h ^ note: 'second_h' was declared here get_block_ind_sf.F:207:0: key_alpha = first_h ^ Warning: 'first_h' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:45:0: integer key_ix,nkey,first_h,second_h ^ note: 'first_h' was declared here get_block_ind_sf.F:524:0: size4 = int_mb(k_range+g4b-1) ^ Warning: 'inx4' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:47:0: integer inx1,inx2,inx3,inx4 ^ note: 'inx4' was declared here get_block_ind_sf.F:522:0: size3 = int_mb(k_range+g3b-1) ^ Warning: 'inx3' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:47:0: integer inx1,inx2,inx3,inx4 ^ note: 'inx3' was declared here get_block_ind_sf.F:525:0: size2 = int_mb(k_range+g2b-1) ^ Warning: 'inx2' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:47:0: integer inx1,inx2,inx3,inx4 ^ note: 'inx2' was declared here get_block_ind_sf.F:523:0: size1 = int_mb(k_range+g1b-1) ^ Warning: 'inx1' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:47:0: integer inx1,inx2,inx3,inx4 ^ note: 'inx1' was declared here get_block_ind_sf.F:1200:0: note: loop vectorized get_block_ind_sf.F:1200:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:1216:0: note: loop vectorized get_block_ind_sf.F:1216:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:1232:0: note: loop vectorized get_block_ind_sf.F:1232:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:1248:0: note: loop vectorized get_block_ind_sf.F:1248:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:1264:0: note: loop vectorized get_block_ind_sf.F:1264:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:1280:0: note: loop vectorized get_block_ind_sf.F:1280:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:1312:0: note: loop vectorized get_block_ind_sf.F:1312:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:1296:0: note: loop vectorized get_block_ind_sf.F:1296:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:964:0: note: loop vectorized get_block_ind_sf.F:964:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:980:0: note: loop vectorized get_block_ind_sf.F:980:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:996:0: note: loop vectorized get_block_ind_sf.F:996:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:1012:0: note: loop vectorized get_block_ind_sf.F:1012:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:1028:0: note: loop vectorized get_block_ind_sf.F:1028:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:1044:0: note: loop vectorized get_block_ind_sf.F:1044:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:1076:0: note: loop vectorized get_block_ind_sf.F:1076:0: note: loop peeled for vectorization to enhance alignment get_block_ind_sf.F:1060:0: note: loop vectorized get_block_ind_sf.F:1060:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_hash_ind.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_offset_intorb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_offset_size.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_trans.F tce_mo2e_trans.F:628:0: note: loop vectorized tce_mo2e_trans.F:628:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_trans.F:628:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_trans.F:612:0: note: loop vectorized tce_mo2e_trans.F:612:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_trans.F:612:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_trans.F:596:0: note: loop vectorized tce_mo2e_trans.F:596:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_trans.F:596:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_trans.F:568:0: note: loop vectorized tce_mo2e_trans.F:568:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_trans.F:568:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_trans.F:555:0: note: loop vectorized tce_mo2e_trans.F:555:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_trans.F:555:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_trans.F:355:0: note: loop vectorized tce_mo2e_trans.F:355:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_trans.F:355:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_trans.F:339:0: note: loop vectorized tce_mo2e_trans.F:339:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_trans.F:339:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_trans.F:323:0: note: loop vectorized tce_mo2e_trans.F:323:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_trans.F:323:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_trans.F:294:0: note: loop vectorized tce_mo2e_trans.F:294:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_trans.F:294:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_trans.F:283:0: note: loop vectorized tce_mo2e_trans.F:283:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_trans.F:283:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG atpart_nalength.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_zones_4a_disk_ga.F tce_mo2e_zones_4a_disk_ga.F:625:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga.F:625:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga.F:625:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga.F:654:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga.F:654:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga.F:654:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga.F:284:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga.F:284:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga.F:284:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga.F:195:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga.F:195:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga.F:195:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga.F:189:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga.F:189:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga.F:189:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_zones_4a_disk_ga_chop.F tce_mo2e_zones_4a_disk_ga_chop.F:631:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop.F:631:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop.F:631:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop.F:660:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop.F:660:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop.F:660:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop.F:316:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop.F:316:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop.F:316:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop.F:238:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop.F:238:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop.F:238:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop.F:232:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop.F:232:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop.F:232:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_zones_4a_disk_2s_new.F tce_mo2e_zones_4a_disk_2s_new.F:685:0: note: loop vectorized tce_mo2e_zones_4a_disk_2s_new.F:685:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_2s_new.F:685:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_2s_new.F:714:0: note: loop vectorized tce_mo2e_zones_4a_disk_2s_new.F:714:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_2s_new.F:714:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_2s_new.F:283:0: note: loop vectorized tce_mo2e_zones_4a_disk_2s_new.F:283:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_2s_new.F:283:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_2s_new.F:204:0: note: loop vectorized tce_mo2e_zones_4a_disk_2s_new.F:204:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_2s_new.F:204:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_2s_new.F:198:0: note: loop vectorized tce_mo2e_zones_4a_disk_2s_new.F:198:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_2s_new.F:198:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_restart.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_restart_triples.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_restart_quadruples.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX 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-fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_y4_offset_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsd_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsdt_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsdtq_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsd_perturbative.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsd_lambda_perturbative.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsd_lambda_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsdt_lambda_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsdtq_lambda_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsd_response_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsdt_response_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsdtq_response_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsd_symm_polar.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsdt_symm_polar.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsdtq_symm_polar.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsd_lambda_response_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsd_asym_polar.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ccsd_hyperpolar.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ao2e_new.F tce_ao2e_new.F:125:0: note: loop vectorized tce_ao2e_new.F:125:0: note: loop peeled for vectorization to enhance alignment tce_ao2e_new.F:114:0: note: loop vectorized tce_ao2e_new.F:111:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_tile_new.F tce_tile_new.F:451:0: oatiles(1)=nblocks_a ^ Warning: 'nblocks_a' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_tile_new.F:750:0: oatiles(1)=nblocks_a ^ Warning: 'nblocks_a' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_init_new.F tce_init_new.F:660:0: note: loop vectorized tce_init_new.F:660:0: note: loop peeled for vectorization to enhance alignment tce_init_new.F:650:0: note: loop vectorized tce_init_new.F:650:0: note: loop versioned for vectorization because of possible aliasing tce_init_new.F:650:0: note: loop peeled for vectorization to enhance alignment tce_init_new.F:635:0: note: loop vectorized tce_init_new.F:635:0: note: loop peeled for vectorization to enhance alignment tce_init_new.F:608:0: note: loop vectorized tce_init_new.F:608:0: note: loop versioned for vectorization because of possible aliasing tce_init_new.F:608:0: note: loop peeled for vectorization to enhance alignment tce_init_new.F:788:0: if (rohf) then ^ Warning: 'rohf' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_init_new.F:42:0: logical rohf ^ note: 'rohf' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_zones_4a_disk_4s_new_patch.F tce_mo2e_zones_4a_disk_4s_new_patch.F:1425:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch.F:1425:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch.F:1425:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch.F:1270:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch.F:1270:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch.F:1270:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch.F:1239:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch.F:1239:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch.F:1239:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch.F:1223:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch.F:1223:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch.F:1223:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch.F:1147:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch.F:1147:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch.F:1147:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch.F:1115:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch.F:1115:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch.F:1115:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch.F:1106:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch.F:1106:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch.F:1106:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch.F:906:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch.F:906:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch.F:906:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch.F:699:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch.F:699:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch.F:699:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch.F:337:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch.F:337:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch.F:337:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch.F:331:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch.F:331:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch.F:331:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_zones_4a_disk_4s_new_patch_m2.F tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1662:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1662:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1662:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1484:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1484:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1484:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1453:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1453:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1453:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1437:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1437:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1437:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1214:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1214:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:1214:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:989:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:989:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:989:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:295:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:295:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:295:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:289:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:289:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:289:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:0: if(size_4af.le.size_max2) then ^ Warning: 'size_4af' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:96:0: integer key_4af,offset_4af,size_4af ^ note: 'size_4af' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_zones_4a_disk_4s_new_patch_m3.F tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1692:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1692:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1692:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1508:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1508:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1508:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1477:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1477:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1477:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1461:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1461:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1461:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1233:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1233:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1233:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1002:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1002:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:1002:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:294:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:294:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:294:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:288:0: note: loop vectorized tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:288:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:288:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:0: if(size_4af.le.size_max2) then ^ Warning: 'size_4af' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:96:0: integer key_4af,offset_4af,size_4af ^ note: 'size_4af' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_ao2e_disk.F tce_ao2e_disk.F:75:0: note: loop vectorized tce_ao2e_disk.F:75:0: note: loop peeled for vectorization to enhance alignment tce_ao2e_disk.F:64:0: note: loop vectorized tce_ao2e_disk.F:61:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_disk.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_disk_2eorb.F tce_mo2e_disk_2eorb.F:1667:0: note: loop vectorized tce_mo2e_disk_2eorb.F:1667:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_disk_2eorb.F:1667:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_disk_2eorb.F:1485:0: note: loop vectorized tce_mo2e_disk_2eorb.F:1485:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_disk_2eorb.F:1485:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_disk_2eorb.F:1454:0: note: loop vectorized tce_mo2e_disk_2eorb.F:1454:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_disk_2eorb.F:1454:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_disk_2eorb.F:1438:0: note: loop vectorized tce_mo2e_disk_2eorb.F:1438:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_disk_2eorb.F:1438:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_disk_2eorb.F:1214:0: note: loop vectorized tce_mo2e_disk_2eorb.F:1214:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_disk_2eorb.F:1214:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_disk_2eorb.F:988:0: note: loop vectorized tce_mo2e_disk_2eorb.F:988:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_disk_2eorb.F:988:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_disk_2eorb.F:293:0: note: loop vectorized tce_mo2e_disk_2eorb.F:293:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_disk_2eorb.F:293:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_disk_2eorb.F:287:0: note: loop vectorized tce_mo2e_disk_2eorb.F:287:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_disk_2eorb.F:287:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_incore_2eorb.F tce_mo2e_incore_2eorb.F:1092:0: note: loop vectorized tce_mo2e_incore_2eorb.F:1092:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb.F:1092:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb.F:965:0: note: loop vectorized tce_mo2e_incore_2eorb.F:965:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb.F:965:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb.F:936:0: note: loop vectorized tce_mo2e_incore_2eorb.F:936:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb.F:936:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb.F:920:0: note: loop vectorized tce_mo2e_incore_2eorb.F:920:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb.F:920:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb.F:869:0: note: loop vectorized tce_mo2e_incore_2eorb.F:869:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb.F:869:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb.F:837:0: note: loop vectorized tce_mo2e_incore_2eorb.F:837:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb.F:837:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb.F:828:0: note: loop vectorized tce_mo2e_incore_2eorb.F:828:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb.F:828:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb.F:680:0: note: loop vectorized tce_mo2e_incore_2eorb.F:680:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb.F:680:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb.F:538:0: note: loop vectorized tce_mo2e_incore_2eorb.F:538:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb.F:538:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb.F:286:0: note: loop vectorized tce_mo2e_incore_2eorb.F:286:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb.F:286:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb.F:280:0: note: loop vectorized tce_mo2e_incore_2eorb.F:280:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb.F:280:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_incore_2eorb_split.F tce_mo2e_incore_2eorb_split.F:1623:0: note: loop vectorized tce_mo2e_incore_2eorb_split.F:1623:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb_split.F:1623:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb_split.F:1437:0: note: loop vectorized tce_mo2e_incore_2eorb_split.F:1437:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb_split.F:1437:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb_split.F:1406:0: note: loop vectorized tce_mo2e_incore_2eorb_split.F:1406:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb_split.F:1406:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb_split.F:1390:0: note: loop vectorized tce_mo2e_incore_2eorb_split.F:1390:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb_split.F:1390:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb_split.F:1143:0: note: loop vectorized tce_mo2e_incore_2eorb_split.F:1143:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb_split.F:1143:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb_split.F:903:0: note: loop vectorized tce_mo2e_incore_2eorb_split.F:903:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb_split.F:903:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb_split.F:262:0: note: loop vectorized tce_mo2e_incore_2eorb_split.F:262:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb_split.F:262:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_incore_2eorb_split.F:256:0: note: loop vectorized tce_mo2e_incore_2eorb_split.F:256:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_incore_2eorb_split.F:256:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_hybrid_2eorb_split.F tce_mo2e_hybrid_2eorb_split.F:1662:0: note: loop vectorized tce_mo2e_hybrid_2eorb_split.F:1662:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_hybrid_2eorb_split.F:1662:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_hybrid_2eorb_split.F:1484:0: note: loop vectorized tce_mo2e_hybrid_2eorb_split.F:1484:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_hybrid_2eorb_split.F:1484:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_hybrid_2eorb_split.F:1453:0: note: loop vectorized tce_mo2e_hybrid_2eorb_split.F:1453:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_hybrid_2eorb_split.F:1453:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_hybrid_2eorb_split.F:1437:0: note: loop vectorized tce_mo2e_hybrid_2eorb_split.F:1437:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_hybrid_2eorb_split.F:1437:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_hybrid_2eorb_split.F:1214:0: note: loop vectorized tce_mo2e_hybrid_2eorb_split.F:1214:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_hybrid_2eorb_split.F:1214:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_hybrid_2eorb_split.F:989:0: note: loop vectorized tce_mo2e_hybrid_2eorb_split.F:989:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_hybrid_2eorb_split.F:989:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_hybrid_2eorb_split.F:295:0: note: loop vectorized tce_mo2e_hybrid_2eorb_split.F:295:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_hybrid_2eorb_split.F:295:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_hybrid_2eorb_split.F:289:0: note: loop vectorized tce_mo2e_hybrid_2eorb_split.F:289:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_hybrid_2eorb_split.F:289:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_hybrid_2eorb_split.F:262:0: if(size_4af.le.size_max2) then ^ Warning: 'size_4af' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:97:0: integer key_4af,offset_4af,size_4af ^ note: 'size_4af' was declared here ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_offset_intorb_hybrid.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_2emet3.F tce_mo2e_2emet3.F:623:0: note: loop vectorized tce_mo2e_2emet3.F:623:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet3.F:623:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet3.F:652:0: note: loop vectorized tce_mo2e_2emet3.F:652:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet3.F:652:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet3.F:282:0: note: loop vectorized tce_mo2e_2emet3.F:282:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet3.F:282:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet3.F:193:0: note: loop vectorized tce_mo2e_2emet3.F:193:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet3.F:193:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet3.F:187:0: note: loop vectorized tce_mo2e_2emet3.F:187:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet3.F:187:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_2emet3_n5.F tce_mo2e_2emet3_n5.F:653:0: note: loop vectorized tce_mo2e_2emet3_n5.F:653:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet3_n5.F:653:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet3_n5.F:682:0: note: loop vectorized tce_mo2e_2emet3_n5.F:682:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet3_n5.F:682:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet3_n5.F:282:0: note: loop vectorized tce_mo2e_2emet3_n5.F:282:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet3_n5.F:282:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet3_n5.F:193:0: note: loop vectorized tce_mo2e_2emet3_n5.F:193:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet3_n5.F:193:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet3_n5.F:187:0: note: loop vectorized tce_mo2e_2emet3_n5.F:187:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet3_n5.F:187:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_2emet4.F tce_mo2e_2emet4.F:629:0: note: loop vectorized tce_mo2e_2emet4.F:629:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet4.F:629:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet4.F:658:0: note: loop vectorized tce_mo2e_2emet4.F:658:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet4.F:658:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet4.F:314:0: note: loop vectorized tce_mo2e_2emet4.F:314:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet4.F:314:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet4.F:236:0: note: loop vectorized tce_mo2e_2emet4.F:236:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet4.F:236:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet4.F:230:0: note: loop vectorized tce_mo2e_2emet4.F:230:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet4.F:230:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_2emet4_n5.F tce_mo2e_2emet4_n5.F:629:0: note: loop vectorized tce_mo2e_2emet4_n5.F:629:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet4_n5.F:629:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet4_n5.F:658:0: note: loop vectorized tce_mo2e_2emet4_n5.F:658:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet4_n5.F:658:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet4_n5.F:314:0: note: loop vectorized tce_mo2e_2emet4_n5.F:314:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet4_n5.F:314:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet4_n5.F:236:0: note: loop vectorized tce_mo2e_2emet4_n5.F:236:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet4_n5.F:236:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_2emet4_n5.F:230:0: note: loop vectorized tce_mo2e_2emet4_n5.F:230:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_2emet4_n5.F:230:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_hash_block_ma.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_energy_loc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cc2_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_lambda.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_imaginary.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_lr_alpha.F ccsd_lr_alpha.F:465:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_qr_beta.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_dgeev.F tce_dgeev.F:375:0: note: loop vectorized tce_dgeev.F:375:0: note: loop peeled for vectorization to enhance alignment tce_dgeev.F:345:0: note: loop vectorized tce_dgeev.F:345:0: note: loop peeled for vectorization to enhance alignment tce_dgeev.F:402:0: WORK( 1 ) = MAXWRK ^ Warning: 'maxwrk' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_schmidt.F tce_schmidt.F:32:0: note: loop vectorized tce_schmidt.F:32:0: note: loop versioned for vectorization because of possible aliasing tce_schmidt.F:32:0: note: loop peeled for vectorization to enhance alignment tce_schmidt.F:29:0: note: loop vectorized tce_schmidt.F:29:0: note: loop peeled for vectorization to enhance alignment tce_schmidt.F:23:0: note: loop vectorized tce_schmidt.F:23:0: note: loop peeled for vectorization to enhance alignment tce_schmidt.F:18:0: note: loop vectorized tce_schmidt.F:18:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tensor_read_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_diis_act.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_zones_4a_disk_ga_act.F tce_mo2e_zones_4a_disk_ga_act.F:910:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:910:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:910:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:902:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:902:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:902:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:870:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:870:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:870:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:833:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:833:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:833:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:825:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:825:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:825:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:796:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:796:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:796:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:979:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:979:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:979:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:971:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:971:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:971:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:942:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:942:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:942:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:539:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:539:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:539:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:466:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:466:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:466:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:602:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:602:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:602:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:287:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:287:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:287:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:213:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:213:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:213:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_act.F:207:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_act.F:207:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_act.F:207:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_zones_4a_disk_ga_chop_act.F tce_mo2e_zones_4a_disk_ga_chop_act.F:921:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:921:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:921:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:913:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:913:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:913:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:881:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:881:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:881:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:844:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:844:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:844:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:836:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:836:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:836:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:807:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:807:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:807:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:990:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:990:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:990:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:982:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:982:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:982:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:953:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:953:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:953:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:560:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:560:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:560:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:487:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:487:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:487:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:623:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:623:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:623:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:342:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:342:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:342:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:264:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:264:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:264:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_act.F:258:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_act.F:258:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_act.F:258:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_t2a_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_x2a_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG new_ga4ind_N5.F new_ga4ind_N5.F:280:0: note: loop vectorized new_ga4ind_N5.F:280:0: note: loop versioned for vectorization because of possible aliasing new_ga4ind_N5.F:280:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_zones_4a_disk_ga_N5.F tce_mo2e_zones_4a_disk_ga_N5.F:864:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:864:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:864:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:856:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:856:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:856:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:824:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:824:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:824:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:787:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:787:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:787:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:779:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:779:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:779:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:750:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:750:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:750:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:933:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:933:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:933:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:925:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:925:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:925:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:896:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:896:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:896:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:517:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:517:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:517:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:444:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:444:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:444:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:580:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:580:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:580:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:273:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:273:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:273:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:203:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:203:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:203:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_N5.F:197:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_N5.F:197:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_N5.F:197:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_mo2e_zones_4a_disk_ga_chop_N5.F tce_mo2e_zones_4a_disk_ga_chop_N5.F:902:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:902:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:902:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:894:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:894:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:894:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:862:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:862:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:862:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:825:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:825:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:825:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:817:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:817:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:817:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:788:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:788:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:788:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:971:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:971:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:971:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:963:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:963:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:963:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:934:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:934:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:934:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:557:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:557:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:557:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:484:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:484:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:484:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:620:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:620:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:620:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:339:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:339:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:339:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:261:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:261:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:261:0: note: loop peeled for vectorization to enhance alignment tce_mo2e_zones_4a_disk_ga_chop_N5.F:255:0: note: loop vectorized tce_mo2e_zones_4a_disk_ga_chop_N5.F:255:0: note: loop versioned for vectorization because of possible aliasing tce_mo2e_zones_4a_disk_ga_chop_N5.F:255:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_eom_xguess.F tce_eom_xguess.F:70:0: note: loop vectorized tce_eom_xguess.F:70:0: note: loop versioned for vectorization because of possible aliasing tce_eom_xguess.F:70:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_eom_yguess.F tce_eom_yguess.F:64:0: note: loop vectorized tce_eom_yguess.F:64:0: note: loop versioned for vectorization because of possible aliasing tce_eom_yguess.F:64:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I./include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ma_transpose.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' Making all in include make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/include' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/include' make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/include' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/include' Making all in diis make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_diis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_diis_init.F tce_diis_init.F:11:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_diis_switch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_diis_tidy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_t1.F tce_jacobi_t1.F:65:0: note: loop vectorized tce_jacobi_t1.F:65:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_t1.F:65:0: note: loop peeled for vectorization to enhance alignment tce_jacobi_t1.F:160:0: note: loop vectorized tce_jacobi_t1.F:160:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_t1.F:160:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_t2.F tce_jacobi_t2.F:79:0: note: loop vectorized tce_jacobi_t2.F:79:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_t2.F:79:0: note: loop peeled for vectorization to enhance alignment tce_jacobi_t2.F:202:0: note: loop vectorized tce_jacobi_t2.F:202:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_t2.F:202:0: note: loop peeled for vectorization to enhance alignment tce_jacobi_t2.F:326:0: note: loop vectorized tce_jacobi_t2.F:326:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_t2.F:326:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_t3.F tce_jacobi_t3.F:97:0: note: loop vectorized tce_jacobi_t3.F:97:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_t3.F:97:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_t4.F tce_jacobi_t4.F:114:0: note: loop vectorized tce_jacobi_t4.F:114:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_t4.F:114:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_l1.F tce_jacobi_l1.F:54:0: note: loop vectorized tce_jacobi_l1.F:54:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_l1.F:54:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_l2.F tce_jacobi_l2.F:67:0: note: loop vectorized tce_jacobi_l2.F:67:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_l2.F:67:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_l3.F tce_jacobi_l3.F:93:0: note: loop vectorized tce_jacobi_l3.F:93:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_l3.F:93:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_l4.F tce_jacobi_l4.F:110:0: note: loop vectorized tce_jacobi_l4.F:110:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_l4.F:110:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_x1.F tce_jacobi_x1.F:56:0: note: loop vectorized tce_jacobi_x1.F:56:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_x1.F:56:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_x2.F tce_jacobi_x2.F:69:0: note: loop vectorized tce_jacobi_x2.F:69:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_x2.F:69:0: note: loop peeled for vectorization to enhance alignment tce_jacobi_x2.F:175:0: note: loop vectorized tce_jacobi_x2.F:175:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_x2.F:175:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_x3.F tce_jacobi_x3.F:92:0: note: loop vectorized tce_jacobi_x3.F:92:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_x3.F:92:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_x4.F tce_jacobi_x4.F:109:0: note: loop vectorized tce_jacobi_x4.F:109:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_x4.F:109:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_y1.F tce_jacobi_y1.F:54:0: note: loop vectorized tce_jacobi_y1.F:54:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_y1.F:54:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_y2.F tce_jacobi_y2.F:67:0: note: loop vectorized tce_jacobi_y2.F:67:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_y2.F:67:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_y3.F tce_jacobi_y3.F:92:0: note: loop vectorized tce_jacobi_y3.F:92:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_y3.F:92:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_y4.F tce_jacobi_y4.F:109:0: note: loop vectorized tce_jacobi_y4.F:109:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_y4.F:109:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_t3a.F tce_jacobi_t3a.F:100:0: note: loop vectorized tce_jacobi_t3a.F:100:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_t3a.F:100:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_x3a.F tce_jacobi_x3a.F:93:0: note: loop vectorized tce_jacobi_x3a.F:93:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_x3a.F:93:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis' Making all in diis2 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_diis2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_tr1.F tce_jacobi_tr1.F:59:0: note: loop vectorized tce_jacobi_tr1.F:59:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_tr1.F:59:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_tr2.F tce_jacobi_tr2.F:72:0: note: loop vectorized tce_jacobi_tr2.F:72:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_tr2.F:72:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_tr3.F tce_jacobi_tr3.F:98:0: note: loop vectorized tce_jacobi_tr3.F:98:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_tr3.F:98:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_tr4.F tce_jacobi_tr4.F:115:0: note: loop vectorized tce_jacobi_tr4.F:115:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_tr4.F:115:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_lr1.F tce_jacobi_lr1.F:55:0: note: loop vectorized tce_jacobi_lr1.F:55:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_lr1.F:55:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_lr2.F tce_jacobi_lr2.F:68:0: note: loop vectorized tce_jacobi_lr2.F:68:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_lr2.F:68:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_lr3.F tce_jacobi_lr3.F:94:0: note: loop vectorized tce_jacobi_lr3.F:94:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_lr3.F:94:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_lr4.F tce_jacobi_lr4.F:111:0: note: loop vectorized tce_jacobi_lr4.F:111:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_lr4.F:111:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis2' Making all in diis3 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_diis3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_diis3c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_ir1.F tce_jacobi_ir1.F:61:0: note: loop vectorized tce_jacobi_ir1.F:61:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_ir1.F:61:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_ir2.F tce_jacobi_ir2.F:74:0: note: loop vectorized tce_jacobi_ir2.F:74:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_ir2.F:74:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_ir3.F tce_jacobi_ir3.F:100:0: note: loop vectorized tce_jacobi_ir3.F:100:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_ir3.F:100:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi_ir4.F tce_jacobi_ir4.F:117:0: note: loop vectorized tce_jacobi_ir4.F:117:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi_ir4.F:117:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi2_ir1.F tce_jacobi2_ir1.F:61:0: note: loop vectorized tce_jacobi2_ir1.F:61:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi2_ir1.F:61:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi2_ir2.F tce_jacobi2_ir2.F:74:0: note: loop vectorized tce_jacobi2_ir2.F:74:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi2_ir2.F:74:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi2_ir3.F tce_jacobi2_ir3.F:100:0: note: loop vectorized tce_jacobi2_ir3.F:100:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi2_ir3.F:100:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_jacobi2_ir4.F tce_jacobi2_ir4.F:117:0: note: loop vectorized tce_jacobi2_ir4.F:117:0: note: loop versioned for vectorization because of possible aliasing tce_jacobi2_ir4.F:117:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a tce_diis3.o tce_diis3c.o tce_jacobi_ir1.o tce_jacobi_ir2.o tce_jacobi_ir3.o tce_jacobi_ir4.o tce_jacobi2_ir1.o tce_jacobi2_ir2.o tce_jacobi2_ir3.o tce_jacobi2_ir4.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/diis3' Making all in gradients make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_gradient.F tce_gradient.F:959:0: note: loop vectorized tce_gradient.F:959:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_left.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_1pdm_hh_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_1pdm_pp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_1pdm_hp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_1pdm_ph_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_2pdm_hhhh_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_2pdm_hhhp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_2pdm_hhpp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_2pdm_hphh_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_2pdm_hphp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_2pdm_hppp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_2pdm_pphh_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_2pdm_pphp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_2pdm_pppp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_a_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_a_b_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_a_b_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_a_c_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_a_c_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_a_d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_a_e_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_a_e_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_a_f_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_a_f_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_b_a_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_b_a_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_b_b_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_b_b_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_b_c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_b_d_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_b_d_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_b_e_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_b_e_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_b_f.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_c_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zvec_x_c_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_zvec.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_b_a_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_b_a_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_b_b_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_b_b_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_c_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_c_b_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_c_b_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_c_c_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_c_c_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_c_d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_c_e_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_c_e_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_c_f_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_c_f_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hh_mo_d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hp_mo_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hp_mo_b_a_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hp_mo_b_a_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hp_mo_b_b_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hp_mo_b_b_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hp_mo_b_c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hp_mo_b_d_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hp_mo_b_d_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hp_mo_b_e_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hp_mo_b_e_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hp_mo_b_f.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_hp_mo_c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_pp_mo_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_pp_mo_b_a_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_pp_mo_b_a_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_pp_mo_b_b_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_pp_mo_b_b_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_pp_mo_b_c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_pp_mo_b_d_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_pp_mo_b_d_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_pp_mo_b_e_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_pp_mo_b_e_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT wdm_pp_mo_b_f.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_grad_tidy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_ccsd_1prdm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_dens_hhhh_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_dens_hhhp_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_dens_hhpp_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_dens_hphh_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_dens_hphp_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_dens_hppp_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_dens_pphh_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_dens_pphp_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_dens_pppp_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_zvec_x1_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_2pdm_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_2pdm_hhhh.F put_2pdm_hhhh.F:73:0: note: loop vectorized put_2pdm_hhhh.F:73:0: note: loop versioned for vectorization because of possible aliasing put_2pdm_hhhh.F:73:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_2pdm_hhhp.F put_2pdm_hhhp.F:96:0: note: loop vectorized put_2pdm_hhhp.F:96:0: note: loop versioned for vectorization because of possible aliasing put_2pdm_hhhp.F:96:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_2pdm_hhpp.F put_2pdm_hhpp.F:73:0: note: loop vectorized put_2pdm_hhpp.F:73:0: note: loop versioned for vectorization because of possible aliasing put_2pdm_hhpp.F:73:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_2pdm_hphh.F put_2pdm_hphh.F:67:0: note: loop vectorized put_2pdm_hphh.F:67:0: note: loop versioned for vectorization because of possible aliasing put_2pdm_hphh.F:67:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_2pdm_hphp.F put_2pdm_hphp.F:71:0: note: loop vectorized put_2pdm_hphp.F:71:0: note: loop versioned for vectorization because of possible aliasing put_2pdm_hphp.F:71:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_2pdm_hppp.F put_2pdm_hppp.F:71:0: note: loop vectorized put_2pdm_hppp.F:71:0: note: loop versioned for vectorization because of possible aliasing put_2pdm_hppp.F:71:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_2pdm_pphh.F put_2pdm_pphh.F:74:0: note: loop vectorized put_2pdm_pphh.F:74:0: note: loop versioned for vectorization because of possible aliasing put_2pdm_pphh.F:74:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_2pdm_pphp.F put_2pdm_pphp.F:96:0: note: loop vectorized put_2pdm_pphp.F:96:0: note: loop versioned for vectorization because of possible aliasing put_2pdm_pphp.F:96:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_2pdm_pppp.F put_2pdm_pppp.F:77:0: note: loop vectorized put_2pdm_pppp.F:77:0: note: loop versioned for vectorization because of possible aliasing put_2pdm_pppp.F:77:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_1pdm_offset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_1pdm_hh.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_1pdm_hp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_1pdm_ph.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_1pdm_ph_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_1pdm_pp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT put_1pwdm_hp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ao_tiles.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT btrans1.F btrans1.F:210:0: note: loop vectorized btrans1.F:210:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ao_1prdm_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_gradients_doit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_grad_force.F tce_grad_force.F:1322:0: note: loop vectorized tce_grad_force.F:1322:0: note: loop versioned for vectorization because of possible aliasing tce_grad_force.F:1322:0: note: loop peeled for vectorization to enhance alignment tce_grad_force.F:1311:0: note: loop vectorized tce_grad_force.F:1311:0: note: loop versioned for vectorization because of possible aliasing tce_grad_force.F:1311:0: note: loop peeled for vectorization to enhance alignment tce_grad_force.F:1294:0: note: loop vectorized tce_grad_force.F:1294:0: note: loop versioned for vectorization because of possible aliasing tce_grad_force.F:1294:0: note: loop peeled for vectorization to enhance alignment tce_grad_force.F:995:0: note: loop vectorized tce_grad_force.F:995:0: note: loop versioned for vectorization because of possible aliasing tce_grad_force.F:995:0: note: loop peeled for vectorization to enhance alignment tce_grad_force.F:926:0: note: loop vectorized tce_grad_force.F:926:0: note: loop versioned for vectorization because of possible aliasing tce_grad_force.F:926:0: note: loop peeled for vectorization to enhance alignment tce_grad_force.F:686:0: note: loop vectorized tce_grad_force.F:686:0: note: loop versioned for vectorization because of possible aliasing tce_grad_force.F:686:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_grad1.F tce_grad1.F:166:0: note: loop vectorized tce_grad1.F:166:0: note: loop peeled for vectorization to enhance alignment tce_grad1.F:131:0: note: loop vectorized tce_grad1.F:131:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_grad2.F tce_grad2.F:354:0: note: loop vectorized tce_grad2.F:354:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT sym_2pdm_ao.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT btrans2.F btrans2.F:1198:0: note: loop vectorized btrans2.F:1198:0: note: loop versioned for vectorization because of possible aliasing btrans2.F:1198:0: note: loop peeled for vectorization to enhance alignment btrans2.F:1195:0: note: loop vectorized btrans2.F:1195:0: note: loop peeled for vectorization to enhance alignment btrans2.F:1191:0: note: loop vectorized btrans2.F:1191:0: note: loop peeled for vectorization to enhance alignment btrans2.F:1135:0: note: loop vectorized btrans2.F:1135:0: note: loop peeled for vectorization to enhance alignment btrans2.F:1278:0: note: loop vectorized btrans2.F:1278:0: note: loop peeled for vectorization to enhance alignment btrans2.F:1404:0: note: loop vectorized btrans2.F:1404:0: note: loop peeled for vectorization to enhance alignment btrans2.F:1525:0: note: loop vectorized btrans2.F:1525:0: note: loop peeled for vectorization to enhance alignment btrans2.F:2431:0: note: loop vectorized btrans2.F:2431:0: note: loop versioned for vectorization because of possible aliasing btrans2.F:2431:0: note: loop peeled for vectorization to enhance alignment btrans2.F:2387:0: note: loop vectorized btrans2.F:2387:0: note: loop peeled for vectorization to enhance alignment btrans2.F:2279:0: note: loop vectorized btrans2.F:2279:0: note: loop peeled for vectorization to enhance alignment btrans2.F:2212:0: note: loop vectorized btrans2.F:2212:0: note: loop versioned for vectorization because of possible aliasing btrans2.F:2212:0: note: loop peeled for vectorization to enhance alignment btrans2.F:2048:0: note: loop vectorized btrans2.F:2048:0: note: loop versioned for vectorization because of possible aliasing btrans2.F:2048:0: note: loop peeled for vectorization to enhance alignment btrans2.F:1973:0: note: loop vectorized btrans2.F:1973:0: note: loop peeled for vectorization to enhance alignment btrans2.F:1969:0: note: loop vectorized btrans2.F:1969:0: note: loop peeled for vectorization to enhance alignment btrans2.F:1902:0: note: loop vectorized btrans2.F:1902:0: note: loop peeled for vectorization to enhance alignment btrans2.F:1898:0: note: loop vectorized btrans2.F:1898:0: note: loop peeled for vectorization to enhance alignment btrans2.F:435:0: note: loop vectorized btrans2.F:435:0: note: loop versioned for vectorization because of possible aliasing btrans2.F:435:0: note: loop peeled for vectorization to enhance alignment btrans2.F:416:0: note: loop vectorized btrans2.F:416:0: note: loop peeled for vectorization to enhance alignment btrans2.F:328:0: note: loop vectorized btrans2.F:328:0: note: loop versioned for vectorization because of possible aliasing btrans2.F:328:0: note: loop peeled for vectorization to enhance alignment btrans2.F:305:0: note: loop vectorized btrans2.F:305:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_left.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_gradients.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_1pdm_hh_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_1pdm_pp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_eomccsd_1prdm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_2pdm_hhhh_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_2pdm_hhhp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_2pdm_hhpp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_2pdm_hphh_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_2pdm_hphp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_2pdm_hppp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_2pdm_pphh_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_2pdm_pphp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_2pdm_pppp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_z1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_z2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_2pdm_pphh_zvec_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_1pdm_hp_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_1pdm_ph_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_x1_grad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_x2_grad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_eom_xdiagon_grad.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/gradients' Making all in ccsd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t2.F ccsd_t2.F:6672:0: note: loop vectorized ccsd_t2.F:6672:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2.F:6672:0: note: loop peeled for vectorization to enhance alignment ccsd_t2.F:6672:0: note: loop vectorized ccsd_t2.F:6672:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2.F:6672:0: note: loop peeled for vectorization to enhance alignment ccsd_t2.F:6672:0: note: loop vectorized ccsd_t2.F:6672:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2.F:6672:0: note: loop peeled for vectorization to enhance alignment ccsd_t2.F:6478:0: note: loop vectorized ccsd_t2.F:6478:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2.F:6478:0: note: loop peeled for vectorization to enhance alignment ccsd_t2.F:6478:0: note: loop vectorized ccsd_t2.F:6478:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2.F:6478:0: note: loop peeled for vectorization to enhance alignment ccsd_t2.F:6478:0: note: loop vectorized ccsd_t2.F:6478:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2.F:6478:0: note: loop peeled for vectorization to enhance alignment ccsd_t2.F:6220:0: note: loop vectorized ccsd_t2.F:6220:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2.F:6220:0: note: loop peeled for vectorization to enhance alignment ccsd_t2.F:6220:0: note: loop vectorized ccsd_t2.F:6220:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2.F:6220:0: note: loop peeled for vectorization to enhance alignment ccsd_t2.F:6220:0: note: loop vectorized ccsd_t2.F:6220:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2.F:6220:0: note: loop peeled for vectorization to enhance alignment ccsd_t2.F:6028:0: note: loop vectorized ccsd_t2.F:6028:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2.F:6028:0: note: loop peeled for vectorization to enhance alignment ccsd_t2.F:6028:0: note: loop vectorized ccsd_t2.F:6028:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2.F:6028:0: note: loop peeled for vectorization to enhance alignment ccsd_t2.F:6028:0: note: loop vectorized ccsd_t2.F:6028:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2.F:6028:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cc2_t1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cc2_t2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_1prdm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_1prdm_hh.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_1prdm_hp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_1prdm_ph.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_1prdm_pp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT icsd_t1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT icsd_t2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT icsd_t2_neword.F icsd_t2_neword.F:156:43: R 'not sorted. val = ',kaux(7,i) 1 Warning: Array reference at (1) is out of bounds (7 > 5) in dimension 1 icsd_t2_neword.F:130:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_kernels.F ccsd_kernels.F:23:0: note: loop vectorized ccsd_kernels.F:23:0: note: loop peeled for vectorization to enhance alignment ccsd_kernels.F:50:0: note: loop vectorized ccsd_kernels.F:50:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t2_8.F ccsd_t2_8.F:360:0: #else // USE_F90_ALLOCATABLE ^ Warning: extra tokens at end of #else directive ccsd_t2_8.F:459:0: #endif // USE_F90_ALLOCATABLE ^ Warning: extra tokens at end of #endif directive make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o icsd_t2_neword.o ccsd_kernels.o ccsd_t2_8.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd' Making all in ccsd_lambda make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_lambda1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_lambda1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_lambda2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_density1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_lambda1_mod.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_lambda' Making all in eomccsd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_x1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_x2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_y1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_y2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_density1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_denominator.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cc2_x1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cc2_x2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_1prdm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_1prdm_hh.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_1prdm_hp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_1prdm_ph.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_1prdm_pp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_x1_old.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_x2_old.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomicsd_x1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomicsd_x2.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd' Making all in ccsd_t make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_ccsd_t.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT lr_ccsd_t.F make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t.F ccsd_t.F:115:0: #else // USE_F90_ALLOCATABLE ^ Warning: extra tokens at end of #else directive ccsd_t.F:128:0: #endif // USE_F90_ALLOCATABLE ^ Warning: extra tokens at end of #endif directive ccsd_t.F:162:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_doubles.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_singles.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT lambda_ccsd_t.F lambda_ccsd_t.F:160:0: note: loop vectorized lambda_ccsd_t.F:160:0: note: loop peeled for vectorization to enhance alignment lambda_ccsd_t.F:102:0: note: loop vectorized lambda_ccsd_t.F:102:0: note: loop versioned for vectorization because of possible aliasing lambda_ccsd_t.F:102:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT lambda_ccsd_t_left.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_doubles_l.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_singles_l.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd2_t.F ccsd2_t.F:171:0: note: loop vectorized ccsd2_t.F:171:0: note: loop peeled for vectorization to enhance alignment ccsd2_t.F:131:0: note: loop vectorized ccsd2_t.F:131:0: note: loop versioned for vectorization because of possible aliasing ccsd2_t.F:131:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd2_t_left.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd2_q.F ccsd2_q.F:55:0: 4 t_p5b,t_p6b,t_p7b,t_p8b,1) ^ Warning: 'k_right' is used uninitialized in this function [-Wuninitialized] ccsd2_q.F:32:0: integer k_right,l_right ^ note: 'k_right' was declared here ccsd2_q.F:188:0: note: loop vectorized ccsd2_q.F:188:0: note: loop peeled for vectorization to enhance alignment ccsd2_q.F:117:0: note: loop vectorized ccsd2_q.F:117:0: note: loop versioned for vectorization because of possible aliasing ccsd2_q.F:117:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd2_q_left.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd2_q_right.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt2_q.F ccsdt2_q.F:77:0: 7 t_p5b,t_p6b,t_p7b,t_p8b,1) ^ Warning: 'k_right' is used uninitialized in this function [-Wuninitialized] ccsdt2_q.F:42:0: integer k_right,l_right ^ note: 'k_right' was declared here ccsdt2_q.F:219:0: note: loop vectorized ccsdt2_q.F:219:0: note: loop peeled for vectorization to enhance alignment ccsdt2_q.F:142:0: note: loop vectorized ccsdt2_q.F:142:0: note: loop versioned for vectorization because of possible aliasing ccsdt2_q.F:142:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt2_q_left.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt2_q_right.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_ccsd_t_D.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_ccsd_t_E.F cr_ccsd_t_E.F:1431:0: note: loop vectorized cr_ccsd_t_E.F:1431:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1405:0: note: loop vectorized cr_ccsd_t_E.F:1405:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1379:0: note: loop vectorized cr_ccsd_t_E.F:1379:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1353:0: note: loop vectorized cr_ccsd_t_E.F:1353:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1327:0: note: loop vectorized cr_ccsd_t_E.F:1327:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1301:0: note: loop vectorized cr_ccsd_t_E.F:1301:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1275:0: note: loop vectorized cr_ccsd_t_E.F:1275:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1249:0: note: loop vectorized cr_ccsd_t_E.F:1249:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1223:0: note: loop vectorized cr_ccsd_t_E.F:1223:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1195:0: note: loop vectorized cr_ccsd_t_E.F:1195:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1170:0: note: loop vectorized cr_ccsd_t_E.F:1170:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1145:0: note: loop vectorized cr_ccsd_t_E.F:1145:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1120:0: note: loop vectorized cr_ccsd_t_E.F:1120:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1095:0: note: loop vectorized cr_ccsd_t_E.F:1095:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1070:0: note: loop vectorized cr_ccsd_t_E.F:1070:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1045:0: note: loop vectorized cr_ccsd_t_E.F:1045:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:1020:0: note: loop vectorized cr_ccsd_t_E.F:1020:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E.F:995:0: note: loop vectorized cr_ccsd_t_E.F:995:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_ccsd_t_N.F cr_ccsd_t_N.F:6705:0: note: loop vectorized cr_ccsd_t_N.F:6705:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6677:0: note: loop vectorized cr_ccsd_t_N.F:6677:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6649:0: note: loop vectorized cr_ccsd_t_N.F:6649:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6621:0: note: loop vectorized cr_ccsd_t_N.F:6621:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6593:0: note: loop vectorized cr_ccsd_t_N.F:6593:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6565:0: note: loop vectorized cr_ccsd_t_N.F:6565:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6537:0: note: loop vectorized cr_ccsd_t_N.F:6537:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6509:0: note: loop vectorized cr_ccsd_t_N.F:6509:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6481:0: note: loop vectorized cr_ccsd_t_N.F:6481:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6446:0: note: loop vectorized cr_ccsd_t_N.F:6446:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6418:0: note: loop vectorized cr_ccsd_t_N.F:6418:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6390:0: note: loop vectorized cr_ccsd_t_N.F:6390:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6362:0: note: loop vectorized cr_ccsd_t_N.F:6362:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6334:0: note: loop vectorized cr_ccsd_t_N.F:6334:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6306:0: note: loop vectorized cr_ccsd_t_N.F:6306:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6278:0: note: loop vectorized cr_ccsd_t_N.F:6278:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6250:0: note: loop vectorized cr_ccsd_t_N.F:6250:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N.F:6222:0: note: loop vectorized cr_ccsd_t_N.F:6222:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT lr_ccsd_tq.F lr_ccsd_tq.F:144:0: note: loop vectorized lr_ccsd_tq.F:144:0: note: loop versioned for vectorization because of possible aliasing lr_ccsd_tq.F:144:0: note: loop peeled for vectorization to enhance alignment lr_ccsd_tq.F:454:0: note: loop vectorized lr_ccsd_tq.F:454:0: note: loop versioned for vectorization because of possible aliasing lr_ccsd_tq.F:454:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_qcisd_t.F cr_qcisd_t.F:373:0: note: loop vectorized cr_qcisd_t.F:373:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT m2_dot_m1t1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_restart.F ccsd_t_restart.F:263:0: note: loop vectorized ccsd_t_restart.F:263:0: note: loop peeled for vectorization to enhance alignment ccsd_t_restart.F:181:0: note: loop vectorized ccsd_t_restart.F:181:0: note: loop peeled for vectorization to enhance alignment ccsd_t_restart.F:152:0: note: loop vectorized ccsd_t_restart.F:152:0: note: loop versioned for vectorization because of possible aliasing ccsd_t_restart.F:152:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_6dts.F ccsd_t_6dts.F:211:0: note: loop vectorized ccsd_t_6dts.F:211:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_singles_l_6dts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_doubles_l_6dts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_dts_kernels_omp.F ccsd_t_dts_kernels_omp.F:16:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:16:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:44:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:44:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:72:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:72:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:100:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:100:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:128:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:128:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:156:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:156:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:184:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:184:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:212:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:212:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:240:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:240:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:272:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:272:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:303:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:303:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:334:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:334:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:365:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:365:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:396:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:396:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:427:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:427:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:458:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:458:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:489:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:489:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:520:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:520:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:551:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:551:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:582:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:582:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:613:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:613:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:644:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:644:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:675:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:675:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:706:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:706:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:737:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:737:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:768:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:768:0: note: loop peeled for vectorization to enhance alignment ccsd_t_dts_kernels_omp.F:799:0: note: loop vectorized ccsd_t_dts_kernels_omp.F:799:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offl_ccsd_t_doubles_l.F offl_ccsd_t_doubles_l.F:1721:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1721:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1677:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1677:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1625:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1625:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1580:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1580:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1535:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1535:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1483:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1483:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1427:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1427:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1381:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1381:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1329:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1329:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1276:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1276:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1223:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1223:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1178:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1178:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1135:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1135:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1082:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1082:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:1029:0: note: loop vectorized offl_ccsd_t_doubles_l.F:1029:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:986:0: note: loop vectorized offl_ccsd_t_doubles_l.F:986:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:933:0: note: loop vectorized offl_ccsd_t_doubles_l.F:933:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_doubles_l.F:880:0: note: loop vectorized offl_ccsd_t_doubles_l.F:880:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_kernels_omp.F ccsd_t_kernels_omp.F:30:0: note: loop vectorized ccsd_t_kernels_omp.F:30:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:68:0: note: loop vectorized ccsd_t_kernels_omp.F:68:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:111:0: note: loop vectorized ccsd_t_kernels_omp.F:111:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:151:0: note: loop vectorized ccsd_t_kernels_omp.F:151:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:190:0: note: loop vectorized ccsd_t_kernels_omp.F:190:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:229:0: note: loop vectorized ccsd_t_kernels_omp.F:229:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:268:0: note: loop vectorized ccsd_t_kernels_omp.F:268:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:304:0: note: loop vectorized ccsd_t_kernels_omp.F:304:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:340:0: note: loop vectorized ccsd_t_kernels_omp.F:340:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:393:0: note: loop vectorized ccsd_t_kernels_omp.F:393:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:445:0: note: loop vectorized ccsd_t_kernels_omp.F:445:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:497:0: note: loop vectorized ccsd_t_kernels_omp.F:497:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:554:0: note: loop vectorized ccsd_t_kernels_omp.F:554:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:606:0: note: loop vectorized ccsd_t_kernels_omp.F:606:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:658:0: note: loop vectorized ccsd_t_kernels_omp.F:658:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:717:0: note: loop vectorized ccsd_t_kernels_omp.F:717:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:773:0: note: loop vectorized ccsd_t_kernels_omp.F:773:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:825:0: note: loop vectorized ccsd_t_kernels_omp.F:825:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:862:0: note: loop vectorized ccsd_t_kernels_omp.F:862:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:899:0: note: loop vectorized ccsd_t_kernels_omp.F:899:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:936:0: note: loop vectorized ccsd_t_kernels_omp.F:936:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:973:0: note: loop vectorized ccsd_t_kernels_omp.F:973:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:1010:0: note: loop vectorized ccsd_t_kernels_omp.F:1010:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:1047:0: note: loop vectorized ccsd_t_kernels_omp.F:1047:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:1084:0: note: loop vectorized ccsd_t_kernels_omp.F:1084:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:1122:0: note: loop vectorized ccsd_t_kernels_omp.F:1122:0: note: loop peeled for vectorization to enhance alignment ccsd_t_kernels_omp.F:1159:0: note: loop vectorized ccsd_t_kernels_omp.F:1159:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_hashnsort.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_pstat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offl_ccsd_t_singles_l.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offl_ccsd_t_singles_l_1.F offl_ccsd_t_singles_l_1.F:722:0: note: loop vectorized offl_ccsd_t_singles_l_1.F:722:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_singles_l_1.F:683:0: note: loop vectorized offl_ccsd_t_singles_l_1.F:683:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_singles_l_1.F:606:0: note: loop vectorized offl_ccsd_t_singles_l_1.F:606:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_singles_l_1.F:567:0: note: loop vectorized offl_ccsd_t_singles_l_1.F:567:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_singles_l_1.F:490:0: note: loop vectorized offl_ccsd_t_singles_l_1.F:490:0: note: loop peeled for vectorization to enhance alignment offl_ccsd_t_singles_l_1.F:451:0: note: loop vectorized offl_ccsd_t_singles_l_1.F:451:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_dot.F ccsd_t_dot.F:76:0: note: loop vectorized ccsd_t_dot.F:76:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_neword.F ccsd_t_neword.F:135:0: note: loop vectorized ccsd_t_neword.F:148:0: note: loop vectorized make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o offl_ccsd_t_singles_l.o offl_ccsd_t_singles_l_1.o ccsd_t_dot.o ccsd_t_neword.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_t' Making all in cr-eomccsd_t make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT c1_c1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT c2_c2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_gr.F cr_eomccsd_t_gr.F:214:0: note: loop vectorized cr_eomccsd_t_gr.F:214:0: note: loop versioned for vectorization because of possible aliasing cr_eomccsd_t_gr.F:214:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT t2t12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT nr0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT c1excit2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT c2excit2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT q3rexpt2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_s_m3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_1_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_1_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_1_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_3_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_1_3_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_3_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_1_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_1_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_1_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_1_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_7_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_1_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_8_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_1_9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_2_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_2_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_2_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_2_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_2_1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_3_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_3_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_3_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_3_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_3_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_3_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_3_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_4_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_4_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_4_1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_4_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_4_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_4_2_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_5_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_5_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_5_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_5_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_5_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_6_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_6_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_6_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_cr_eomccsd_t_n2_6_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_6_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_n2_6_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT creomccsd_t_n2_mem.F creomccsd_t_n2_mem.F:15827:0: note: loop vectorized creomccsd_t_n2_mem.F:15827:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem.F:15798:0: note: loop vectorized creomccsd_t_n2_mem.F:15798:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem.F:15769:0: note: loop vectorized creomccsd_t_n2_mem.F:15769:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem.F:15740:0: note: loop vectorized creomccsd_t_n2_mem.F:15740:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem.F:15711:0: note: loop vectorized creomccsd_t_n2_mem.F:15711:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem.F:15682:0: note: loop vectorized creomccsd_t_n2_mem.F:15682:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem.F:15653:0: note: loop vectorized creomccsd_t_n2_mem.F:15653:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem.F:15624:0: note: loop vectorized creomccsd_t_n2_mem.F:15624:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem.F:15595:0: note: loop vectorized creomccsd_t_n2_mem.F:15595:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT q3rexpt2_6dts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT creomccsd_t_n2_mem_6dts.F creomccsd_t_n2_mem_6dts.F:1990:0: note: loop vectorized creomccsd_t_n2_mem_6dts.F:1990:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem_6dts.F:1958:0: note: loop vectorized creomccsd_t_n2_mem_6dts.F:1958:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem_6dts.F:1926:0: note: loop vectorized creomccsd_t_n2_mem_6dts.F:1926:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem_6dts.F:1894:0: note: loop vectorized creomccsd_t_n2_mem_6dts.F:1894:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem_6dts.F:1862:0: note: loop vectorized creomccsd_t_n2_mem_6dts.F:1862:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem_6dts.F:1830:0: note: loop vectorized creomccsd_t_n2_mem_6dts.F:1830:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem_6dts.F:1798:0: note: loop vectorized creomccsd_t_n2_mem_6dts.F:1798:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem_6dts.F:1766:0: note: loop vectorized creomccsd_t_n2_mem_6dts.F:1766:0: note: loop peeled for vectorization to enhance alignment creomccsd_t_n2_mem_6dts.F:1734:0: note: loop vectorized creomccsd_t_n2_mem_6dts.F:1734:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_6dts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_ccsd_t_N_6dts.F cr_ccsd_t_N_6dts.F:1693:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1693:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1662:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1662:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1631:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1631:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1600:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1600:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1569:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1569:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1538:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1538:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1507:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1507:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1476:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1476:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1445:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1445:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1131:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1131:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1100:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1100:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1069:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1069:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1038:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1038:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1007:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1007:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:976:0: note: loop vectorized cr_ccsd_t_N_6dts.F:976:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:945:0: note: loop vectorized cr_ccsd_t_N_6dts.F:945:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:914:0: note: loop vectorized cr_ccsd_t_N_6dts.F:914:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:883:0: note: loop vectorized cr_ccsd_t_N_6dts.F:883:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1166:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1166:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1197:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1197:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1228:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1228:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1259:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1259:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1290:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1290:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1321:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1321:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1352:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1352:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1383:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1383:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_N_6dts.F:1414:0: note: loop vectorized cr_ccsd_t_N_6dts.F:1414:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_ccsd_t_E_6dts.F cr_ccsd_t_E_6dts.F:1247:0: note: loop vectorized cr_ccsd_t_E_6dts.F:1247:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:1218:0: note: loop vectorized cr_ccsd_t_E_6dts.F:1218:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:1189:0: note: loop vectorized cr_ccsd_t_E_6dts.F:1189:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:1160:0: note: loop vectorized cr_ccsd_t_E_6dts.F:1160:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:1131:0: note: loop vectorized cr_ccsd_t_E_6dts.F:1131:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:1102:0: note: loop vectorized cr_ccsd_t_E_6dts.F:1102:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:1073:0: note: loop vectorized cr_ccsd_t_E_6dts.F:1073:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:1044:0: note: loop vectorized cr_ccsd_t_E_6dts.F:1044:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:1015:0: note: loop vectorized cr_ccsd_t_E_6dts.F:1015:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:984:0: note: loop vectorized cr_ccsd_t_E_6dts.F:984:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:956:0: note: loop vectorized cr_ccsd_t_E_6dts.F:956:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:928:0: note: loop vectorized cr_ccsd_t_E_6dts.F:928:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:900:0: note: loop vectorized cr_ccsd_t_E_6dts.F:900:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:872:0: note: loop vectorized cr_ccsd_t_E_6dts.F:872:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:844:0: note: loop vectorized cr_ccsd_t_E_6dts.F:844:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:816:0: note: loop vectorized cr_ccsd_t_E_6dts.F:816:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:788:0: note: loop vectorized cr_ccsd_t_E_6dts.F:788:0: note: loop peeled for vectorization to enhance alignment cr_ccsd_t_E_6dts.F:760:0: note: loop vectorized cr_ccsd_t_E_6dts.F:760:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_6dts_d4d5_parallel.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr-eomccsd_t' Making all in lrh make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_loc_j1.F tce_loc_j1.F:177:0: note: loop vectorized tce_loc_j1.F:177:0: note: loop peeled for vectorization to enhance alignment tce_loc_j1.F:253:0: note: loop vectorized tce_loc_j1.F:253:0: note: loop peeled for vectorization to enhance alignment tce_loc_j1.F:341:0: note: loop vectorized tce_loc_j1.F:341:0: note: loop versioned for vectorization because of possible aliasing tce_loc_j1.F:341:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tce_loc_j2.F tce_loc_j2.F:156:0: if (restricted.and.(spin_sum.eq.6).and.(spin_suml.eq.4)) ^ Warning: 'spin_suml' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:47:0: integer spin_sum,spin_suml ^ note: 'spin_suml' was declared here tce_loc_j2.F:47:0: Warning: 'spin_sum' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:103:0: ip2alpha=int_mb(k_offset+p2alpha-1)+p2 ^ Warning: 'p2alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:48:0: integer p2alpha ^ note: 'p2alpha' was declared here tce_loc_j2.F:159:0: 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN ^ Warning: 'ip2alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:50:0: integer ip2alpha ^ note: 'ip2alpha' was declared here tce_loc_j2.F:159:0: 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN ^ Warning: 'ih4alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:51:0: integer ih4alpha ^ note: 'ih4alpha' was declared here tce_loc_j2.F:104:0: ih4alpha=int_mb(k_offset+h4alpha-1)+h4 ^ Warning: 'h4alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:49:0: integer h4alpha ^ note: 'h4alpha' was declared here tce_loc_j2.F:278:0: note: loop vectorized tce_loc_j2.F:278:0: note: loop peeled for vectorization to enhance alignment tce_loc_j2.F:373:0: note: loop vectorized tce_loc_j2.F:373:0: note: loop peeled for vectorization to enhance alignment tce_loc_j2.F:479:0: note: loop vectorized tce_loc_j2.F:479:0: note: loop versioned for vectorization because of possible aliasing tce_loc_j2.F:479:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a tce_loc_j1.o tce_loc_j2.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lrh' Making all in emb make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT c1v.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT c2vt1_s.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT emb1.F emb1.F:417:0: note: loop vectorized emb1.F:417:0: note: loop versioned for vectorization because of possible aliasing emb1.F:417:0: note: loop peeled for vectorization to enhance alignment emb1.F:412:0: note: loop vectorized emb1.F:412:0: note: loop versioned for vectorization because of possible aliasing emb1.F:412:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT emb2.F emb2.F:422:0: note: loop vectorized emb2.F:422:0: note: loop versioned for vectorization because of possible aliasing emb2.F:422:0: note: loop peeled for vectorization to enhance alignment emb2.F:417:0: note: loop vectorized emb2.F:417:0: note: loop versioned for vectorization because of possible aliasing emb2.F:417:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/emb' Making all in response make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_o1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_o2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_o1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_o2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_o1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_o2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_o3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdtq_o1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdtq_o2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdtq_o3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdtq_o4.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/response' Making all in ccsd_yr make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_y_o1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_y_o2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_yr1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_yr2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_y_tr1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_y_tr2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_yr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_lr_d1_hh.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_lr_d1_ph.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_lr_d1_hp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_lr_d1_pp.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_yr' Making all in ccsd_alpha make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_2_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_2_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_2_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_2_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_1_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_2_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_2_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_9_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_9_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_9_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3_9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_4_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_8_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_11_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_11_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_11.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_12_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_12_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_13_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_13_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_13_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_13_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_13.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_14_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_14_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_14_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_14_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_14.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_4_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5_9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_6_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_4_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_7_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_3_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_5_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_5_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_6_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_6_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_6_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_6_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_6_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_6_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_6_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_7_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_8_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT alpha_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT dip_r_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT dip_r_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT dip_r_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT dip_r_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT dip_r.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_alpha_1_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include 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-Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_alpha_2_8_8_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_alpha_2_8_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT offset_dip_r_1_1.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_alpha' Making all in ccsd_beta make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT beta_1_all.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT beta_2_all.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT beta_3_all.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT beta_4_all.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT beta_all_offsets.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_beta' Making all in ccd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccd_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccd_t2.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a ccd_e.o ccd_t2.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccd' Making all in lccd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT lccd_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT lccd_t2.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a lccd_e.o lccd_t2.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccd' Making all in lccsd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT lccsd_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT lccsd_t1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT lccsd_t2.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/lccsd' Making all in qcisd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT qcisd_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT qcisd_t1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT qcisd_t2.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/qcisd' Making all in cc3 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cc3_t3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt1b_t3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt2_t3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt3_t3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt1_x3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomcc3_x3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt3_x3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cc3_lambda3.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cc3' Making all in mbpt1 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt1_t1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt1_t2.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a mbpt1_t1.o mbpt1_t2.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt1' Making all in mbpt2 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt2_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt2_t1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt2_t2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt2_t2_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt2_t3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt2_t1_sd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt2_t2_sd.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt2' Making all in mbpt3 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt3_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt3_t1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt3_t2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt3_t1_sd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt3_t2_sd.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt3' Making all in mbpt4 make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mbpt4_e.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a mbpt4_e.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/mbpt4' Making all in cis make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cis_x1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cis_xdiagon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cis_xtidy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cis_xguess.F cis_xguess.F:62:0: note: loop vectorized cis_xguess.F:62:0: note: loop versioned for vectorization because of possible aliasing cis_xguess.F:62:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cis' Making all in cisd make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cisd_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cisd_c1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cisd_c2.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a cisd_e.o cisd_c1.o cisd_c2.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisd' Making all in cisdt make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cisdt_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cisdt_c1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cisdt_c2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cisdt_c3.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdt' Making all in cisdtq make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cisdtq_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cisdtq_c1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cisdtq_c2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cisdtq_c3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cisdtq_c4.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cisdtq' Making all in ccsdt make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t1a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t2a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_1_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_1_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_1_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_1_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_2_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_2_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_2_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_3_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_3_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_3_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_3_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_3_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_4_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_5_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_5_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_6_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_6_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_8_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_8_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_1_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_8_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_8_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_8_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_8_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_1_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_1_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_1_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_1_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_2_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_2_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_2_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_3_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_3_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_3_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_3_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_3_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_4_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_5_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_5_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_6_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_6_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_8_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_8_1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_1_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_8_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_8_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_8_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_8_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_t3a_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_t3a_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT acolo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT acolo_o.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT acolo_o_1p.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT acolo_o_2p.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT acolo_1p_2h.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT acolo_2h.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT acolo_1h.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT acolo_1p_1h.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT acolo_2p_1h.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT acolo_1p.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT acolo_1a_2h.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt' Making all in ccsdt_lambda make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_density1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_2_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_3_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_3_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_3_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_5_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_2_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_5_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_5_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_5_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_6_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_5_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_6_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_6_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_6_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_6_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_6_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_6_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_7_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_2_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_2_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_2_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_4_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_4_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_6_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_6_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_6_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_6_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_6_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_7_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_7_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_9_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_10_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_10_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_10_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_11.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_12_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_12_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_12_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_12_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_13.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_13_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_13_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_13_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_13_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_14.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_14_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_8_14_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_8_14_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_9_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_4_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_9_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_9_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_5_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_9_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_9_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_10_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_10_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_10_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_10_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_11.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_11_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_11_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_11_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_11_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_12_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_12_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_12_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_12_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_13.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_13_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_13_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_13_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_14_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_14_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_3_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_3_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_14_3_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_3_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_14_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_14_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_14_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_14_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_14_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_8_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_14_8_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_8_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_14_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_14_9_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_14_9_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_15.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_15_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_15_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_15_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_15_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_15_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_15_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_15_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_15_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_15_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_16.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_16_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_16_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_16_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_16_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_16_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_16_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_16_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_16_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_16_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_16_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_17.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_17_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_17_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_18_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_18_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_1_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_18_1_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_1_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_18_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_18_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_18_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_18_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_18_6_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_18_6_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_19.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_19_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_19_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_20.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_20_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_20_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_20_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_20_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_21.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_21_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_21_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_21_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_21_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_21_1_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_21_1_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_21_1_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_21_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_21_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_21_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda1_21_2_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda1_21_2_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_5_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_5_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_5_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_5_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_6_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_6_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_6_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_6_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_6_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_7_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_7_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_7_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_7_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_7_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_8_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_8_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_10_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_10_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_10_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_2_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_10_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_3_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_10_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_10_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_11_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_11_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_11_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_2_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_11_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_11_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_11_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_11_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_12_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_12_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_12_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_12_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_12_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_12_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_12_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_12_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_12_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_12_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_12_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_12_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_12_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_12_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_12_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_13.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_13_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_13_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_13_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_13_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_14.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_14_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_14_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_14_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_15.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_15_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_15_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_15_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_16.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_16_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_16_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_16_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_17.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_17_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_17_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_18.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_18_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_18_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_18_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_19.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_19_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_19_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_19_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_19_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_19_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_19_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_19_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_19_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_19_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_20.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_20_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_20_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_21.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_21_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_21_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_22.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_22_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_22_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_23.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_23_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_23_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_23_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_23_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_23_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_23_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_23_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_23_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_23_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_24.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_24_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_24_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_24_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_24_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_25.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_25_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_25_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_25_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_25_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_26.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_26_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_26_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_26_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_26_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_26_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_26_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_26_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsdt_lambda2_26_2_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_ccsdt_lambda2_26_2_1_1.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsdt_lambda' Making all in eomccsdt make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_denominator.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x1a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3_4_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_4_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_10_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_10_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_10_2_2_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_10_2_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_10_2_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_10_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_10_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_10_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_11_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_11.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_12_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_13_1_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_13_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_13.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3_4_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_4_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_5_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_5_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_6_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_7_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_7.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_8_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_8_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_8_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_9_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_9_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5_9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_6_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_6_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_6_3_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_6_3_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_6_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_6_4_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_6_4_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_6_4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_6_5_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_6_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_density1_6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2a_all12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2a_all15.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2a_all18.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2a_all3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2a_all6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2a_all9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2_all12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2_all15.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2_all18.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2_all3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2_all6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x2_all9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3a_all12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3a_all15.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3a_all17.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3a_all3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3a_all6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3a_all9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3_all12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3_all15.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3_all17.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3_all3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3_all6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3_all9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_x3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y1_all12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y1_all15.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y1_all18.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y1_all20.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y1_all3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y1_all6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y1_all9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y2_all12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y2_all15.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y2_all18.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y2_all21.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y2_all24.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y2_all25.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y2_all3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y2_all6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y2_all9.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsdt_y2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_eomccsdt_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_eomccsdt_2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT OFFSET_eomccsdt_3.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsdt' Making all in ccsd_act make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_ea.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t1a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t2a.F ccsd_t2a.F:8723:0: note: loop vectorized ccsd_t2a.F:8723:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2a.F:8723:0: note: loop peeled for vectorization to enhance alignment ccsd_t2a.F:8723:0: note: loop vectorized ccsd_t2a.F:8723:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2a.F:8723:0: note: loop peeled for vectorization to enhance alignment ccsd_t2a.F:8723:0: note: loop vectorized ccsd_t2a.F:8723:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2a.F:8723:0: note: loop peeled for vectorization to enhance alignment ccsd_t2a.F:8530:0: note: loop vectorized ccsd_t2a.F:8530:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2a.F:8530:0: note: loop peeled for vectorization to enhance alignment ccsd_t2a.F:8530:0: note: loop vectorized ccsd_t2a.F:8530:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2a.F:8530:0: note: loop peeled for vectorization to enhance alignment ccsd_t2a.F:8530:0: note: loop vectorized ccsd_t2a.F:8530:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2a.F:8530:0: note: loop peeled for vectorization to enhance alignment ccsd_t2a.F:8271:0: note: loop vectorized ccsd_t2a.F:8271:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2a.F:8271:0: note: loop peeled for vectorization to enhance alignment ccsd_t2a.F:8271:0: note: loop vectorized ccsd_t2a.F:8271:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2a.F:8271:0: note: loop peeled for vectorization to enhance alignment ccsd_t2a.F:8271:0: note: loop vectorized ccsd_t2a.F:8271:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2a.F:8271:0: note: loop peeled for vectorization to enhance alignment ccsd_t2a.F:8078:0: note: loop vectorized ccsd_t2a.F:8078:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2a.F:8078:0: note: loop peeled for vectorization to enhance alignment ccsd_t2a.F:8078:0: note: loop vectorized ccsd_t2a.F:8078:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2a.F:8078:0: note: loop peeled for vectorization to enhance alignment ccsd_t2a.F:8078:0: note: loop vectorized ccsd_t2a.F:8078:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2a.F:8078:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT activity.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/ccsd_act' Making all in eomccsd_act make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_x1a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT eomccsd_x2a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT q2na_hc1.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/eomccsd_act' Making all in cr_eomccsd_t_act make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_ccsd_t_E_act.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_t_act.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT q3rexpt2_act.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_ccsd_t_N_act.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT creomccsd_t_n2_act_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomccsd_tasim.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT cr_eomt_simac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_d_act.F make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/cr_eomccsd_t_act' Making all in sort make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' cc -c -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o tce_sort_4kg.o tce_sort_4kg.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_sort0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec tce_sortacc0.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG new_sort2.F new_sort2.F:22:0: note: loop vectorized new_sort2.F:22:0: note: loop peeled for vectorization to enhance alignment new_sort2.F:47:0: note: loop vectorized new_sort2.F:47:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG new_sort4.F new_sort4.F:249:0: note: loop vectorized new_sort4.F:249:0: note: loop peeled for vectorization to enhance alignment new_sort4.F:267:0: note: loop vectorized new_sort4.F:267:0: note: loop peeled for vectorization to enhance alignment new_sort4.F:285:0: note: loop vectorized new_sort4.F:285:0: note: loop peeled for vectorization to enhance alignment new_sort4.F:302:0: note: loop vectorized new_sort4.F:302:0: note: loop peeled for vectorization to enhance alignment new_sort4.F:337:0: note: loop vectorized new_sort4.F:337:0: note: loop peeled for vectorization to enhance alignment new_sort4.F:355:0: note: loop vectorized new_sort4.F:355:0: note: loop peeled for vectorization to enhance alignment new_sort4.F:373:0: note: loop vectorized new_sort4.F:373:0: note: loop peeled for vectorization to enhance alignment new_sort4.F:390:0: note: loop vectorized new_sort4.F:390:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG new_sort6.F new_sort6.F:43:0: note: loop vectorized new_sort6.F:43:0: note: loop peeled for vectorization to enhance alignment new_sort6.F:68:0: note: loop vectorized new_sort6.F:68:0: note: loop peeled for vectorization to enhance alignment new_sort6.F:93:0: note: loop vectorized new_sort6.F:93:0: note: loop peeled for vectorization to enhance alignment new_sort6.F:118:0: note: loop vectorized new_sort6.F:118:0: note: loop peeled for vectorization to enhance alignment new_sort6.F:143:0: note: loop vectorized new_sort6.F:143:0: note: loop peeled for vectorization to enhance alignment new_sort6.F:167:0: note: loop vectorized new_sort6.F:167:0: note: loop peeled for vectorization to enhance alignment new_sort6.F:219:0: note: loop vectorized new_sort6.F:219:0: note: loop peeled for vectorization to enhance alignment new_sort6.F:244:0: note: loop vectorized new_sort6.F:244:0: note: loop peeled for vectorization to enhance alignment new_sort6.F:269:0: note: loop vectorized new_sort6.F:269:0: note: loop peeled for vectorization to enhance alignment new_sort6.F:294:0: note: loop vectorized new_sort6.F:294:0: note: loop peeled for vectorization to enhance alignment new_sort6.F:319:0: note: loop vectorized new_sort6.F:319:0: note: loop peeled for vectorization to enhance alignment new_sort6.F:343:0: note: loop vectorized new_sort6.F:343:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_sort8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tce_sortacc8.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec tce_sort1.f tce_sort1.f:32:0: note: loop vectorized tce_sort1.f:32:0: note: loop versioned for vectorization because of possible aliasing tce_sort1.f:32:0: note: loop peeled for vectorization to enhance alignment tce_sort1.f:53:0: note: loop vectorized tce_sort1.f:53:0: note: loop versioned for vectorization because of possible aliasing tce_sort1.f:53:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' make[3]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[3]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce/sort' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_imaginary.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libtce.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tce' Making libraries in bq make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/bq' Making libraries in mm make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mm_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mm_data.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mm_coords.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mm_vdw.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmm.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmm.a mm_input.o mm_data.o mm_coords.o mm_vdw.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmm.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmm.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libmm.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/mm' Making libraries in cons make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/cons' Making libraries in perfm make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[2]: `/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libperfm.a' is up to date. make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/perfm' Making libraries in dntmc make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dntmc_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dntmc_setgeom.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG gibbs.F gibbs.F:4883:0: note: loop vectorized gibbs.F:4883:0: note: loop peeled for vectorization to enhance alignment gibbs.F:4877:0: note: loop vectorized gibbs.F:4877:0: note: loop peeled for vectorization to enhance alignment gibbs.F:4848:0: note: loop vectorized gibbs.F:4848:0: note: loop peeled for vectorization to enhance alignment gibbs.F:4848:0: note: loop vectorized gibbs.F:4848:0: note: loop peeled for vectorization to enhance alignment gibbs.F:4843:0: note: loop vectorized gibbs.F:4843:0: note: loop peeled for vectorization to enhance alignment gibbs.F:4826:0: note: loop vectorized gibbs.F:4780:0: note: loop vectorized gibbs.F:4780:0: note: loop peeled for vectorization to enhance alignment gibbs.F:4787:0: note: loop vectorized gibbs.F:4787:0: note: loop peeled for vectorization to enhance alignment gibbs.F:4768:0: note: loop vectorized gibbs.F:4768:0: note: loop peeled for vectorization to enhance alignment gibbs.F:4760:0: note: loop vectorized gibbs.F:4760:0: note: loop peeled for vectorization to enhance alignment gibbs.F:4668:0: note: loop vectorized gibbs.F:4668:0: note: loop peeled for vectorization to enhance alignment gibbs.F:4549:0: integer spctagsum, spctagpoint ^ Warning: 'spctagpoint' may be used uninitialized in this function [-Wmaybe-uninitialized] gibbs.F:4460:0: note: loop vectorized gibbs.F:4460:0: note: loop peeled for vectorization to enhance alignment gibbs.F:4360:0: note: loop vectorized gibbs.F:4360:0: note: loop peeled for vectorization to enhance alignment gibbs.F:4116:0: note: loop vectorized gibbs.F:4116:0: note: loop peeled for vectorization to enhance alignment gibbs.F:3571:0: note: loop vectorized gibbs.F:3571:0: note: loop peeled for vectorization to enhance alignment gibbs.F:3323:0: note: loop vectorized gibbs.F:3323:0: note: loop peeled for vectorization to enhance alignment gibbs.F:3042:0: note: loop vectorized gibbs.F:3042:0: note: loop peeled for vectorization to enhance alignment gibbs.F:3036:0: note: loop vectorized gibbs.F:3036:0: note: loop peeled for vectorization to enhance alignment gibbs.F:2982:0: note: loop vectorized gibbs.F:2982:0: note: loop peeled for vectorization to enhance alignment gibbs.F:2978:0: note: loop vectorized gibbs.F:2972:0: note: loop vectorized gibbs.F:2077:0: note: loop vectorized gibbs.F:2077:0: note: loop peeled for vectorization to enhance alignment gibbs.F:1733:0: note: loop vectorized gibbs.F:1733:0: note: loop peeled for vectorization to enhance alignment gibbs.F:1462:0: logical new_markov_chain ^ Warning: 'new_markov_chain' is used uninitialized in this function [-Wuninitialized] make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdntmc.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdntmc.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdntmc.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdntmc.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dntmc' Making libraries in dangchang make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dc_initialize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dc_setgeom.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dc_energy.F dc_energy.F:410:0: note: loop vectorized dc_energy.F:359:0: note: loop vectorized make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdangchang.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdangchang.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdangchang.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libdangchang.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/dangchang' Making libraries in ccca make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../basis -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_ccca.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../basis -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccca_utils.F make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libccca.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libccca.a task_ccca.o ccca_utils.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libccca.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libccca.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/libccca.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/ccca' Making libraries in 64to32blas make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yscal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ycopy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ydot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygemm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygemv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG iyamax.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygesv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygesvd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yaxpy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yspsvx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yposv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ysyev.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yger.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yrot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylaset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yswap.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygebak.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygebal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ynrm2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylacpy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylascl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylange.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ytrevc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yhseqr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yorghr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygehrd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ysterf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylarnv.F ylarnv.F:15:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylagtf.F ylagtf.F:19:0: note: loop vectorized ylagtf.F:19:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylagts.F ylagts.F:19:0: note: loop vectorized ylagts.F:19:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yasum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ypotri.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ypotrf.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ysygv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygeev.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygeevx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ifily.F ifily.F:9:0: note: loop vectorized ifily.F:9:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xscal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xaxpy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xgemm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xheev.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xcopy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xdotc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ixamax.F make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' make[2]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' Got lock on /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/lib64to32.lock ar r /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ifily.o xscal.o xaxpy.o xgemm.o xheev.o xcopy.o xdotc.o ixamax.o ar: creating /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/lib64to32.a echo /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/lib64to32.a /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64/lib64to32.a make[2]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/64to32blas' make nwchem.o stubs.o make[1]: Entering directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src' ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'" -c -o nwchem.o nwchem.F ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/include -I/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'" -c -o stubs.o stubs.F make[1]: Leaving directory `/mnt/abc/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src' ftn -L/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/lib/LINUX64 -L/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/src/tools/install/lib -o /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -l64to32 -lsci_gnu /bin/rm -f nwchem.o stubs.o if [ $? -ne 0 ] ; then echo "$PACKAGE build failed" exit 1 fi #-- Install mkdir ${SW_BLDDIR}/bin mkdir ${SW_BLDDIR}/data mkdir ${SW_BLDDIR}/etc cp $NWCHEM_TOP/bin/${NWCHEM_TARGET}/nwchem ${SW_BLDDIR}/bin chmod o+rx ${SW_BLDDIR}/bin/nwchem cp -a ${SW_BLDDIR}/${SRCDIR}/src/basis/libraries ${SW_BLDDIR}/data cp -a ${SW_BLDDIR}/${SRCDIR}/src/data/* ${SW_BLDDIR}/data cp -r ${SW_BLDDIR}/${SRCDIR}/src/nwpw/libraryps ${SW_BLDDIR}/data cat << EOF > ${SW_BLDDIR}/etc/nwchemrc nwchem_basis_library ${SW_BLDDIR}/data/libraries/ nwchem_nwpw_library ${SW_BLDDIR}/data/libraryps/ ffield amber amber_1 ${SW_BLDDIR}/data/amber_s/ amber_2 ${SW_BLDDIR}/data/amber_q/ amber_3 ${SW_BLDDIR}/data/amber_x/ amber_4 ${SW_BLDDIR}/data/amber_u/ spce ${SW_BLDDIR}/data/solvents/spce.rst charmm_s ${SW_BLDDIR}/data/charmm_s/ charmm_x ${SW_BLDDIR}/data/charmm_x/ EOF ############################### if this far, return 0 exit 0 ['/scratch/system/bwjenkins/tests/nwchem/6.6'] /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/rebuild : passed (0) [SSH] completed [SSH] exit-status: 0 [SSH] script: PATH="/sw/tools/bin:/sw/tools/bin:$PATH" SW_CONFIG="/scratch/system/bwjenkins/sw_config" PYTHONPATH="/sw/tools/bin:/sw/tools/bin:$PYTHONPATH" SW_ROOT="/scratch/system/bwjenkins/tests" SW_WORKDIR="/scratch/system/bwjenkins/sw_workdir" echo $PATH $SW_CONFIG $PYTHONPATH SW_WORKDIR > /dev/null export SW_CONFIG=$SW_CONFIG export SW_WORKDIR=$SW_WORKDIR cd $SW_ROOT cd nwchem/6.6/cle5.2_gnu5.1.0 swtestwait [SSH] executing... Submitted job 591567.jyc is running. Following .running ... 591567.jyc argument 1 = Input_c240_pbe0.nw ============================== echo of input deck ============================== echo start c240 memory stack 600 mb heap 50 mb global 400 mb noverify #scratch_dir /scratch geometry units angstrom noautoz symmetry c1 C -2.281342 4.587967 4.598389 C -2.163620 5.608307 3.610657 C -3.035400 5.630814 2.448380 C -2.598221 6.220490 1.216995 C -3.314468 5.983368 -0.007492 C -4.476868 4.028839 3.625458 C -4.205200 4.810272 2.468735 C -4.930496 4.563858 1.218552 C -4.491714 5.125992 0.012085 C -3.447052 3.781830 4.620193 C 0.158890 4.818054 5.102020 C 0.181076 5.961777 4.279022 C -0.947586 6.359512 3.557632 C -1.093765 4.176498 5.349075 C -2.306000 2.143768 6.094131 C -1.128693 2.963745 6.079330 C -3.478760 2.552400 5.362061 C -5.606659 3.143860 3.598740 C -4.514542 1.590210 5.133850 C -5.613495 1.966141 4.312393 C 2.575500 4.476532 4.583984 C 2.492889 5.511398 3.581207 C 3.308090 5.489700 2.422394 C 2.847504 6.086060 1.169830 C 3.512115 5.847488 -0.032288 C 1.295074 6.313600 3.553452 C 1.413100 4.120712 5.337097 C -5.046661 -0.794907 4.618820 C -5.996689 -0.366486 3.621780 C -6.281952 -1.177551 2.471466 C -6.721237 -0.573166 1.231200 C -6.721115 -1.326370 0.017288 C -6.335770 1.023224 3.591690 C -4.304977 0.188828 5.360260 C -3.139084 -0.212646 6.100311 C 0.081879 1.156265 7.191818 C -1.038132 0.381668 7.199600 C -2.242004 0.793808 6.564178 C 0.127670 2.411163 6.554962 C 1.376022 2.901947 6.075867 C 3.720000 3.613846 4.564987 C 4.715469 3.818283 3.572525 C 4.463913 4.636276 2.403183 C 5.154221 4.405411 1.174545 C 4.703796 5.001190 -0.053680 C -1.432159 -1.956421 6.577133 C -0.670486 -0.942596 7.229706 C -2.747894 -1.603119 6.094482 C -3.478989 -2.567642 5.369919 C -4.653976 -2.161926 4.614151 C -5.197128 -3.049683 3.633484 C -5.866226 -2.544052 2.466766 C -5.855911 -3.303268 1.231827 C -6.267044 -2.707489 0.017838 C 3.690735 2.376968 5.327179 C 2.543076 2.028885 6.067291 C 2.407074 0.684982 6.557129 C 1.191437 0.332932 7.221466 C 0.735352 -0.992142 7.238327 C 5.815781 2.895920 3.521881 C 5.106384 -1.031204 4.567413 C 6.064880 -0.636398 3.567581 C 6.291779 -1.429077 2.410324 C 6.709442 -0.811920 1.156600 C 6.670029 -1.524933 -0.042038 C 6.465179 0.748276 3.528030 C 5.785538 1.705963 4.250702 C 4.698105 1.373444 5.076614 C -2.921341 -5.753769 3.571700 C -1.487717 -5.855667 3.604904 C -0.814056 -6.373337 2.439957 C -1.521591 -6.589935 1.212067 C -0.815628 -6.809708 -0.011185 C -0.792786 -5.097672 4.590271 C -1.485077 -4.082718 5.352325 C -2.900360 -3.862656 5.117722 C -3.587784 -4.775269 4.304123 C -4.712662 -4.402771 3.588531 C 3.444565 -2.729233 5.321991 C 4.630356 -2.377792 4.561539 C 4.410477 -0.023636 5.322876 C 3.247955 -0.368011 6.066437 C 2.762085 -1.735260 6.064392 C 1.442551 -2.028824 6.561111 C 0.640442 -5.132553 4.589569 C 1.380905 -4.153290 5.334854 C 0.702087 -3.152420 6.076965 C -0.757339 -3.118744 6.084885 C 2.800186 -3.994095 5.084030 C 3.450073 -4.936371 4.267776 C 1.306732 -5.928940 3.596436 C 0.622620 -6.397705 2.441010 C 1.336914 -6.618240 1.192703 C 0.644928 -6.807007 -0.008987 C 2.748398 -5.885086 3.554871 C 5.132614 -3.274719 3.574570 C 5.831253 -2.789703 2.405655 C 5.815720 -3.527924 1.179398 C 6.233582 -2.920303 -0.049622 C 4.591705 -4.604752 3.537811 C -0.536224 6.964478 2.354218 C 0.865067 6.926071 2.338135 C -1.295303 6.826416 1.124420 C -0.615600 6.915833 -0.126144 C 1.558655 6.737503 1.117233 C 0.841339 6.865524 -0.143723 C -6.798706 1.610200 2.390091 C -6.335495 2.932495 2.383636 C -6.904129 0.850052 1.160095 C -6.788712 1.533768 -0.095245 C -5.947433 3.545502 1.160583 C -6.294678 2.900757 -0.100662 C -3.622513 -6.001526 2.374680 C -4.738495 -5.151596 2.377151 C -2.937469 -6.324844 1.140594 C -3.552536 -5.997055 -0.107941 C -5.204193 -4.585709 1.156250 C -4.703308 -5.107895 -0.102310 C 4.608597 -5.347473 2.340088 C 3.449066 -6.142365 2.339508 C 5.127106 -4.795273 1.103149 C 4.622421 -5.273941 -0.141754 C 2.765274 -6.401215 1.122559 C 3.411179 -6.087860 -0.141541 C 6.517166 2.688507 2.318253 C 6.914017 1.340561 2.308716 C 6.145111 3.358047 1.084030 C 6.432526 2.735504 -0.162582 C 6.938019 0.615250 1.091568 C 6.828200 1.329849 -0.172058 C -3.455124 6.047440 -2.451965 C -4.575836 5.227280 -2.436646 C -5.061386 4.679428 -1.252472 C -2.749603 6.367615 -1.258362 C -2.818665 5.899277 -3.670929 C -4.682037 4.552826 -3.662720 C -3.557434 4.928391 -4.437302 C -6.875809 -1.431961 -2.431549 C -6.450317 -2.769424 -2.431427 C -6.032990 -3.397964 -1.228561 C -6.935455 -0.663528 -1.239548 C -6.525100 -0.876144 -3.653915 C -5.825485 -3.088028 -3.681732 C -5.831146 -1.887300 -4.433945 C -4.470474 -4.850616 -2.595810 C -3.319061 -5.720184 -2.600555 C -2.856995 -6.265854 -1.341095 C -5.131378 -4.527283 -1.323456 C -4.724380 -4.049622 -3.767029 C -2.440353 -5.731857 -3.768417 C -2.518555 -4.706360 -4.785233 C -5.970993 2.737595 -2.592667 C -6.449493 1.380569 -2.590363 C -6.835892 0.779312 -1.326202 C -5.871643 3.476044 -1.321472 C -5.271408 3.216843 -3.755997 C -6.182053 0.535034 -3.755081 C -5.221054 0.920914 -4.770538 C -0.758102 -6.964478 -2.451019 C 0.634155 -6.960739 -2.449203 C 1.354126 -6.790009 -1.273132 C -1.506546 -6.797913 -1.257187 C -1.195190 -6.487274 -3.668304 C 1.110840 -6.501007 -3.681808 C -0.027176 -6.147339 -4.447739 C 3.231964 -5.782028 -2.632065 C 4.421875 -4.962708 -2.636581 C 5.087051 -4.695862 -1.381500 C 2.724915 -6.302368 -1.353958 C 2.381287 -5.770859 -3.790039 C 4.692673 -4.129578 -3.808746 C 3.686279 -3.887543 -4.820602 C 6.384476 -2.905212 -2.490494 C 6.796951 -1.574600 -2.483414 C 6.858002 -0.841080 -1.309036 C 6.007751 -3.571213 -1.293045 C 5.791473 -3.173447 -3.706619 C 6.494781 -0.978134 -3.711731 C 5.813843 -1.952667 -4.479752 C 6.461014 1.259033 -2.656418 C 6.053055 2.645905 -2.653214 C 6.019531 3.360825 -1.400421 C 6.810013 0.614716 -1.381439 C 6.184235 0.455078 -3.811142 C 5.340179 3.162537 -3.820908 C 4.794952 2.279282 -4.829605 C 4.723389 5.161072 -2.496597 C 3.589966 5.971695 -2.479370 C 2.916763 6.250793 -1.298065 C 5.244339 4.590652 -1.300858 C 4.780960 4.508865 -3.714584 C 2.919205 5.865829 -3.707947 C 3.627640 4.910385 -4.482025 C 0.787903 6.515564 -2.633316 C -0.655273 6.543564 -2.619644 C -1.343689 6.722824 -1.360596 C 1.515320 6.646866 -1.359940 C 1.461395 6.007904 -3.796570 C -1.371109 6.021347 -3.783722 C -0.704391 5.234131 -4.799683 C 1.487015 4.197433 -5.560700 C 0.756012 5.231171 -4.814621 C 2.926880 3.972763 -5.329819 C 3.573654 2.674271 -5.569458 C 4.482239 -0.138321 -5.570816 C 5.236160 0.883300 -4.833100 C 4.712509 -1.580353 -5.330139 C 3.683426 -2.602142 -5.565200 C 1.292618 -4.333145 -5.553802 C 2.497345 -4.739594 -4.817734 C -0.008987 -4.988220 -5.303207 C -1.296432 -4.318054 -5.533035 C -3.681946 -2.577438 -5.526932 C -3.698471 -3.843857 -4.785553 C -4.711990 -1.546844 -5.282089 C -4.470688 -0.119995 -5.515869 C -3.550995 2.677689 -5.525055 C -4.759735 2.304413 -4.776276 C -2.889908 3.974976 -5.290649 C -1.459198 4.191818 -5.537811 C 1.459061 1.973221 -6.689713 C 0.746200 3.175430 -6.259521 C 2.828247 1.664368 -6.269196 C 0.689056 0.909729 -7.219086 C 2.366074 -0.804565 -6.693527 C 3.286438 0.249863 -6.271927 C 2.495361 -2.204208 -6.265991 C 1.117661 -0.401016 -7.221893 C 0.006531 -2.522263 -6.676620 C 1.293411 -3.075928 -6.260117 C -1.283264 -3.069443 -6.239258 C 0.004333 -1.212753 -7.212982 C -2.355179 -0.806305 -6.659775 C -2.483887 -2.196000 -6.233673 C -3.276642 0.249542 -6.226471 C -1.111603 -0.404495 -7.203903 C -1.455704 1.965561 -6.667694 C -2.816849 1.658600 -6.231796 C -0.737030 3.172806 -6.246613 C -0.688217 0.906082 -7.207108 end basis cartesian # 6-31G* EMSL Basis Set Exchange Library 9/15/09 10:05 AM # BASIS SET: (10s,4p,1d) -> [3s,2p,1d] C S 3047.5249000 0.0018347 457.3695100 0.0140373 103.9486900 0.0688426 29.2101550 0.2321844 9.2866630 0.4679413 3.1639270 0.3623120 C SP 7.8682724 -0.1193324 0.0689991 1.8812885 -0.1608542 0.3164240 0.5442493 1.1434564 0.7443083 C SP 0.1687144 1.0000000 1.0000000 C D 0.8000000 1.0000000 end dft xc pbe0 direct iterations 4 print "dft timings" end task dft energy ignore ================================================================================ Northwest Computational Chemistry Package (NWChem) 6.6 ------------------------------------------------------ Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Richland, WA 99352 Copyright (c) 1994-2015 Pacific Northwest National Laboratory Battelle Memorial Institute NWChem is an open-source computational chemistry package distributed under the terms of the Educational Community License (ECL) 2.0 A copy of the license is included with this distribution in the LICENSE.TXT file ACKNOWLEDGMENT -------------- This software and its documentation were developed at the EMSL at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, Office of Basic Energy Sciences, and the Office of Advanced Scientific Computing. Job information --------------- hostname = nid00063 program = nwchem date = Wed Sep 22 15:52:12 2021 compiled = Wed_Sep_22_15:50:53_2021 source = /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6 nwchem branch = 6.6 nwchem revision = 27746 ga revision = 10594 input = Input_c240_pbe0.nw prefix = c240. data base = ./c240.db status = startup nproc = 248 time left = -1s Memory information ------------------ heap = 6553596 doubles = 50.0 Mbytes stack = 78643201 doubles = 600.0 Mbytes global = 52428800 doubles = 400.0 Mbytes (distinct from heap & stack) total = 137625597 doubles = 1050.0 Mbytes verify = no hardfail = no Directory information --------------------- 0 permanent = . 0 scratch = . NWChem Input Module ------------------- Scaling coordinates for geometry "geometry" by 1.889725989 (inverse scale = 0.529177249) Turning off AUTOSYM since SYMMETRY directive was detected! Geometry "geometry" -> "" ------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 C 6.0000 -2.30427388 4.60936584 4.67669561 2 C 6.0000 -2.18655188 5.62970584 3.68896361 3 C 6.0000 -3.05833188 5.65221284 2.52668661 4 C 6.0000 -2.62115288 6.24188884 1.29530161 5 C 6.0000 -3.33739988 6.00476684 0.07081461 6 C 6.0000 -4.49979988 4.05023784 3.70376461 7 C 6.0000 -4.22813188 4.83167084 2.54704161 8 C 6.0000 -4.95342788 4.58525684 1.29685861 9 C 6.0000 -4.51464588 5.14739084 0.09039161 10 C 6.0000 -3.46998388 3.80322884 4.69849961 11 C 6.0000 0.13595812 4.83945284 5.18032661 12 C 6.0000 0.15814412 5.98317584 4.35732861 13 C 6.0000 -0.97051788 6.38091084 3.63593861 14 C 6.0000 -1.11669688 4.19789684 5.42738161 15 C 6.0000 -2.32893188 2.16516684 6.17243761 16 C 6.0000 -1.15162488 2.98514384 6.15763661 17 C 6.0000 -3.50169188 2.57379884 5.44036761 18 C 6.0000 -5.62959088 3.16525884 3.67704661 19 C 6.0000 -4.53747388 1.61160884 5.21215661 20 C 6.0000 -5.63642688 1.98753984 4.39069961 21 C 6.0000 2.55256812 4.49793084 4.66229061 22 C 6.0000 2.46995712 5.53279684 3.65951361 23 C 6.0000 3.28515812 5.51109884 2.50070061 24 C 6.0000 2.82457212 6.10745884 1.24813661 25 C 6.0000 3.48918312 5.86888684 0.04601861 26 C 6.0000 1.27214212 6.33499884 3.63175861 27 C 6.0000 1.39016812 4.14211084 5.41540361 28 C 6.0000 -5.06959288 -0.77350816 4.69712661 29 C 6.0000 -6.01962088 -0.34508716 3.70008661 30 C 6.0000 -6.30488388 -1.15615216 2.54977261 31 C 6.0000 -6.74416888 -0.55176716 1.30950661 32 C 6.0000 -6.74404688 -1.30497116 0.09559461 33 C 6.0000 -6.35870188 1.04462284 3.66999661 34 C 6.0000 -4.32790888 0.21022684 5.43856661 35 C 6.0000 -3.16201588 -0.19124716 6.17861761 36 C 6.0000 0.05894712 1.17766384 7.27012461 37 C 6.0000 -1.06106388 0.40306684 7.27790661 38 C 6.0000 -2.26493588 0.81520684 6.64248461 39 C 6.0000 0.10473812 2.43256184 6.63326861 40 C 6.0000 1.35309012 2.92334584 6.15417361 41 C 6.0000 3.69706812 3.63524484 4.64329361 42 C 6.0000 4.69253712 3.83968184 3.65083161 43 C 6.0000 4.44098112 4.65767484 2.48148961 44 C 6.0000 5.13128912 4.42680984 1.25285161 45 C 6.0000 4.68086412 5.02258884 0.02462661 46 C 6.0000 -1.45509088 -1.93502216 6.65543961 47 C 6.0000 -0.69341788 -0.92119716 7.30801261 48 C 6.0000 -2.77082588 -1.58172016 6.17278861 49 C 6.0000 -3.50192088 -2.54624316 5.44822561 50 C 6.0000 -4.67690788 -2.14052716 4.69245761 51 C 6.0000 -5.22005988 -3.02828416 3.71179061 52 C 6.0000 -5.88915788 -2.52265316 2.54507261 53 C 6.0000 -5.87884288 -3.28186916 1.31013361 54 C 6.0000 -6.28997588 -2.68609016 0.09614461 55 C 6.0000 3.66780312 2.39836684 5.40548561 56 C 6.0000 2.52014412 2.05028384 6.14559761 57 C 6.0000 2.38414212 0.70638084 6.63543561 58 C 6.0000 1.16850512 0.35433084 7.29977261 59 C 6.0000 0.71242012 -0.97074316 7.31663361 60 C 6.0000 5.79284912 2.91731884 3.60018761 61 C 6.0000 5.08345212 -1.00980516 4.64571961 62 C 6.0000 6.04194812 -0.61499916 3.64588761 63 C 6.0000 6.26884712 -1.40767816 2.48863061 64 C 6.0000 6.68651012 -0.79052116 1.23490661 65 C 6.0000 6.64709712 -1.50353416 0.03626861 66 C 6.0000 6.44224712 0.76967484 3.60633661 67 C 6.0000 5.76260612 1.72736184 4.32900861 68 C 6.0000 4.67517312 1.39484284 5.15492061 69 C 6.0000 -2.94427288 -5.73237016 3.65000661 70 C 6.0000 -1.51064888 -5.83426816 3.68321061 71 C 6.0000 -0.83698788 -6.35193816 2.51826361 72 C 6.0000 -1.54452288 -6.56853616 1.29037361 73 C 6.0000 -0.83855988 -6.78830916 0.06712161 74 C 6.0000 -0.81571788 -5.07627316 4.66857761 75 C 6.0000 -1.50800888 -4.06131916 5.43063161 76 C 6.0000 -2.92329188 -3.84125716 5.19602861 77 C 6.0000 -3.61071588 -4.75387016 4.38242961 78 C 6.0000 -4.73559388 -4.38137216 3.66683761 79 C 6.0000 3.42163312 -2.70783416 5.40029761 80 C 6.0000 4.60742412 -2.35639316 4.63984561 81 C 6.0000 4.38754512 -0.00223716 5.40118261 82 C 6.0000 3.22502312 -0.34661216 6.14474361 83 C 6.0000 2.73915312 -1.71386116 6.14269861 84 C 6.0000 1.41961912 -2.00742516 6.63941761 85 C 6.0000 0.61751012 -5.11115416 4.66787561 86 C 6.0000 1.35797312 -4.13189116 5.41316061 87 C 6.0000 0.67915512 -3.13102116 6.15527161 88 C 6.0000 -0.78027088 -3.09734516 6.16319161 89 C 6.0000 2.77725412 -3.97269616 5.16233661 90 C 6.0000 3.42714112 -4.91497216 4.34608261 91 C 6.0000 1.28380012 -5.90754116 3.67474261 92 C 6.0000 0.59968812 -6.37630616 2.51931661 93 C 6.0000 1.31398212 -6.59684116 1.27100961 94 C 6.0000 0.62199612 -6.78560816 0.06931961 95 C 6.0000 2.72546612 -5.86368716 3.63317761 96 C 6.0000 5.10968212 -3.25332016 3.65287661 97 C 6.0000 5.80832112 -2.76830416 2.48396161 98 C 6.0000 5.79278812 -3.50652516 1.25770461 99 C 6.0000 6.21065012 -2.89890416 0.02868461 100 C 6.0000 4.56877312 -4.58335316 3.61611761 101 C 6.0000 -0.55915588 6.98587684 2.43252461 102 C 6.0000 0.84213512 6.94746984 2.41644161 103 C 6.0000 -1.31823488 6.84781484 1.20272661 104 C 6.0000 -0.63853188 6.93723184 -0.04783739 105 C 6.0000 1.53572312 6.75890184 1.19553961 106 C 6.0000 0.81840712 6.88692284 -0.06541639 107 C 6.0000 -6.82163788 1.63159884 2.46839761 108 C 6.0000 -6.35842688 2.95389384 2.46194261 109 C 6.0000 -6.92706088 0.87145084 1.23840161 110 C 6.0000 -6.81164388 1.55516684 -0.01693839 111 C 6.0000 -5.97036488 3.56690084 1.23888961 112 C 6.0000 -6.31760988 2.92215584 -0.02235539 113 C 6.0000 -3.64544488 -5.98012716 2.45298661 114 C 6.0000 -4.76142688 -5.13019716 2.45545761 115 C 6.0000 -2.96040088 -6.30344516 1.21890061 116 C 6.0000 -3.57546788 -5.97565616 -0.02963439 117 C 6.0000 -5.22712488 -4.56431016 1.23455661 118 C 6.0000 -4.72623988 -5.08649616 -0.02400339 119 C 6.0000 4.58566512 -5.32607416 2.41839461 120 C 6.0000 3.42613412 -6.12096616 2.41781461 121 C 6.0000 5.10417412 -4.77387416 1.18145561 122 C 6.0000 4.59948912 -5.25254216 -0.06344739 123 C 6.0000 2.74234212 -6.37981616 1.20086561 124 C 6.0000 3.38824712 -6.06646116 -0.06323439 125 C 6.0000 6.49423412 2.70990584 2.39655961 126 C 6.0000 6.89108512 1.36195984 2.38702261 127 C 6.0000 6.12217912 3.37944584 1.16233661 128 C 6.0000 6.40959412 2.75690284 -0.08427539 129 C 6.0000 6.91508712 0.63664884 1.16987461 130 C 6.0000 6.80526812 1.35124784 -0.09375139 131 C 6.0000 -3.47805588 6.06883884 -2.37365839 132 C 6.0000 -4.59876788 5.24867884 -2.35833939 133 C 6.0000 -5.08431788 4.70082684 -1.17416539 134 C 6.0000 -2.77253488 6.38901384 -1.18005539 135 C 6.0000 -2.84159688 5.92067584 -3.59262239 136 C 6.0000 -4.70496888 4.57422484 -3.58441339 137 C 6.0000 -3.58036588 4.94978984 -4.35899539 138 C 6.0000 -6.89874088 -1.41056216 -2.35324239 139 C 6.0000 -6.47324888 -2.74802516 -2.35312039 140 C 6.0000 -6.05592188 -3.37656516 -1.15025439 141 C 6.0000 -6.95838688 -0.64212916 -1.16124139 142 C 6.0000 -6.54803188 -0.85474516 -3.57560839 143 C 6.0000 -5.84841688 -3.06662916 -3.60342539 144 C 6.0000 -5.85407788 -1.86590116 -4.35563839 145 C 6.0000 -4.49340588 -4.82921716 -2.51750339 146 C 6.0000 -3.34199288 -5.69878516 -2.52224839 147 C 6.0000 -2.87992688 -6.24445516 -1.26278839 148 C 6.0000 -5.15430988 -4.50588416 -1.24514939 149 C 6.0000 -4.74731188 -4.02822316 -3.68872239 150 C 6.0000 -2.46328488 -5.71045816 -3.69011039 151 C 6.0000 -2.54148688 -4.68496116 -4.70692639 152 C 6.0000 -5.99392488 2.75899384 -2.51436039 153 C 6.0000 -6.47242488 1.40196784 -2.51205639 154 C 6.0000 -6.85882388 0.80071084 -1.24789539 155 C 6.0000 -5.89457488 3.49744284 -1.24316539 156 C 6.0000 -5.29433988 3.23824184 -3.67769039 157 C 6.0000 -6.20498488 0.55643284 -3.67677439 158 C 6.0000 -5.24398588 0.94231284 -4.69223139 159 C 6.0000 -0.78103388 -6.94307916 -2.37271239 160 C 6.0000 0.61122312 -6.93934016 -2.37089639 161 C 6.0000 1.33119412 -6.76861016 -1.19482539 162 C 6.0000 -1.52947788 -6.77651416 -1.17888039 163 C 6.0000 -1.21812188 -6.46587516 -3.58999739 164 C 6.0000 1.08790812 -6.47960816 -3.60350139 165 C 6.0000 -0.05010788 -6.12594016 -4.36943239 166 C 6.0000 3.20903212 -5.76062916 -2.55375839 167 C 6.0000 4.39894312 -4.94130916 -2.55827439 168 C 6.0000 5.06411912 -4.67446316 -1.30319339 169 C 6.0000 2.70198312 -6.28096916 -1.27565139 170 C 6.0000 2.35835512 -5.74946016 -3.71173239 171 C 6.0000 4.66974112 -4.10817916 -3.73043939 172 C 6.0000 3.66334712 -3.86614416 -4.74229539 173 C 6.0000 6.36154412 -2.88381316 -2.41218739 174 C 6.0000 6.77401912 -1.55320116 -2.40510739 175 C 6.0000 6.83507012 -0.81968116 -1.23072939 176 C 6.0000 5.98481912 -3.54981416 -1.21473839 177 C 6.0000 5.76854112 -3.15204816 -3.62831239 178 C 6.0000 6.47184912 -0.95673516 -3.63342439 179 C 6.0000 5.79091112 -1.93126816 -4.40144539 180 C 6.0000 6.43808212 1.28043184 -2.57811139 181 C 6.0000 6.03012312 2.66730384 -2.57490739 182 C 6.0000 5.99659912 3.38222384 -1.32211439 183 C 6.0000 6.78708112 0.63611484 -1.30313239 184 C 6.0000 6.16130312 0.47647684 -3.73283539 185 C 6.0000 5.31724712 3.18393584 -3.74260139 186 C 6.0000 4.77202012 2.30068084 -4.75129839 187 C 6.0000 4.70045712 5.18247084 -2.41829039 188 C 6.0000 3.56703412 5.99309384 -2.40106339 189 C 6.0000 2.89383112 6.27219184 -1.21975839 190 C 6.0000 5.22140712 4.61205084 -1.22255139 191 C 6.0000 4.75802812 4.53026384 -3.63627739 192 C 6.0000 2.89627312 5.88722784 -3.62964039 193 C 6.0000 3.60470812 4.93178384 -4.40371839 194 C 6.0000 0.76497112 6.53696284 -2.55500939 195 C 6.0000 -0.67820488 6.56496284 -2.54133739 196 C 6.0000 -1.36662088 6.74422284 -1.28228939 197 C 6.0000 1.49238812 6.66826484 -1.28163339 198 C 6.0000 1.43846312 6.02930284 -3.71826339 199 C 6.0000 -1.39404088 6.04274584 -3.70541539 200 C 6.0000 -0.72732288 5.25552984 -4.72137639 201 C 6.0000 1.46408312 4.21883184 -5.48239339 202 C 6.0000 0.73308012 5.25256984 -4.73631439 203 C 6.0000 2.90394812 3.99416184 -5.25151239 204 C 6.0000 3.55072212 2.69566984 -5.49115139 205 C 6.0000 4.45930712 -0.11692216 -5.49250939 206 C 6.0000 5.21322812 0.90469884 -4.75479339 207 C 6.0000 4.68957712 -1.55895416 -5.25183239 208 C 6.0000 3.66049412 -2.58074316 -5.48689339 209 C 6.0000 1.26968612 -4.31174616 -5.47549539 210 C 6.0000 2.47441312 -4.71819516 -4.73942739 211 C 6.0000 -0.03191888 -4.96682116 -5.22490039 212 C 6.0000 -1.31936388 -4.29665516 -5.45472839 213 C 6.0000 -3.70487788 -2.55603916 -5.44862539 214 C 6.0000 -3.72140288 -3.82245816 -4.70724639 215 C 6.0000 -4.73492188 -1.52544516 -5.20378239 216 C 6.0000 -4.49361988 -0.09859616 -5.43756239 217 C 6.0000 -3.57392688 2.69908784 -5.44674839 218 C 6.0000 -4.78266688 2.32581184 -4.69796939 219 C 6.0000 -2.91283988 3.99637484 -5.21234239 220 C 6.0000 -1.48212988 4.21321684 -5.45950439 221 C 6.0000 1.43612912 1.99461984 -6.61140639 222 C 6.0000 0.72326812 3.19682884 -6.18121439 223 C 6.0000 2.80531512 1.68576684 -6.19088939 224 C 6.0000 0.66612412 0.93112784 -7.14077939 225 C 6.0000 2.34314212 -0.78316616 -6.61522039 226 C 6.0000 3.26350612 0.27126184 -6.19362039 227 C 6.0000 2.47242912 -2.18280916 -6.18768439 228 C 6.0000 1.09472912 -0.37961716 -7.14358639 229 C 6.0000 -0.01640088 -2.50086416 -6.59831339 230 C 6.0000 1.27047912 -3.05452916 -6.18181039 231 C 6.0000 -1.30619588 -3.04804416 -6.16095139 232 C 6.0000 -0.01859888 -1.19135416 -7.13467539 233 C 6.0000 -2.37811088 -0.78490616 -6.58146839 234 C 6.0000 -2.50681888 -2.17460116 -6.15536639 235 C 6.0000 -3.29957388 0.27094084 -6.14816439 236 C 6.0000 -1.13453488 -0.38309616 -7.12559639 237 C 6.0000 -1.47863588 1.98695984 -6.58938739 238 C 6.0000 -2.83978088 1.67999884 -6.15348939 239 C 6.0000 -0.75996188 3.19420484 -6.16830639 240 C 6.0000 -0.71114888 0.92748084 -7.12880139 Atomic Mass ----------- C 12.000000 Effective nuclear repulsion energy (a.u.) 71731.3147537545 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 XYZ format geometry ------------------- 240 geometry C -2.30427388 4.60936584 4.67669561 C -2.18655188 5.62970584 3.68896361 C -3.05833188 5.65221284 2.52668661 C -2.62115288 6.24188884 1.29530161 C -3.33739988 6.00476684 0.07081461 C -4.49979988 4.05023784 3.70376461 C -4.22813188 4.83167084 2.54704161 C -4.95342788 4.58525684 1.29685861 C -4.51464588 5.14739084 0.09039161 C -3.46998388 3.80322884 4.69849961 C 0.13595812 4.83945284 5.18032661 C 0.15814412 5.98317584 4.35732861 C -0.97051788 6.38091084 3.63593861 C -1.11669688 4.19789684 5.42738161 C -2.32893188 2.16516684 6.17243761 C -1.15162488 2.98514384 6.15763661 C -3.50169188 2.57379884 5.44036761 C -5.62959088 3.16525884 3.67704661 C -4.53747388 1.61160884 5.21215661 C -5.63642688 1.98753984 4.39069961 C 2.55256812 4.49793084 4.66229061 C 2.46995712 5.53279684 3.65951361 C 3.28515812 5.51109884 2.50070061 C 2.82457212 6.10745884 1.24813661 C 3.48918312 5.86888684 0.04601861 C 1.27214212 6.33499884 3.63175861 C 1.39016812 4.14211084 5.41540361 C -5.06959288 -0.77350816 4.69712661 C -6.01962088 -0.34508716 3.70008661 C -6.30488388 -1.15615216 2.54977261 C -6.74416888 -0.55176716 1.30950661 C -6.74404688 -1.30497116 0.09559461 C -6.35870188 1.04462284 3.66999661 C -4.32790888 0.21022684 5.43856661 C -3.16201588 -0.19124716 6.17861761 C 0.05894712 1.17766384 7.27012461 C -1.06106388 0.40306684 7.27790661 C -2.26493588 0.81520684 6.64248461 C 0.10473812 2.43256184 6.63326861 C 1.35309012 2.92334584 6.15417361 C 3.69706812 3.63524484 4.64329361 C 4.69253712 3.83968184 3.65083161 C 4.44098112 4.65767484 2.48148961 C 5.13128912 4.42680984 1.25285161 C 4.68086412 5.02258884 0.02462661 C -1.45509088 -1.93502216 6.65543961 C -0.69341788 -0.92119716 7.30801261 C -2.77082588 -1.58172016 6.17278861 C -3.50192088 -2.54624316 5.44822561 C -4.67690788 -2.14052716 4.69245761 C -5.22005988 -3.02828416 3.71179061 C -5.88915788 -2.52265316 2.54507261 C -5.87884288 -3.28186916 1.31013361 C -6.28997588 -2.68609016 0.09614461 C 3.66780312 2.39836684 5.40548561 C 2.52014412 2.05028384 6.14559761 C 2.38414212 0.70638084 6.63543561 C 1.16850512 0.35433084 7.29977261 C 0.71242012 -0.97074316 7.31663361 C 5.79284912 2.91731884 3.60018761 C 5.08345212 -1.00980516 4.64571961 C 6.04194812 -0.61499916 3.64588761 C 6.26884712 -1.40767816 2.48863061 C 6.68651012 -0.79052116 1.23490661 C 6.64709712 -1.50353416 0.03626861 C 6.44224712 0.76967484 3.60633661 C 5.76260612 1.72736184 4.32900861 C 4.67517312 1.39484284 5.15492061 C -2.94427288 -5.73237016 3.65000661 C -1.51064888 -5.83426816 3.68321061 C -0.83698788 -6.35193816 2.51826361 C -1.54452288 -6.56853616 1.29037361 C -0.83855988 -6.78830916 0.06712161 C -0.81571788 -5.07627316 4.66857761 C -1.50800888 -4.06131916 5.43063161 C -2.92329188 -3.84125716 5.19602861 C -3.61071588 -4.75387016 4.38242961 C -4.73559388 -4.38137216 3.66683761 C 3.42163312 -2.70783416 5.40029761 C 4.60742412 -2.35639316 4.63984561 C 4.38754512 -0.00223716 5.40118261 C 3.22502312 -0.34661216 6.14474361 C 2.73915312 -1.71386116 6.14269861 C 1.41961912 -2.00742516 6.63941761 C 0.61751012 -5.11115416 4.66787561 C 1.35797312 -4.13189116 5.41316061 C 0.67915512 -3.13102116 6.15527161 C -0.78027088 -3.09734516 6.16319161 C 2.77725412 -3.97269616 5.16233661 C 3.42714112 -4.91497216 4.34608261 C 1.28380012 -5.90754116 3.67474261 C 0.59968812 -6.37630616 2.51931661 C 1.31398212 -6.59684116 1.27100961 C 0.62199612 -6.78560816 0.06931961 C 2.72546612 -5.86368716 3.63317761 C 5.10968212 -3.25332016 3.65287661 C 5.80832112 -2.76830416 2.48396161 C 5.79278812 -3.50652516 1.25770461 C 6.21065012 -2.89890416 0.02868461 C 4.56877312 -4.58335316 3.61611761 C -0.55915588 6.98587684 2.43252461 C 0.84213512 6.94746984 2.41644161 C -1.31823488 6.84781484 1.20272661 C -0.63853188 6.93723184 -0.04783739 C 1.53572312 6.75890184 1.19553961 C 0.81840712 6.88692284 -0.06541639 C -6.82163788 1.63159884 2.46839761 C -6.35842688 2.95389384 2.46194261 C -6.92706088 0.87145084 1.23840161 C -6.81164388 1.55516684 -0.01693839 C -5.97036488 3.56690084 1.23888961 C -6.31760988 2.92215584 -0.02235539 C -3.64544488 -5.98012716 2.45298661 C -4.76142688 -5.13019716 2.45545761 C -2.96040088 -6.30344516 1.21890061 C -3.57546788 -5.97565616 -0.02963439 C -5.22712488 -4.56431016 1.23455661 C -4.72623988 -5.08649616 -0.02400339 C 4.58566512 -5.32607416 2.41839461 C 3.42613412 -6.12096616 2.41781461 C 5.10417412 -4.77387416 1.18145561 C 4.59948912 -5.25254216 -0.06344739 C 2.74234212 -6.37981616 1.20086561 C 3.38824712 -6.06646116 -0.06323439 C 6.49423412 2.70990584 2.39655961 C 6.89108512 1.36195984 2.38702261 C 6.12217912 3.37944584 1.16233661 C 6.40959412 2.75690284 -0.08427539 C 6.91508712 0.63664884 1.16987461 C 6.80526812 1.35124784 -0.09375139 C -3.47805588 6.06883884 -2.37365839 C -4.59876788 5.24867884 -2.35833939 C -5.08431788 4.70082684 -1.17416539 C -2.77253488 6.38901384 -1.18005539 C -2.84159688 5.92067584 -3.59262239 C -4.70496888 4.57422484 -3.58441339 C -3.58036588 4.94978984 -4.35899539 C -6.89874088 -1.41056216 -2.35324239 C -6.47324888 -2.74802516 -2.35312039 C -6.05592188 -3.37656516 -1.15025439 C -6.95838688 -0.64212916 -1.16124139 C -6.54803188 -0.85474516 -3.57560839 C -5.84841688 -3.06662916 -3.60342539 C -5.85407788 -1.86590116 -4.35563839 C -4.49340588 -4.82921716 -2.51750339 C -3.34199288 -5.69878516 -2.52224839 C -2.87992688 -6.24445516 -1.26278839 C -5.15430988 -4.50588416 -1.24514939 C -4.74731188 -4.02822316 -3.68872239 C -2.46328488 -5.71045816 -3.69011039 C -2.54148688 -4.68496116 -4.70692639 C -5.99392488 2.75899384 -2.51436039 C -6.47242488 1.40196784 -2.51205639 C -6.85882388 0.80071084 -1.24789539 C -5.89457488 3.49744284 -1.24316539 C -5.29433988 3.23824184 -3.67769039 C -6.20498488 0.55643284 -3.67677439 C -5.24398588 0.94231284 -4.69223139 C -0.78103388 -6.94307916 -2.37271239 C 0.61122312 -6.93934016 -2.37089639 C 1.33119412 -6.76861016 -1.19482539 C -1.52947788 -6.77651416 -1.17888039 C -1.21812188 -6.46587516 -3.58999739 C 1.08790812 -6.47960816 -3.60350139 C -0.05010788 -6.12594016 -4.36943239 C 3.20903212 -5.76062916 -2.55375839 C 4.39894312 -4.94130916 -2.55827439 C 5.06411912 -4.67446316 -1.30319339 C 2.70198312 -6.28096916 -1.27565139 C 2.35835512 -5.74946016 -3.71173239 C 4.66974112 -4.10817916 -3.73043939 C 3.66334712 -3.86614416 -4.74229539 C 6.36154412 -2.88381316 -2.41218739 C 6.77401912 -1.55320116 -2.40510739 C 6.83507012 -0.81968116 -1.23072939 C 5.98481912 -3.54981416 -1.21473839 C 5.76854112 -3.15204816 -3.62831239 C 6.47184912 -0.95673516 -3.63342439 C 5.79091112 -1.93126816 -4.40144539 C 6.43808212 1.28043184 -2.57811139 C 6.03012312 2.66730384 -2.57490739 C 5.99659912 3.38222384 -1.32211439 C 6.78708112 0.63611484 -1.30313239 C 6.16130312 0.47647684 -3.73283539 C 5.31724712 3.18393584 -3.74260139 C 4.77202012 2.30068084 -4.75129839 C 4.70045712 5.18247084 -2.41829039 C 3.56703412 5.99309384 -2.40106339 C 2.89383112 6.27219184 -1.21975839 C 5.22140712 4.61205084 -1.22255139 C 4.75802812 4.53026384 -3.63627739 C 2.89627312 5.88722784 -3.62964039 C 3.60470812 4.93178384 -4.40371839 C 0.76497112 6.53696284 -2.55500939 C -0.67820488 6.56496284 -2.54133739 C -1.36662088 6.74422284 -1.28228939 C 1.49238812 6.66826484 -1.28163339 C 1.43846312 6.02930284 -3.71826339 C -1.39404088 6.04274584 -3.70541539 C -0.72732288 5.25552984 -4.72137639 C 1.46408312 4.21883184 -5.48239339 C 0.73308012 5.25256984 -4.73631439 C 2.90394812 3.99416184 -5.25151239 C 3.55072212 2.69566984 -5.49115139 C 4.45930712 -0.11692216 -5.49250939 C 5.21322812 0.90469884 -4.75479339 C 4.68957712 -1.55895416 -5.25183239 C 3.66049412 -2.58074316 -5.48689339 C 1.26968612 -4.31174616 -5.47549539 C 2.47441312 -4.71819516 -4.73942739 C -0.03191888 -4.96682116 -5.22490039 C -1.31936388 -4.29665516 -5.45472839 C -3.70487788 -2.55603916 -5.44862539 C -3.72140288 -3.82245816 -4.70724639 C -4.73492188 -1.52544516 -5.20378239 C -4.49361988 -0.09859616 -5.43756239 C -3.57392688 2.69908784 -5.44674839 C -4.78266688 2.32581184 -4.69796939 C -2.91283988 3.99637484 -5.21234239 C -1.48212988 4.21321684 -5.45950439 C 1.43612912 1.99461984 -6.61140639 C 0.72326812 3.19682884 -6.18121439 C 2.80531512 1.68576684 -6.19088939 C 0.66612412 0.93112784 -7.14077939 C 2.34314212 -0.78316616 -6.61522039 C 3.26350612 0.27126184 -6.19362039 C 2.47242912 -2.18280916 -6.18768439 C 1.09472912 -0.37961716 -7.14358639 C -0.01640088 -2.50086416 -6.59831339 C 1.27047912 -3.05452916 -6.18181039 C -1.30619588 -3.04804416 -6.16095139 C -0.01859888 -1.19135416 -7.13467539 C -2.37811088 -0.78490616 -6.58146839 C -2.50681888 -2.17460116 -6.15536639 C -3.29957388 0.27094084 -6.14816439 C -1.13453488 -0.38309616 -7.12559639 C -1.47863588 1.98695984 -6.58938739 C -2.83978088 1.67999884 -6.15348939 C -0.75996188 3.19420484 -6.16830639 C -0.71114888 0.92748084 -7.12880139 ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 C | 1 C | 2.69282 | 1.42498 3 C | 2 C | 2.74589 | 1.45306 4 C | 3 C | 2.70907 | 1.43358 5 C | 4 C | 2.71793 | 1.43826 7 C | 3 C | 2.70048 | 1.42903 7 C | 6 C | 2.68743 | 1.42213 8 C | 7 C | 2.77071 | 1.46620 9 C | 5 C | 2.75238 | 1.45650 9 C | 8 C | 2.64837 | 1.40146 10 C | 1 C | 2.67862 | 1.41747 10 C | 6 C | 2.74566 | 1.45294 12 C | 11 C | 2.66305 | 1.40923 13 C | 2 C | 2.70294 | 1.43034 13 C | 12 C | 2.64053 | 1.39731 14 C | 1 C | 2.76648 | 1.46396 14 C | 11 C | 2.70024 | 1.42891 16 C | 14 C | 2.67599 | 1.41607 16 C | 15 C | 2.71137 | 1.43479 17 C | 10 C | 2.71416 | 1.43627 17 C | 15 C | 2.72427 | 1.44162 18 C | 6 C | 2.71248 | 1.43538 19 C | 17 C | 2.70616 | 1.43204 20 C | 18 C | 2.60232 | 1.37709 20 C | 19 C | 2.68834 | 1.42261 22 C | 21 C | 2.72758 | 1.44338 23 C | 22 C | 2.67773 | 1.41699 24 C | 23 C | 2.76230 | 1.46175 25 C | 24 C | 2.63460 | 1.39417 26 C | 12 C | 2.59878 | 1.37522 26 C | 22 C | 2.72479 | 1.44189 27 C | 11 C | 2.74797 | 1.45416 27 C | 21 C | 2.70235 | 1.43002 29 C | 28 C | 2.72552 | 1.44229 30 C | 29 C | 2.71386 | 1.43611 31 C | 30 C | 2.73620 | 1.44793 32 C | 31 C | 2.69966 | 1.42860 33 C | 20 C | 2.62542 | 1.38931 33 C | 29 C | 2.70381 | 1.43080 34 C | 19 C | 2.71164 | 1.43494 34 C | 28 C | 2.71724 | 1.43790 35 C | 34 C | 2.71764 | 1.43811 37 C | 36 C | 2.57342 | 1.36180 38 C | 15 C | 2.70398 | 1.43088 38 C | 35 C | 2.69435 | 1.42579 38 C | 37 C | 2.68775 | 1.42230 39 C | 16 C | 2.74500 | 1.45259 39 C | 36 C | 2.66073 | 1.40800 40 C | 27 C | 2.69413 | 1.42567 40 C | 39 C | 2.69164 | 1.42435 41 C | 21 C | 2.70862 | 1.43334 42 C | 41 C | 2.68430 | 1.42047 43 C | 23 C | 2.71531 | 1.43688 43 C | 42 C | 2.73831 | 1.44905 44 C | 43 C | 2.69866 | 1.42807 45 C | 25 C | 2.76235 | 1.46177 45 C | 44 C | 2.71646 | 1.43749 47 C | 37 C | 2.59777 | 1.37468 47 C | 46 C | 2.69499 | 1.42613 48 C | 35 C | 2.72964 | 1.44446 48 C | 46 C | 2.73125 | 1.44531 49 C | 48 C | 2.66565 | 1.41060 50 C | 28 C | 2.68778 | 1.42231 50 C | 49 C | 2.74914 | 1.45478 51 C | 50 C | 2.70226 | 1.42998 52 C | 30 C | 2.69918 | 1.42835 52 C | 51 C | 2.71528 | 1.43687 53 C | 52 C | 2.73951 | 1.44969 54 C | 32 C | 2.74737 | 1.45385 54 C | 53 C | 2.67097 | 1.41342 55 C | 41 C | 2.74607 | 1.45316 56 C | 40 C | 2.75429 | 1.45751 56 C | 55 C | 2.66314 | 1.40927 57 C | 56 C | 2.71524 | 1.43684 58 C | 36 C | 2.61157 | 1.38198 58 C | 57 C | 2.70109 | 1.42936 59 C | 47 C | 2.65835 | 1.40674 59 C | 58 C | 2.64839 | 1.40147 60 C | 42 C | 2.71490 | 1.43666 62 C | 61 C | 2.72163 | 1.44023 63 C | 62 C | 2.68518 | 1.42094 64 C | 63 C | 2.75612 | 1.45847 65 C | 64 C | 2.63661 | 1.39523 66 C | 62 C | 2.72483 | 1.44192 67 C | 60 C | 2.63757 | 1.39574 67 C | 66 C | 2.60572 | 1.37889 68 C | 55 C | 2.72844 | 1.44383 68 C | 67 C | 2.65586 | 1.40542 70 C | 69 C | 2.71672 | 1.43762 71 C | 70 C | 2.72468 | 1.44184 72 C | 71 C | 2.70913 | 1.43361 73 C | 72 C | 2.70107 | 1.42935 74 C | 70 C | 2.69141 | 1.42423 75 C | 74 C | 2.73203 | 1.44573 76 C | 49 C | 2.72244 | 1.44065 76 C | 75 C | 2.74270 | 1.45138 77 C | 69 C | 2.63076 | 1.39214 77 C | 76 C | 2.65058 | 1.40263 78 C | 51 C | 2.71725 | 1.43791 78 C | 77 C | 2.61587 | 1.38426 80 C | 61 C | 2.69903 | 1.42826 80 C | 79 C | 2.74362 | 1.45186 81 C | 61 C | 2.71898 | 1.43882 81 C | 68 C | 2.73535 | 1.44748 82 C | 57 C | 2.71006 | 1.43410 82 C | 81 C | 2.68776 | 1.42230 83 C | 79 C | 2.67576 | 1.41595 83 C | 82 C | 2.74202 | 1.45101 84 C | 59 C | 2.69474 | 1.42599 84 C | 83 C | 2.72152 | 1.44017 85 C | 74 C | 2.70921 | 1.43365 86 C | 85 C | 2.71404 | 1.43621 87 C | 84 C | 2.70247 | 1.43009 87 C | 86 C | 2.68132 | 1.41890 88 C | 46 C | 2.70481 | 1.43132 88 C | 75 C | 2.66946 | 1.41262 88 C | 87 C | 2.75869 | 1.45984 89 C | 79 C | 2.71998 | 1.43935 89 C | 86 C | 2.74018 | 1.45004 90 C | 89 C | 2.65673 | 1.40588 91 C | 85 C | 2.71522 | 1.43683 92 C | 71 C | 2.71532 | 1.43688 92 C | 91 C | 2.68764 | 1.42224 93 C | 92 C | 2.74961 | 1.45503 94 C | 73 C | 2.76006 | 1.46056 94 C | 93 C | 2.64463 | 1.39948 95 C | 90 C | 2.60525 | 1.37864 95 C | 91 C | 2.72675 | 1.44293 96 C | 80 C | 2.69301 | 1.42508 97 C | 63 C | 2.71451 | 1.43646 97 C | 96 C | 2.73175 | 1.44558 98 C | 97 C | 2.70496 | 1.43140 99 C | 65 C | 2.76288 | 1.46205 99 C | 98 C | 2.70851 | 1.43328 100 C | 90 C | 2.63625 | 1.39504 100 C | 96 C | 2.71419 | 1.43629 101 C | 13 C | 2.66137 | 1.40834 102 C | 26 C | 2.69710 | 1.42724 102 C | 101 C | 2.64922 | 1.40191 103 C | 4 C | 2.72102 | 1.43990 103 C | 101 C | 2.74347 | 1.45178 104 C | 103 C | 2.69503 | 1.42615 105 C | 24 C | 2.73082 | 1.44509 105 C | 102 C | 2.67730 | 1.41677 106 C | 104 C | 2.75506 | 1.45791 106 C | 105 C | 2.75209 | 1.45635 107 C | 33 C | 2.67427 | 1.41516 108 C | 18 C | 2.70723 | 1.43260 108 C | 107 C | 2.64769 | 1.40110 109 C | 31 C | 2.71494 | 1.43668 109 C | 107 C | 2.73967 | 1.44977 110 C | 109 C | 2.71007 | 1.43411 111 C | 8 C | 2.72184 | 1.44034 111 C | 108 C | 2.68729 | 1.42205 112 C | 110 C | 2.74678 | 1.45353 112 C | 111 C | 2.75603 | 1.45843 113 C | 69 C | 2.66303 | 1.40921 114 C | 78 C | 2.69168 | 1.42438 114 C | 113 C | 2.65088 | 1.40278 115 C | 72 C | 2.72546 | 1.44225 115 C | 113 C | 2.73638 | 1.44803 116 C | 115 C | 2.70211 | 1.42989 117 C | 53 C | 2.72219 | 1.44052 117 C | 114 C | 2.69092 | 1.42397 118 C | 116 C | 2.74818 | 1.45427 118 C | 117 C | 2.74338 | 1.45174 119 C | 100 C | 2.66341 | 1.40942 120 C | 95 C | 2.69525 | 1.42627 120 C | 119 C | 2.65664 | 1.40583 121 C | 98 C | 2.72945 | 1.44436 121 C | 119 C | 2.74095 | 1.45045 122 C | 121 C | 2.69484 | 1.42605 123 C | 93 C | 2.73340 | 1.44646 123 C | 120 C | 2.68284 | 1.41970 124 C | 122 C | 2.75769 | 1.45931 124 C | 123 C | 2.74715 | 1.45373 125 C | 60 C | 2.66155 | 1.40843 126 C | 66 C | 2.69840 | 1.42793 126 C | 125 C | 2.65541 | 1.40518 127 C | 44 C | 2.73000 | 1.44465 127 C | 125 C | 2.74500 | 1.45259 128 C | 127 C | 2.68860 | 1.42275 129 C | 64 C | 2.73410 | 1.44682 129 C | 126 C | 2.67788 | 1.41707 130 C | 128 C | 2.75959 | 1.46031 130 C | 129 C | 2.75113 | 1.45584 132 C | 131 C | 2.62454 | 1.38885 133 C | 9 C | 2.75346 | 1.45707 133 C | 132 C | 2.63084 | 1.39218 134 C | 5 C | 2.69337 | 1.42527 134 C | 131 C | 2.68910 | 1.42301 135 C | 131 C | 2.61364 | 1.38308 136 C | 132 C | 2.65197 | 1.40336 137 C | 135 C | 2.72260 | 1.44074 137 C | 136 C | 2.67632 | 1.41625 139 C | 138 C | 2.65226 | 1.40351 140 C | 54 C | 2.72871 | 1.44397 140 C | 139 C | 2.68322 | 1.41990 141 C | 32 C | 2.71552 | 1.43699 141 C | 138 C | 2.68242 | 1.41948 142 C | 138 C | 2.62264 | 1.38784 143 C | 139 C | 2.70910 | 1.43359 144 C | 142 C | 2.74658 | 1.45343 144 C | 143 C | 2.67755 | 1.41690 146 C | 145 C | 2.72666 | 1.44289 147 C | 116 C | 2.72324 | 1.44108 147 C | 146 C | 2.73684 | 1.44827 148 C | 118 C | 2.68018 | 1.41829 148 C | 140 C | 2.73669 | 1.44820 148 C | 145 C | 2.77746 | 1.46977 149 C | 143 C | 2.76725 | 1.46437 149 C | 145 C | 2.72397 | 1.44146 150 C | 146 C | 2.76195 | 1.46156 151 C | 150 C | 2.73304 | 1.44626 153 C | 152 C | 2.71916 | 1.43892 154 C | 110 C | 2.72978 | 1.44454 154 C | 141 C | 2.73796 | 1.44886 154 C | 153 C | 2.74428 | 1.45221 155 C | 112 C | 2.67267 | 1.41432 155 C | 133 C | 2.74460 | 1.45238 155 C | 152 C | 2.78445 | 1.47347 156 C | 136 C | 2.76502 | 1.46318 156 C | 152 C | 2.72044 | 1.43960 157 C | 142 C | 2.75105 | 1.45580 157 C | 153 C | 2.76638 | 1.46391 158 C | 157 C | 2.74080 | 1.45037 160 C | 159 C | 2.63100 | 1.39226 161 C | 94 C | 2.73933 | 1.44959 161 C | 160 C | 2.62573 | 1.38948 162 C | 73 C | 2.69246 | 1.42479 162 C | 147 C | 2.74748 | 1.45391 162 C | 159 C | 2.68125 | 1.41885 163 C | 150 C | 2.75868 | 1.45983 163 C | 159 C | 2.60519 | 1.37861 164 C | 160 C | 2.64420 | 1.39925 165 C | 163 C | 2.73020 | 1.44476 165 C | 164 C | 2.67702 | 1.41662 167 C | 166 C | 2.73011 | 1.44471 168 C | 122 C | 2.73000 | 1.44465 168 C | 167 C | 2.73122 | 1.44530 169 C | 124 C | 2.66373 | 1.40958 169 C | 161 C | 2.75368 | 1.45719 169 C | 166 C | 2.77822 | 1.47017 170 C | 164 C | 2.77659 | 1.46931 170 C | 166 C | 2.71535 | 1.43690 171 C | 167 C | 2.76534 | 1.46336 172 C | 171 C | 2.73538 | 1.44750 174 C | 173 C | 2.63257 | 1.39310 175 C | 65 C | 2.74386 | 1.45199 175 C | 174 C | 2.61912 | 1.38598 176 C | 99 C | 2.68633 | 1.42154 176 C | 168 C | 2.75171 | 1.45614 176 C | 173 C | 2.68538 | 1.42104 177 C | 171 C | 2.75924 | 1.46013 177 C | 173 C | 2.60656 | 1.37933 178 C | 174 C | 2.64281 | 1.39851 179 C | 177 C | 2.73099 | 1.44518 179 C | 178 C | 2.67464 | 1.41536 181 C | 180 C | 2.73185 | 1.44563 182 C | 128 C | 2.73445 | 1.44701 182 C | 181 C | 2.72653 | 1.44282 183 C | 130 C | 2.65528 | 1.40512 183 C | 175 C | 2.75595 | 1.45839 183 C | 180 C | 2.77894 | 1.47055 184 C | 178 C | 2.77759 | 1.46984 184 C | 180 C | 2.70986 | 1.43399 185 C | 181 C | 2.76353 | 1.46240 186 C | 185 C | 2.73513 | 1.44737 188 C | 187 C | 2.63348 | 1.39358 189 C | 25 C | 2.75102 | 1.45578 189 C | 188 C | 2.62296 | 1.38801 190 C | 45 C | 2.68327 | 1.41992 190 C | 182 C | 2.75363 | 1.45716 190 C | 187 C | 2.69016 | 1.42357 191 C | 185 C | 2.76225 | 1.46172 191 C | 187 C | 2.61314 | 1.38282 192 C | 188 C | 2.65271 | 1.40376 193 C | 191 C | 2.72562 | 1.44234 193 C | 192 C | 2.68178 | 1.41914 195 C | 194 C | 2.72784 | 1.44351 196 C | 104 C | 2.73275 | 1.44611 196 C | 134 C | 2.74708 | 1.45369 196 C | 195 C | 2.73276 | 1.44612 197 C | 106 C | 2.65992 | 1.40757 197 C | 189 C | 2.75456 | 1.45765 197 C | 194 C | 2.78237 | 1.47237 198 C | 192 C | 2.77298 | 1.46740 198 C | 194 C | 2.71521 | 1.43683 199 C | 135 C | 2.75346 | 1.45707 199 C | 195 C | 2.76457 | 1.46295 200 C | 199 C | 2.73612 | 1.44789 202 C | 198 C | 2.76269 | 1.46195 202 C | 200 C | 2.75991 | 1.46048 202 C | 201 C | 2.77707 | 1.46956 203 C | 193 C | 2.73126 | 1.44532 203 C | 201 C | 2.78822 | 1.47546 204 C | 186 C | 2.79971 | 1.48154 204 C | 203 C | 2.77849 | 1.47031 206 C | 184 C | 2.75577 | 1.45829 206 C | 186 C | 2.76665 | 1.46405 206 C | 205 C | 2.77496 | 1.46845 207 C | 179 C | 2.72194 | 1.44039 207 C | 205 C | 2.79680 | 1.48000 208 C | 172 C | 2.80718 | 1.48549 208 C | 207 C | 2.77624 | 1.46912 210 C | 170 C | 2.75999 | 1.46053 210 C | 172 C | 2.76415 | 1.46272 210 C | 209 C | 2.77627 | 1.46914 211 C | 165 C | 2.72259 | 1.44073 211 C | 209 C | 2.79405 | 1.47855 212 C | 151 C | 2.80519 | 1.48444 212 C | 211 C | 2.77697 | 1.46951 214 C | 149 C | 2.75940 | 1.46021 214 C | 151 C | 2.76192 | 1.46154 214 C | 213 C | 2.77329 | 1.46756 215 C | 144 C | 2.73049 | 1.44491 215 C | 213 C | 2.79211 | 1.47752 216 C | 158 C | 2.80423 | 1.48393 216 C | 215 C | 2.77009 | 1.46587 218 C | 156 C | 2.76140 | 1.46127 218 C | 158 C | 2.75597 | 1.45840 218 C | 217 C | 2.77800 | 1.47005 219 C | 137 C | 2.72723 | 1.44319 219 C | 217 C | 2.78690 | 1.47477 220 C | 200 C | 2.80354 | 1.48357 220 C | 219 C | 2.77413 | 1.46801 222 C | 201 C | 2.72648 | 1.44279 222 C | 221 C | 2.76349 | 1.46238 223 C | 204 C | 2.71567 | 1.43707 223 C | 221 C | 2.76888 | 1.46523 224 C | 221 C | 2.67525 | 1.41568 226 C | 205 C | 2.72028 | 1.43951 226 C | 223 C | 2.80977 | 1.48687 226 C | 225 C | 2.76226 | 1.46172 227 C | 208 C | 2.71290 | 1.43560 227 C | 225 C | 2.77636 | 1.46918 228 C | 224 C | 2.60602 | 1.37904 228 C | 225 C | 2.67285 | 1.41441 230 C | 209 C | 2.72506 | 1.44204 230 C | 227 C | 2.80585 | 1.48479 230 C | 229 C | 2.76190 | 1.46153 231 C | 212 C | 2.71092 | 1.43456 231 C | 229 C | 2.77363 | 1.46774 232 C | 228 C | 2.60378 | 1.37786 232 C | 229 C | 2.67415 | 1.41510 234 C | 213 C | 2.72561 | 1.44233 234 C | 231 C | 2.80574 | 1.48473 234 C | 233 C | 2.75756 | 1.45924 235 C | 216 C | 2.71704 | 1.43780 235 C | 233 C | 2.77195 | 1.46685 236 C | 232 C | 2.60390 | 1.37792 236 C | 233 C | 2.67515 | 1.41563 238 C | 217 C | 2.72343 | 1.44118 238 C | 235 C | 2.80093 | 1.48219 238 C | 237 C | 2.76246 | 1.46183 239 C | 220 C | 2.71379 | 1.43608 239 C | 222 C | 2.80301 | 1.48329 239 C | 237 C | 2.77168 | 1.46671 240 C | 224 C | 2.60278 | 1.37733 240 C | 236 C | 2.60267 | 1.37727 240 C | 237 C | 2.67415 | 1.41510 ------------------------------------------------------------------------------ number of included internuclear distances: 360 ============================================================================== ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 C | 1 C | 10 C | 119.07 2 C | 1 C | 14 C | 119.32 10 C | 1 C | 14 C | 119.96 1 C | 2 C | 3 C | 121.06 1 C | 2 C | 13 C | 118.16 3 C | 2 C | 13 C | 118.18 2 C | 3 C | 4 C | 120.70 2 C | 3 C | 7 C | 118.09 4 C | 3 C | 7 C | 119.87 3 C | 4 C | 5 C | 120.77 3 C | 4 C | 103 C | 120.28 5 C | 4 C | 103 C | 117.73 4 C | 5 C | 9 C | 119.22 4 C | 5 C | 134 C | 120.36 9 C | 5 C | 134 C | 119.40 7 C | 6 C | 10 C | 120.99 7 C | 6 C | 18 C | 118.29 10 C | 6 C | 18 C | 117.76 3 C | 7 C | 6 C | 118.91 3 C | 7 C | 8 C | 119.29 6 C | 7 C | 8 C | 120.44 7 C | 8 C | 9 C | 120.78 7 C | 8 C | 111 C | 120.16 9 C | 8 C | 111 C | 118.03 5 C | 9 C | 8 C | 120.05 5 C | 9 C | 133 C | 119.00 8 C | 9 C | 133 C | 120.12 1 C | 10 C | 6 C | 118.40 1 C | 10 C | 17 C | 120.86 6 C | 10 C | 17 C | 118.91 12 C | 11 C | 14 C | 118.63 12 C | 11 C | 27 C | 118.04 14 C | 11 C | 27 C | 120.85 11 C | 12 C | 13 C | 121.32 11 C | 12 C | 26 C | 121.90 13 C | 12 C | 26 C | 108.01 2 C | 13 C | 12 C | 121.20 2 C | 13 C | 101 C | 120.37 12 C | 13 C | 101 C | 109.12 1 C | 14 C | 11 C | 119.76 1 C | 14 C | 16 C | 119.02 11 C | 14 C | 16 C | 119.69 16 C | 15 C | 17 C | 120.02 16 C | 15 C | 38 C | 120.39 17 C | 15 C | 38 C | 118.07 14 C | 16 C | 15 C | 121.00 14 C | 16 C | 39 C | 118.25 15 C | 16 C | 39 C | 119.27 10 C | 17 C | 15 C | 119.14 10 C | 17 C | 19 C | 120.58 15 C | 17 C | 19 C | 118.61 6 C | 18 C | 20 C | 121.44 6 C | 18 C | 108 C | 120.48 20 C | 18 C | 108 C | 108.11 17 C | 19 C | 20 C | 118.24 17 C | 19 C | 34 C | 121.70 20 C | 19 C | 34 C | 117.52 18 C | 20 C | 19 C | 121.43 18 C | 20 C | 33 C | 108.31 19 C | 20 C | 33 C | 121.45 22 C | 21 C | 27 C | 119.85 22 C | 21 C | 41 C | 117.91 27 C | 21 C | 41 C | 120.42 21 C | 22 C | 23 C | 121.62 21 C | 22 C | 26 C | 117.37 23 C | 22 C | 26 C | 118.08 22 C | 23 C | 24 C | 120.88 22 C | 23 C | 43 C | 118.87 24 C | 23 C | 43 C | 118.97 23 C | 24 C | 25 C | 121.25 23 C | 24 C | 105 C | 119.74 25 C | 24 C | 105 C | 118.09 24 C | 25 C | 45 C | 120.02 24 C | 25 C | 189 C | 120.49 45 C | 25 C | 189 C | 118.75 12 C | 26 C | 22 C | 121.36 12 C | 26 C | 102 C | 108.36 22 C | 26 C | 102 C | 120.36 11 C | 27 C | 21 C | 119.78 11 C | 27 C | 40 C | 118.12 21 C | 27 C | 40 C | 120.45 29 C | 28 C | 34 C | 119.54 29 C | 28 C | 50 C | 117.72 34 C | 28 C | 50 C | 121.12 28 C | 29 C | 30 C | 121.12 28 C | 29 C | 33 C | 117.33 30 C | 29 C | 33 C | 118.99 29 C | 30 C | 31 C | 120.71 29 C | 30 C | 52 C | 119.02 31 C | 30 C | 52 C | 119.00 30 C | 31 C | 32 C | 120.51 30 C | 31 C | 109 C | 119.64 32 C | 31 C | 109 C | 118.70 31 C | 32 C | 54 C | 120.04 31 C | 32 C | 141 C | 120.00 54 C | 32 C | 141 C | 119.02 20 C | 33 C | 29 C | 121.67 20 C | 33 C | 107 C | 109.21 29 C | 33 C | 107 C | 119.88 19 C | 34 C | 28 C | 120.76 19 C | 34 C | 35 C | 118.18 28 C | 34 C | 35 C | 119.51 34 C | 35 C | 38 C | 118.71 34 C | 35 C | 48 C | 119.09 38 C | 35 C | 48 C | 120.69 37 C | 36 C | 39 C | 122.43 37 C | 36 C | 58 C | 108.74 39 C | 36 C | 58 C | 120.97 36 C | 37 C | 38 C | 121.92 36 C | 37 C | 47 C | 109.15 38 C | 37 C | 47 C | 121.02 15 C | 38 C | 35 C | 122.07 15 C | 38 C | 37 C | 117.26 35 C | 38 C | 37 C | 118.25 16 C | 39 C | 36 C | 117.32 16 C | 39 C | 40 C | 121.12 36 C | 39 C | 40 C | 119.19 27 C | 40 C | 39 C | 119.45 27 C | 40 C | 56 C | 119.22 39 C | 40 C | 56 C | 119.83 21 C | 41 C | 42 C | 118.83 21 C | 41 C | 55 C | 119.29 42 C | 41 C | 55 C | 120.20 41 C | 42 C | 43 C | 121.56 41 C | 42 C | 60 C | 117.97 43 C | 42 C | 60 C | 117.84 23 C | 43 C | 42 C | 117.65 23 C | 43 C | 44 C | 119.76 42 C | 43 C | 44 C | 121.27 43 C | 44 C | 45 C | 121.11 43 C | 44 C | 127 C | 120.18 45 C | 44 C | 127 C | 117.51 25 C | 45 C | 44 C | 118.87 25 C | 45 C | 190 C | 119.38 44 C | 45 C | 190 C | 120.75 47 C | 46 C | 48 C | 117.73 47 C | 46 C | 88 C | 118.87 48 C | 46 C | 88 C | 120.85 37 C | 47 C | 46 C | 122.14 37 C | 47 C | 59 C | 107.54 46 C | 47 C | 59 C | 120.76 35 C | 48 C | 46 C | 118.72 35 C | 48 C | 49 C | 121.33 46 C | 48 C | 49 C | 118.44 48 C | 49 C | 50 C | 119.65 48 C | 49 C | 76 C | 119.76 50 C | 49 C | 76 C | 118.96 28 C | 50 C | 49 C | 119.30 28 C | 50 C | 51 C | 119.61 49 C | 50 C | 51 C | 119.34 50 C | 51 C | 52 C | 121.02 50 C | 51 C | 78 C | 118.53 52 C | 51 C | 78 C | 117.56 30 C | 52 C | 51 C | 118.00 30 C | 52 C | 53 C | 120.39 51 C | 52 C | 53 C | 120.27 52 C | 53 C | 54 C | 120.59 52 C | 53 C | 117 C | 120.94 54 C | 53 C | 117 C | 117.50 32 C | 54 C | 53 C | 119.45 32 C | 54 C | 140 C | 120.30 53 C | 54 C | 140 C | 119.52 41 C | 55 C | 56 C | 120.14 41 C | 55 C | 68 C | 119.11 56 C | 55 C | 68 C | 119.19 40 C | 56 C | 55 C | 120.48 40 C | 56 C | 57 C | 118.85 55 C | 56 C | 57 C | 119.15 56 C | 57 C | 58 C | 117.99 56 C | 57 C | 82 C | 120.97 58 C | 57 C | 82 C | 118.48 36 C | 58 C | 57 C | 121.74 36 C | 58 C | 59 C | 107.59 57 C | 58 C | 59 C | 121.01 47 C | 59 C | 58 C | 106.97 47 C | 59 C | 84 C | 121.22 58 C | 59 C | 84 C | 121.35 42 C | 60 C | 67 C | 120.82 42 C | 60 C | 125 C | 120.40 67 C | 60 C | 125 C | 109.36 62 C | 61 C | 80 C | 118.52 62 C | 61 C | 81 C | 119.63 80 C | 61 C | 81 C | 120.08 61 C | 62 C | 63 C | 121.25 61 C | 62 C | 66 C | 117.84 63 C | 62 C | 66 C | 117.97 62 C | 63 C | 64 C | 120.65 62 C | 63 C | 97 C | 118.68 64 C | 63 C | 97 C | 119.33 63 C | 64 C | 65 C | 120.94 63 C | 64 C | 129 C | 120.09 65 C | 64 C | 129 C | 118.03 64 C | 65 C | 99 C | 120.04 64 C | 65 C | 175 C | 120.35 99 C | 65 C | 175 C | 118.92 62 C | 66 C | 67 C | 121.05 62 C | 66 C | 126 C | 120.60 67 C | 66 C | 126 C | 108.32 60 C | 67 C | 66 C | 107.93 60 C | 67 C | 68 C | 121.69 66 C | 67 C | 68 C | 121.67 55 C | 68 C | 67 C | 118.51 55 C | 68 C | 81 C | 120.18 67 C | 68 C | 81 C | 118.82 70 C | 69 C | 77 C | 121.00 70 C | 69 C | 113 C | 120.22 77 C | 69 C | 113 C | 109.41 69 C | 70 C | 71 C | 118.21 69 C | 70 C | 74 C | 117.70 71 C | 70 C | 74 C | 121.47 70 C | 71 C | 72 C | 121.04 70 C | 71 C | 92 C | 118.21 72 C | 71 C | 92 C | 119.44 71 C | 72 C | 73 C | 120.83 71 C | 72 C | 115 C | 119.95 73 C | 72 C | 115 C | 118.08 72 C | 73 C | 94 C | 119.49 72 C | 73 C | 162 C | 120.51 94 C | 73 C | 162 C | 119.09 70 C | 74 C | 75 C | 120.31 70 C | 74 C | 85 C | 118.33 75 C | 74 C | 85 C | 119.74 74 C | 75 C | 76 C | 119.22 74 C | 75 C | 88 C | 120.38 76 C | 75 C | 88 C | 118.86 49 C | 76 C | 75 C | 119.98 49 C | 76 C | 77 C | 119.31 75 C | 76 C | 77 C | 118.23 69 C | 77 C | 76 C | 121.86 69 C | 77 C | 78 C | 107.83 76 C | 77 C | 78 C | 121.54 51 C | 78 C | 77 C | 120.72 51 C | 78 C | 114 C | 121.01 77 C | 78 C | 114 C | 108.23 80 C | 79 C | 83 C | 119.89 80 C | 79 C | 89 C | 119.46 83 C | 79 C | 89 C | 119.19 61 C | 80 C | 79 C | 119.89 61 C | 80 C | 96 C | 118.61 79 C | 80 C | 96 C | 119.88 61 C | 81 C | 68 C | 119.37 61 C | 81 C | 82 C | 120.02 68 C | 81 C | 82 C | 119.02 57 C | 82 C | 81 C | 118.71 57 C | 82 C | 83 C | 119.74 81 C | 82 C | 83 C | 120.07 79 C | 83 C | 82 C | 120.05 79 C | 83 C | 84 C | 118.64 82 C | 83 C | 84 C | 119.89 59 C | 84 C | 83 C | 118.03 59 C | 84 C | 87 C | 118.37 83 C | 84 C | 87 C | 121.18 74 C | 85 C | 86 C | 119.91 74 C | 85 C | 91 C | 118.52 86 C | 85 C | 91 C | 119.84 85 C | 86 C | 87 C | 120.38 85 C | 86 C | 89 C | 119.32 87 C | 86 C | 89 C | 118.77 84 C | 87 C | 86 C | 118.92 84 C | 87 C | 88 C | 119.85 86 C | 87 C | 88 C | 119.83 46 C | 88 C | 75 C | 119.32 46 C | 88 C | 87 C | 119.47 75 C | 88 C | 87 C | 119.77 79 C | 89 C | 86 C | 120.40 79 C | 89 C | 90 C | 118.56 86 C | 89 C | 90 C | 118.64 89 C | 90 C | 95 C | 121.75 89 C | 90 C | 100 C | 121.52 95 C | 90 C | 100 C | 108.03 85 C | 91 C | 92 C | 121.41 85 C | 91 C | 95 C | 117.80 92 C | 91 C | 95 C | 117.85 71 C | 92 C | 91 C | 118.42 71 C | 92 C | 93 C | 119.52 91 C | 92 C | 93 C | 120.72 92 C | 93 C | 94 C | 120.96 92 C | 93 C | 123 C | 120.24 94 C | 93 C | 123 C | 117.83 73 C | 94 C | 93 C | 119.74 73 C | 94 C | 161 C | 119.21 93 C | 94 C | 161 C | 120.35 90 C | 95 C | 91 C | 120.97 90 C | 95 C | 120 C | 108.35 91 C | 95 C | 120 C | 120.66 80 C | 96 C | 97 C | 121.28 80 C | 96 C | 100 C | 117.89 97 C | 96 C | 100 C | 118.16 63 C | 97 C | 96 C | 118.04 63 C | 97 C | 98 C | 119.65 96 C | 97 C | 98 C | 120.96 97 C | 98 C | 99 C | 120.85 97 C | 98 C | 121 C | 120.19 99 C | 98 C | 121 C | 117.76 65 C | 99 C | 98 C | 119.16 65 C | 99 C | 176 C | 119.27 98 C | 99 C | 176 C | 120.64 90 C | 100 C | 96 C | 120.99 90 C | 100 C | 119 C | 109.22 96 C | 100 C | 119 C | 120.35 13 C | 101 C | 102 C | 106.86 13 C | 101 C | 103 C | 122.02 102 C | 101 C | 103 C | 120.68 26 C | 102 C | 101 C | 107.65 26 C | 102 C | 105 C | 121.95 101 C | 102 C | 105 C | 120.19 4 C | 103 C | 101 C | 117.30 4 C | 103 C | 104 C | 120.93 101 C | 103 C | 104 C | 119.19 103 C | 104 C | 106 C | 118.99 103 C | 104 C | 196 C | 120.01 106 C | 104 C | 196 C | 119.23 24 C | 105 C | 102 C | 117.73 24 C | 105 C | 106 C | 120.69 102 C | 105 C | 106 C | 119.56 104 C | 106 C | 105 C | 119.00 104 C | 106 C | 197 C | 119.62 105 C | 106 C | 197 C | 119.91 33 C | 107 C | 108 C | 106.69 33 C | 107 C | 109 C | 121.78 108 C | 107 C | 109 C | 121.00 18 C | 108 C | 107 C | 107.67 18 C | 108 C | 111 C | 121.81 107 C | 108 C | 111 C | 120.07 31 C | 109 C | 107 C | 117.92 31 C | 109 C | 110 C | 120.36 107 C | 109 C | 110 C | 119.13 109 C | 110 C | 112 C | 118.62 109 C | 110 C | 154 C | 119.62 112 C | 110 C | 154 C | 119.94 8 C | 111 C | 108 C | 117.57 8 C | 111 C | 112 C | 121.03 108 C | 111 C | 112 C | 119.22 110 C | 112 C | 111 C | 119.57 110 C | 112 C | 155 C | 119.17 111 C | 112 C | 155 C | 119.70 69 C | 113 C | 114 C | 106.73 69 C | 113 C | 115 C | 121.86 114 C | 113 C | 115 C | 120.87 78 C | 114 C | 113 C | 107.79 78 C | 114 C | 117 C | 121.75 113 C | 114 C | 117 C | 119.96 72 C | 115 C | 113 C | 117.60 72 C | 115 C | 116 C | 120.51 113 C | 115 C | 116 C | 119.31 115 C | 116 C | 118 C | 118.50 115 C | 116 C | 147 C | 119.79 118 C | 116 C | 147 C | 119.95 53 C | 117 C | 114 C | 117.18 53 C | 117 C | 118 C | 121.45 114 C | 117 C | 118 C | 119.18 116 C | 118 C | 117 C | 119.76 116 C | 118 C | 148 C | 119.06 117 C | 118 C | 148 C | 119.67 100 C | 119 C | 120 C | 106.76 100 C | 119 C | 121 C | 121.90 120 C | 119 C | 121 C | 120.65 95 C | 120 C | 119 C | 107.63 95 C | 120 C | 123 C | 121.78 119 C | 120 C | 123 C | 120.05 98 C | 121 C | 119 C | 117.35 98 C | 121 C | 122 C | 120.62 119 C | 121 C | 122 C | 119.35 121 C | 122 C | 124 C | 118.74 121 C | 122 C | 168 C | 120.07 124 C | 122 C | 168 C | 119.36 93 C | 123 C | 120 C | 117.48 93 C | 123 C | 124 C | 120.88 120 C | 123 C | 124 C | 119.48 122 C | 124 C | 123 C | 119.28 122 C | 124 C | 169 C | 119.26 123 C | 124 C | 169 C | 119.92 60 C | 125 C | 126 C | 106.72 60 C | 125 C | 127 C | 122.05 126 C | 125 C | 127 C | 120.58 66 C | 126 C | 125 C | 107.66 66 C | 126 C | 129 C | 121.77 125 C | 126 C | 129 C | 120.11 44 C | 127 C | 125 C | 117.17 44 C | 127 C | 128 C | 120.71 125 C | 127 C | 128 C | 119.41 127 C | 128 C | 130 C | 118.79 127 C | 128 C | 182 C | 120.18 130 C | 128 C | 182 C | 119.19 64 C | 129 C | 126 C | 117.62 64 C | 129 C | 130 C | 120.75 126 C | 129 C | 130 C | 119.54 128 C | 130 C | 129 C | 119.16 128 C | 130 C | 183 C | 119.47 129 C | 130 C | 183 C | 119.88 132 C | 131 C | 134 C | 121.58 132 C | 131 C | 135 C | 108.53 134 C | 131 C | 135 C | 122.36 131 C | 132 C | 133 C | 121.55 131 C | 132 C | 136 C | 109.59 133 C | 132 C | 136 C | 121.84 9 C | 133 C | 132 C | 118.77 9 C | 133 C | 155 C | 120.88 132 C | 133 C | 155 C | 118.70 5 C | 134 C | 131 C | 118.62 5 C | 134 C | 196 C | 120.72 131 C | 134 C | 196 C | 118.39 131 C | 135 C | 137 C | 107.76 131 C | 135 C | 199 C | 121.09 137 C | 135 C | 199 C | 121.65 132 C | 136 C | 137 C | 106.88 132 C | 136 C | 156 C | 121.67 137 C | 136 C | 156 C | 121.81 135 C | 137 C | 136 C | 107.15 135 C | 137 C | 219 C | 121.50 136 C | 137 C | 219 C | 121.03 139 C | 138 C | 141 C | 121.91 139 C | 138 C | 142 C | 107.76 141 C | 138 C | 142 C | 122.24 138 C | 139 C | 140 C | 120.73 138 C | 139 C | 143 C | 110.11 140 C | 139 C | 143 C | 120.82 54 C | 140 C | 139 C | 118.16 54 C | 140 C | 148 C | 122.03 139 C | 140 C | 148 C | 118.21 32 C | 141 C | 138 C | 118.59 32 C | 141 C | 154 C | 120.09 138 C | 141 C | 154 C | 119.08 138 C | 142 C | 144 C | 108.34 138 C | 142 C | 157 C | 120.60 144 C | 142 C | 157 C | 121.64 139 C | 143 C | 144 C | 105.84 139 C | 143 C | 149 C | 121.63 144 C | 143 C | 149 C | 121.91 142 C | 144 C | 143 C | 107.85 142 C | 144 C | 215 C | 121.39 143 C | 144 C | 215 C | 120.54 146 C | 145 C | 148 C | 119.62 146 C | 145 C | 149 C | 118.21 148 C | 145 C | 149 C | 120.13 145 C | 146 C | 147 C | 118.61 145 C | 146 C | 150 C | 119.16 147 C | 146 C | 150 C | 120.00 116 C | 147 C | 146 C | 121.32 116 C | 147 C | 162 C | 117.85 146 C | 147 C | 162 C | 118.97 118 C | 148 C | 140 C | 116.79 118 C | 148 C | 145 C | 121.30 140 C | 148 C | 145 C | 120.55 143 C | 149 C | 145 C | 116.74 143 C | 149 C | 214 C | 118.45 145 C | 149 C | 214 C | 121.42 146 C | 150 C | 151 C | 121.57 146 C | 150 C | 163 C | 117.53 151 C | 150 C | 163 C | 117.47 150 C | 151 C | 212 C | 119.68 150 C | 151 C | 214 C | 117.53 212 C | 151 C | 214 C | 120.67 153 C | 152 C | 155 C | 119.58 153 C | 152 C | 156 C | 118.48 155 C | 152 C | 156 C | 119.84 152 C | 153 C | 154 C | 118.71 152 C | 153 C | 157 C | 118.86 154 C | 153 C | 157 C | 120.14 110 C | 154 C | 141 C | 118.12 110 C | 154 C | 153 C | 121.12 141 C | 154 C | 153 C | 118.86 112 C | 155 C | 133 C | 117.57 112 C | 155 C | 152 C | 121.38 133 C | 155 C | 152 C | 119.59 136 C | 156 C | 152 C | 116.63 136 C | 156 C | 218 C | 118.27 152 C | 156 C | 218 C | 121.77 142 C | 157 C | 153 C | 117.49 142 C | 157 C | 158 C | 117.56 153 C | 157 C | 158 C | 121.63 157 C | 158 C | 216 C | 120.00 157 C | 158 C | 218 C | 117.69 216 C | 158 C | 218 C | 120.23 160 C | 159 C | 162 C | 121.74 160 C | 159 C | 163 C | 108.50 162 C | 159 C | 163 C | 122.35 159 C | 160 C | 161 C | 121.30 159 C | 160 C | 164 C | 109.90 161 C | 160 C | 164 C | 121.92 94 C | 161 C | 160 C | 118.89 94 C | 161 C | 169 C | 120.83 160 C | 161 C | 169 C | 118.79 73 C | 162 C | 147 C | 120.26 73 C | 162 C | 159 C | 118.62 147 C | 162 C | 159 C | 118.97 150 C | 163 C | 159 C | 120.67 150 C | 163 C | 165 C | 122.06 159 C | 163 C | 165 C | 107.55 160 C | 164 C | 165 C | 106.54 160 C | 164 C | 170 C | 121.52 165 C | 164 C | 170 C | 122.05 163 C | 165 C | 164 C | 107.40 163 C | 165 C | 211 C | 121.32 164 C | 165 C | 211 C | 120.78 167 C | 166 C | 169 C | 119.18 167 C | 166 C | 170 C | 118.73 169 C | 166 C | 170 C | 119.95 166 C | 167 C | 168 C | 118.75 166 C | 167 C | 171 C | 118.54 168 C | 167 C | 171 C | 120.35 122 C | 168 C | 167 C | 121.55 122 C | 168 C | 176 C | 117.41 167 C | 168 C | 176 C | 119.10 124 C | 169 C | 161 C | 117.47 124 C | 169 C | 166 C | 121.73 161 C | 169 C | 166 C | 119.41 164 C | 170 C | 166 C | 116.66 164 C | 170 C | 210 C | 118.13 166 C | 170 C | 210 C | 121.70 167 C | 171 C | 172 C | 121.77 167 C | 171 C | 177 C | 117.13 172 C | 171 C | 177 C | 117.56 171 C | 172 C | 208 C | 119.76 171 C | 172 C | 210 C | 117.80 208 C | 172 C | 210 C | 120.23 174 C | 173 C | 176 C | 121.46 174 C | 173 C | 177 C | 108.51 176 C | 173 C | 177 C | 122.54 173 C | 174 C | 175 C | 121.52 173 C | 174 C | 178 C | 109.81 175 C | 174 C | 178 C | 121.87 65 C | 175 C | 174 C | 118.97 65 C | 175 C | 183 C | 120.61 174 C | 175 C | 183 C | 119.00 99 C | 176 C | 168 C | 120.48 99 C | 176 C | 173 C | 118.71 168 C | 176 C | 173 C | 118.58 171 C | 177 C | 173 C | 120.83 171 C | 177 C | 179 C | 121.83 173 C | 177 C | 179 C | 107.50 174 C | 178 C | 179 C | 106.67 174 C | 178 C | 184 C | 121.39 179 C | 178 C | 184 C | 122.21 177 C | 179 C | 178 C | 107.38 177 C | 179 C | 207 C | 121.49 178 C | 179 C | 207 C | 120.68 181 C | 180 C | 183 C | 119.04 181 C | 180 C | 184 C | 119.02 183 C | 180 C | 184 C | 119.89 180 C | 181 C | 182 C | 118.94 180 C | 181 C | 185 C | 118.34 182 C | 181 C | 185 C | 120.46 128 C | 182 C | 181 C | 121.47 128 C | 182 C | 190 C | 117.27 181 C | 182 C | 190 C | 119.33 130 C | 183 C | 175 C | 117.70 130 C | 183 C | 180 C | 121.76 175 C | 183 C | 180 C | 119.22 178 C | 184 C | 180 C | 116.84 178 C | 184 C | 206 C | 118.10 180 C | 184 C | 206 C | 121.68 181 C | 185 C | 186 C | 121.64 181 C | 185 C | 191 C | 116.99 186 C | 185 C | 191 C | 117.95 185 C | 186 C | 204 C | 119.73 185 C | 186 C | 206 C | 118.04 204 C | 186 C | 206 C | 120.10 188 C | 187 C | 190 C | 121.35 188 C | 187 C | 191 C | 108.61 190 C | 187 C | 191 C | 122.39 187 C | 188 C | 189 C | 121.46 187 C | 188 C | 192 C | 109.51 189 C | 188 C | 192 C | 121.89 25 C | 189 C | 188 C | 119.07 25 C | 189 C | 197 C | 120.36 188 C | 189 C | 197 C | 119.00 45 C | 190 C | 182 C | 120.43 45 C | 190 C | 187 C | 118.86 182 C | 190 C | 187 C | 118.39 185 C | 191 C | 187 C | 120.96 185 C | 191 C | 193 C | 121.58 187 C | 191 C | 193 C | 107.70 188 C | 192 C | 193 C | 106.84 188 C | 192 C | 198 C | 121.35 193 C | 192 C | 198 C | 121.88 191 C | 193 C | 192 C | 107.24 191 C | 193 C | 203 C | 121.28 192 C | 193 C | 203 C | 120.98 195 C | 194 C | 197 C | 118.95 195 C | 194 C | 198 C | 118.89 197 C | 194 C | 198 C | 120.01 194 C | 195 C | 196 C | 119.12 194 C | 195 C | 199 C | 118.34 196 C | 195 C | 199 C | 120.27 104 C | 196 C | 134 C | 117.36 104 C | 196 C | 195 C | 121.34 134 C | 196 C | 195 C | 119.43 106 C | 197 C | 189 C | 117.77 106 C | 197 C | 194 C | 121.64 189 C | 197 C | 194 C | 119.17 192 C | 198 C | 194 C | 116.81 192 C | 198 C | 202 C | 118.03 194 C | 198 C | 202 C | 121.69 135 C | 199 C | 195 C | 117.03 135 C | 199 C | 200 C | 117.79 195 C | 199 C | 200 C | 121.81 199 C | 200 C | 202 C | 117.95 199 C | 200 C | 220 C | 119.79 202 C | 200 C | 220 C | 120.15 202 C | 201 C | 203 C | 120.87 202 C | 201 C | 222 C | 119.26 203 C | 201 C | 222 C | 117.97 198 C | 202 C | 200 C | 118.31 198 C | 202 C | 201 C | 119.16 200 C | 202 C | 201 C | 120.27 193 C | 203 C | 201 C | 117.78 193 C | 203 C | 204 C | 117.08 201 C | 203 C | 204 C | 122.56 186 C | 204 C | 203 C | 121.11 186 C | 204 C | 223 C | 118.91 203 C | 204 C | 223 C | 118.15 206 C | 205 C | 207 C | 121.08 206 C | 205 C | 226 C | 118.92 207 C | 205 C | 226 C | 118.11 184 C | 206 C | 186 C | 118.31 184 C | 206 C | 205 C | 118.79 186 C | 206 C | 205 C | 120.65 179 C | 207 C | 205 C | 117.83 179 C | 207 C | 208 C | 116.76 205 C | 207 C | 208 C | 122.87 172 C | 208 C | 207 C | 121.35 172 C | 208 C | 227 C | 119.09 207 C | 208 C | 227 C | 117.71 210 C | 209 C | 211 C | 120.96 210 C | 209 C | 230 C | 119.09 211 C | 209 C | 230 C | 118.02 170 C | 210 C | 172 C | 118.51 170 C | 210 C | 209 C | 118.86 172 C | 210 C | 209 C | 120.29 165 C | 211 C | 209 C | 117.92 165 C | 211 C | 212 C | 116.66 209 C | 211 C | 212 C | 122.87 151 C | 212 C | 211 C | 121.55 151 C | 212 C | 231 C | 118.90 211 C | 212 C | 231 C | 117.77 214 C | 213 C | 215 C | 120.69 214 C | 213 C | 234 C | 119.02 215 C | 213 C | 234 C | 118.41 149 C | 214 C | 151 C | 118.94 149 C | 214 C | 213 C | 118.81 151 C | 214 C | 213 C | 120.02 144 C | 215 C | 213 C | 118.22 144 C | 215 C | 216 C | 116.77 213 C | 215 C | 216 C | 122.53 158 C | 216 C | 215 C | 121.29 158 C | 216 C | 235 C | 119.20 215 C | 216 C | 235 C | 117.76 218 C | 217 C | 219 C | 120.73 218 C | 217 C | 238 C | 119.28 219 C | 217 C | 238 C | 118.14 156 C | 218 C | 158 C | 118.61 156 C | 218 C | 217 C | 119.01 158 C | 218 C | 217 C | 120.20 137 C | 219 C | 217 C | 117.89 137 C | 219 C | 220 C | 116.92 217 C | 219 C | 220 C | 122.69 200 C | 220 C | 219 C | 121.06 200 C | 220 C | 239 C | 119.23 219 C | 220 C | 239 C | 117.93 222 C | 221 C | 223 C | 122.98 222 C | 221 C | 224 C | 117.54 223 C | 221 C | 224 C | 117.21 201 C | 222 C | 221 C | 118.33 201 C | 222 C | 239 C | 120.70 221 C | 222 C | 239 C | 119.25 204 C | 223 C | 221 C | 118.44 204 C | 223 C | 226 C | 120.64 221 C | 223 C | 226 C | 119.21 221 C | 224 C | 228 C | 123.07 221 C | 224 C | 240 C | 122.86 228 C | 224 C | 240 C | 107.96 226 C | 225 C | 227 C | 123.22 226 C | 225 C | 228 C | 117.24 227 C | 225 C | 228 C | 117.27 205 C | 226 C | 223 C | 120.77 205 C | 226 C | 225 C | 117.97 223 C | 226 C | 225 C | 119.52 208 C | 227 C | 225 C | 118.62 208 C | 227 C | 230 C | 120.35 225 C | 227 C | 230 C | 119.29 224 C | 228 C | 225 C | 123.01 224 C | 228 C | 232 C | 107.99 225 C | 228 C | 232 C | 122.87 230 C | 229 C | 231 C | 123.20 230 C | 229 C | 232 C | 117.38 231 C | 229 C | 232 C | 117.17 209 C | 230 C | 227 C | 120.95 209 C | 230 C | 229 C | 117.99 227 C | 230 C | 229 C | 119.29 212 C | 231 C | 229 C | 118.64 212 C | 231 C | 234 C | 120.18 229 C | 231 C | 234 C | 119.50 228 C | 232 C | 229 C | 123.12 228 C | 232 C | 236 C | 107.99 229 C | 232 C | 236 C | 122.79 234 C | 233 C | 235 C | 122.95 234 C | 233 C | 236 C | 117.39 235 C | 233 C | 236 C | 117.46 213 C | 234 C | 231 C | 121.20 213 C | 234 C | 233 C | 117.92 231 C | 234 C | 233 C | 119.20 216 C | 235 C | 233 C | 118.86 216 C | 235 C | 238 C | 120.25 233 C | 235 C | 238 C | 119.23 232 C | 236 C | 233 C | 123.19 232 C | 236 C | 240 C | 108.01 233 C | 236 C | 240 C | 122.75 238 C | 237 C | 239 C | 122.92 238 C | 237 C | 240 C | 117.48 239 C | 237 C | 240 C | 117.38 217 C | 238 C | 235 C | 120.83 217 C | 238 C | 237 C | 118.17 235 C | 238 C | 237 C | 119.31 220 C | 239 C | 222 C | 120.39 220 C | 239 C | 237 C | 118.64 222 C | 239 C | 237 C | 119.27 224 C | 240 C | 236 C | 108.06 224 C | 240 C | 237 C | 122.93 236 C | 240 C | 237 C | 123.01 ------------------------------------------------------------------------------ number of included internuclear angles: 720 ============================================================================== library name resolved from: environment library file name is: </scratch/system/bwjenkins/sw_workdir/retest/2021-09-22T15:51:19.659768/nwchem_6.6_cle5.2_gnu5.1.0/data/libraries/> Basis "ao basis" -> "" (cartesian) ----- C (Carbon) ---------- Exponent Coefficients -------------- --------------------------------------------------------- 1 S 3.04752490E+03 0.001835 1 S 4.57369510E+02 0.014037 1 S 1.03948690E+02 0.068843 1 S 2.92101550E+01 0.232184 1 S 9.28666300E+00 0.467941 1 S 3.16392700E+00 0.362312 2 S 7.86827240E+00 -0.119332 2 S 1.88128850E+00 -0.160854 2 S 5.44249300E-01 1.143456 3 P 7.86827240E+00 0.068999 3 P 1.88128850E+00 0.316424 3 P 5.44249300E-01 0.744308 4 S 1.68714400E-01 1.000000 5 P 1.68714400E-01 1.000000 6 D 8.00000000E-01 1.000000 Summary of "ao basis" -> "" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- C user specified 6 15 3s2p1d NWChem DFT Module ----------------- Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- C user specified 6 15 3s2p1d Caching 1-el integrals General Information ------------------- SCF calculation type: DFT Wavefunction type: closed shell. No. of atoms : 240 No. of electrons : 1440 Alpha electrons : 720 Beta electrons : 720 Charge : 0 Spin multiplicity: 1 Use of symmetry is: off; symmetry adaption is: off Maximum number of iterations: 4 This is a Direct SCF calculation. AO basis - number of functions: 3600 number of shells: 1440 Convergence on energy requested: 1.00D-06 Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 XC Information -------------- PBE0 Method XC Functional Hartree-Fock (Exact) Exchange 0.250 PerdewBurkeErnzerhof Exchange Functional 0.750 Perdew 1991 LDA Correlation Functional 1.000 local PerdewBurkeErnz. Correlation Functional 1.000 non-local Grid Information ---------------- Grid used for XC integration: medium Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- C 0.70 49 15.0 434 Grid pruning is: on Number of quadrature shells: 11760 Spatial weights used: Erf1 Convergence Information ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 4 iters 4 iters Screening Tolerance Information ------------------------------- Density screening/tol_rho: 1.00D-10 AO Gaussian exp screening on grid/accAOfunc: 14 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 <<<<<< Before call to DFT_SCF. >>>>>> <<<<<< date: Sep 22 time: 15:52:20 >>>>>> <<<<<< Before 3c-2e initialize. >>>>>> <<<<<< date: Sep 22 time: 15:52:20 >>>>>> Superposition of Atomic Density Guess ------------------------------------- Sum of atomic energies: -9038.46099563 Non-variational initial energy ------------------------------ Total energy = -9227.773601 1-e energy = -155477.628661 2-e energy = 74518.540307 HOMO = -0.162628 LUMO = -0.107661 Time after variat. SCF: 120.5 Time prior to 1st pass: 120.5 <<<<<< Before SCF iter loop. >>>>>> <<<<<< date: Sep 22 time: 15:54:14 >>>>>> <<<<<< calling 1-e int >>>>>> <<<<<< date: Sep 22 time: 15:54:14 >>>>>> Kinetic Matrix Time: 0.0s Potential Matrix Time: 0.0s <<<<<< Before call to GETVCOUL. >>>>>> <<<<<< date: Sep 22 time: 15:54:14 >>>>>> <<<<<< Before call to GETVXC. >>>>>> <<<<<< date: Sep 22 time: 15:54:14 >>>>>> <<<<<< Before call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 15:54:14 >>>>>> <<<<<< After call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 15:56:13 >>>>>> Fock_2e Build Time: 118.2s Grid_pts file = ./c240.gridpts.000 Record size in doubles = 12289 No. of grid_pts per rec = 3070 Max. records in memory = 9 Max. recs in file = 4085681 Fock_xc Build Time: 7.9s <<<<<< End of parallel region. >>>>>> <<<<<< date: Sep 22 time: 15:56:21 >>>>>> Total Fock Matrix Build Time: 126.2s <<<<<< calling diis driver >>>>>> <<<<<< date: Sep 22 time: 15:56:21 >>>>>> <<<<<< called diis driver >>>>>> <<<<<< date: Sep 22 time: 15:56:26 >>>>>> <<<<<< calling diag >>>>>> <<<<<< date: Sep 22 time: 15:56:29 >>>>>> <<<<<< called diag >>>>>> <<<<<< date: Sep 22 time: 15:56:32 >>>>>> Diagonalization Time: 2.4s <<<<<< calling densm >>>>>> <<<<<< date: Sep 22 time: 15:56:33 >>>>>> <<<<<< called densm >>>>>> <<<<<< date: Sep 22 time: 15:56:34 >>>>>> Memory utilization after 1st SCF pass: Heap Space remaining (MW): 0.00 781 Stack Space remaining (MW): 78.57 78566276 convergence iter energy DeltaE RMS-Dens Diis-err time ---------------- ----- ----------------- --------- --------- --------- ------ d= 0,ls=0.0,diis 1 -9134.7858758382 -8.09D+04 4.52D-02 1.96D+01 259.9 <<<<<< calling scfcvg >>>>>> <<<<<< date: Sep 22 time: 15:56:35 >>>>>> <<<<<< called scfcvg >>>>>> <<<<<< date: Sep 22 time: 15:56:35 >>>>>> <<<<<< calling 1-e int >>>>>> <<<<<< date: Sep 22 time: 15:56:35 >>>>>> Kinetic Matrix Time: 0.0s Potential Matrix Time: 0.0s <<<<<< Before call to GETVCOUL. >>>>>> <<<<<< date: Sep 22 time: 15:56:35 >>>>>> <<<<<< Before call to GETVXC. >>>>>> <<<<<< date: Sep 22 time: 15:56:35 >>>>>> <<<<<< Before call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 15:56:35 >>>>>> <<<<<< After call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 16:00:02 >>>>>> Fock_2e Build Time: 206.5s Fock_xc Build Time: 5.8s <<<<<< End of parallel region. >>>>>> <<<<<< date: Sep 22 time: 16:00:08 >>>>>> Total Fock Matrix Build Time: 212.4s <<<<<< calling diis driver >>>>>> <<<<<< date: Sep 22 time: 16:00:08 >>>>>> <<<<<< called diis driver >>>>>> <<<<<< date: Sep 22 time: 16:00:14 >>>>>> <<<<<< calling diag >>>>>> <<<<<< date: Sep 22 time: 16:00:17 >>>>>> <<<<<< called diag >>>>>> <<<<<< date: Sep 22 time: 16:00:19 >>>>>> Diagonalization Time: 2.4s <<<<<< calling densm >>>>>> <<<<<< date: Sep 22 time: 16:00:20 >>>>>> <<<<<< called densm >>>>>> <<<<<< date: Sep 22 time: 16:00:21 >>>>>> d= 0,ls=0.0,diis 2 -9136.2205812910 -1.43D+00 4.51D-02 4.86D+00 485.0 <<<<<< calling scfcvg >>>>>> <<<<<< date: Sep 22 time: 16:00:22 >>>>>> <<<<<< called scfcvg >>>>>> <<<<<< date: Sep 22 time: 16:00:22 >>>>>> <<<<<< calling 1-e int >>>>>> <<<<<< date: Sep 22 time: 16:00:22 >>>>>> Kinetic Matrix Time: 0.0s Potential Matrix Time: 0.0s <<<<<< Before call to GETVCOUL. >>>>>> <<<<<< date: Sep 22 time: 16:00:22 >>>>>> <<<<<< Before call to GETVXC. >>>>>> <<<<<< date: Sep 22 time: 16:00:22 >>>>>> <<<<<< Before call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 16:00:22 >>>>>> <<<<<< After call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 16:03:47 >>>>>> Fock_2e Build Time: 205.1s Fock_xc Build Time: 5.4s <<<<<< End of parallel region. >>>>>> <<<<<< date: Sep 22 time: 16:03:53 >>>>>> Total Fock Matrix Build Time: 210.7s <<<<<< calling diis driver >>>>>> <<<<<< date: Sep 22 time: 16:03:53 >>>>>> <<<<<< called diis driver >>>>>> <<<<<< date: Sep 22 time: 16:03:58 >>>>>> <<<<<< calling diag >>>>>> <<<<<< date: Sep 22 time: 16:04:01 >>>>>> <<<<<< called diag >>>>>> <<<<<< date: Sep 22 time: 16:04:04 >>>>>> Diagonalization Time: 2.5s <<<<<< calling densm >>>>>> <<<<<< date: Sep 22 time: 16:04:05 >>>>>> <<<<<< called densm >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> d= 0,ls=0.0,diis 3 -9135.5707688494 6.50D-01 1.09D-03 9.37D+00 708.2 <<<<<< calling scfcvg >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> <<<<<< called scfcvg >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> <<<<<< calling 1-e int >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> Kinetic Matrix Time: 0.0s Potential Matrix Time: 0.0s <<<<<< Before call to GETVCOUL. >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> <<<<<< Before call to GETVXC. >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> <<<<<< Before call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> <<<<<< After call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 16:07:31 >>>>>> Fock_2e Build Time: 204.6s Fock_xc Build Time: 5.4s <<<<<< End of parallel region. >>>>>> <<<<<< date: Sep 22 time: 16:07:37 >>>>>> Total Fock Matrix Build Time: 210.2s <<<<<< calling diis driver >>>>>> <<<<<< date: Sep 22 time: 16:07:37 >>>>>> <<<<<< called diis driver >>>>>> <<<<<< date: Sep 22 time: 16:07:42 >>>>>> <<<<<< calling diag >>>>>> <<<<<< date: Sep 22 time: 16:07:45 >>>>>> <<<<<< called diag >>>>>> <<<<<< date: Sep 22 time: 16:07:48 >>>>>> Diagonalization Time: 2.5s <<<<<< calling densm >>>>>> <<<<<< date: Sep 22 time: 16:07:49 >>>>>> <<<<<< called densm >>>>>> <<<<<< date: Sep 22 time: 16:07:50 >>>>>> d= 0,ls=0.0,diis 4 -9136.8444222231 -1.27D+00 2.67D-04 1.45D-01 930.8 <<<<<< calling scfcvg >>>>>> <<<<<< date: Sep 22 time: 16:07:50 >>>>>> <<<<<< called scfcvg >>>>>> <<<<<< date: Sep 22 time: 16:07:50 >>>>>> Calculation failed to converge ------------------------------ Total DFT energy = -9136.844422223119 One electron energy = -155556.524006683583 Coulomb energy = 75980.786536027008 Exchange-Corr. energy = -1292.421705321080 Nuclear repulsion energy = 71731.314753754530 Numeric. integr. density = 1440.000992384418 Total iterative time = 810.4s DFT Final Molecular Orbital Analysis ------------------------------------ Vector 240 Occ=2.000000D+00 E=-1.025831D+01 MO Center= -6.9D+00, -1.4D+00, -2.4D+00, r^2= 3.5D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2056 0.991524 138 C s Vector 241 Occ=2.000000D+00 E=-9.990901D-01 MO Center= -1.3D-01, 2.0D-01, 5.3D+00, r^2= 2.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 527 0.109951 36 C s 542 0.110126 37 C s 692 0.102531 47 C s 857 0.101612 58 C s Vector 242 Occ=2.000000D+00 E=-9.964523D-01 MO Center= -3.3D-02, 3.4D-03, -6.7D+00, r^2= 5.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3587 0.162242 240 C s 3347 0.160839 224 C s 3527 0.161518 236 C s 3407 0.160481 228 C s 3467 0.160937 232 C s Vector 243 Occ=2.000000D+00 E=-9.924819D-01 MO Center= 3.1D-01, -3.8D-01, 2.9D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1337 -0.087655 90 C s 1412 -0.085039 95 C s 1487 -0.081233 100 C s 167 0.080377 12 C s 1787 -0.080476 120 C s Vector 244 Occ=2.000000D+00 E=-9.912736D-01 MO Center= 5.4D-01, 1.7D-01, 3.0D+00, r^2= 4.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 992 0.085315 67 C s 887 0.080967 60 C s 977 0.081227 66 C s 1877 0.077570 126 C s Vector 245 Occ=2.000000D+00 E=-9.899217D-01 MO Center= -7.4D-01, 2.3D-01, 3.8D+00, r^2= 3.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 527 0.104994 36 C s 542 0.104043 37 C s 857 0.098703 58 C s 692 0.097145 47 C s Vector 246 Occ=2.000000D+00 E=-9.852732D-01 MO Center= -2.5D+00, 3.2D-01, 2.8D+00, r^2= 3.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 287 0.098444 20 C s 257 0.094468 18 C s 1607 0.093026 108 C s 482 0.091627 33 C s 1592 0.090205 107 C s Vector 247 Occ=2.000000D+00 E=-9.850215D-01 MO Center= 2.6D+00, -3.5D-01, 2.8D+00, r^2= 3.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 992 0.102394 67 C s 887 0.098617 60 C s 1877 0.097207 126 C s 977 0.096661 66 C s 1862 0.097008 125 C s Vector 248 Occ=2.000000D+00 E=-9.790498D-01 MO Center= -2.9D+00, 4.3D+00, -1.7D+00, r^2= 2.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1952 0.136917 131 C s 1967 0.136736 132 C s Vector 249 Occ=2.000000D+00 E=-9.777855D-01 MO Center= 2.4D+00, -3.7D+00, -1.6D+00, r^2= 3.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2387 0.104027 160 C s 2372 0.100953 159 C s Vector 250 Occ=2.000000D+00 E=-9.758967D-01 MO Center= 2.4D+00, -1.6D+00, -1.8D+00, r^2= 4.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2372 0.092931 159 C s 2387 0.090062 160 C s 2597 -0.088750 174 C s 2582 -0.084112 173 C s Vector 251 Occ=2.000000D+00 E=-9.730829D-01 MO Center= 3.1D+00, 2.5D+00, -1.8D+00, r^2= 3.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2807 0.123593 188 C s 2792 0.120977 187 C s Vector 252 Occ=2.000000D+00 E=-9.685968D-01 MO Center= -4.9D+00, -1.4D+00, -1.5D+00, r^2= 2.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2057 0.131251 138 C s 2072 0.124145 139 C s Vector 253 Occ=2.000000D+00 E=-9.584357D-01 MO Center= 1.4D-01, -9.5D-02, 3.4D+00, r^2= 3.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1292 0.092248 87 C s 227 -0.089365 16 C s 1247 0.086193 84 C s Vector 254 Occ=2.000000D+00 E=-9.576584D-01 MO Center= -5.9D-01, -1.6D-01, 3.2D+00, r^2= 3.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 707 0.095224 48 C s 512 0.091561 35 C s Vector 255 Occ=2.000000D+00 E=-9.565408D-01 MO Center= 1.5D+00, 3.5D-01, 2.0D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 632 0.078556 43 C s 932 -0.077770 63 C s 1442 -0.076083 97 C s 332 0.074676 23 C s 902 -0.072259 61 C s Vector 256 Occ=2.000000D+00 E=-9.562394D-01 MO Center= -6.1D-01, -2.7D-02, 2.0D+00, r^2= 4.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 437 0.069019 30 C s 767 0.067881 52 C s 92 -0.064188 7 C s 422 0.064022 29 C s 32 -0.062482 3 C s 752 0.062624 51 C s Vector 257 Occ=2.000000D+00 E=-9.517510D-01 MO Center= -7.2D-02, 2.5D-01, 1.6D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 527 0.064217 36 C s 542 0.063244 37 C s 857 0.061226 58 C s 692 0.058668 47 C s 197 -0.058064 14 C s Vector 258 Occ=2.000000D+00 E=-9.482650D-01 MO Center= -2.5D-01, -1.3D-01, -1.3D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3572 -0.069370 239 C s 3437 0.068688 230 C s 3542 -0.066649 237 C s 122 0.065040 9 C s 1082 -0.064426 73 C s 3287 -0.064512 220 C s 1067 -0.062691 72 C s 3122 0.062550 209 C s Vector 259 Occ=2.000000D+00 E=-9.472725D-01 MO Center= 3.3D-01, 1.0D+00, -4.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2927 0.072374 196 C s 1547 0.069829 104 C s Vector 260 Occ=2.000000D+00 E=-9.468695D-01 MO Center= 5.4D-01, -1.6D+00, -3.8D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2522 0.075161 169 C s 1847 0.074181 124 C s 1817 0.069444 122 C s Vector 261 Occ=2.000000D+00 E=-9.466264D-01 MO Center= -4.7D-01, 7.3D-01, -1.4D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 452 0.065581 31 C s 3332 0.065108 223 C s 3497 -0.065426 234 C s 3182 -0.063022 213 C s 467 0.061338 32 C s 3482 -0.061445 233 C s 437 0.060924 30 C s 362 -0.059704 25 C s 3047 0.059784 204 C s Vector 262 Occ=2.000000D+00 E=-9.386156D-01 MO Center= -7.3D-02, -1.1D-01, 1.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3572 0.068346 239 C s 3287 0.066690 220 C s 3557 0.064845 238 C s 3242 0.063130 217 C s Vector 263 Occ=2.000000D+00 E=-9.380734D-01 MO Center= 5.2D-02, 5.2D-02, -6.1D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3437 0.083844 230 C s 3392 0.079650 227 C s Vector 264 Occ=2.000000D+00 E=-9.373250D-01 MO Center= 5.7D-02, 7.8D-02, -1.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 332 0.071457 23 C s 437 -0.071070 30 C s 3482 -0.064373 233 C s Vector 265 Occ=2.000000D+00 E=-9.358683D-01 MO Center= 6.4D-01, 3.7D-01, 4.0D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 392 0.065363 27 C s 587 0.064134 40 C s 2912 0.061434 195 C s 1232 -0.060307 83 C s 1202 -0.059848 81 C s 3017 0.059334 202 C s Vector 266 Occ=2.000000D+00 E=-9.355492D-01 MO Center= -2.6D-01, -6.4D-01, 5.1D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1292 0.069450 87 C s 1277 0.066178 86 C s Vector 267 Occ=2.000000D+00 E=-9.350422D-01 MO Center= -7.3D-01, 3.0D-01, -1.0D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 212 0.070314 15 C s 1577 0.067020 106 C s 2297 0.066929 154 C s 2942 0.065940 197 C s 1817 -0.064702 122 C s Vector 268 Occ=2.000000D+00 E=-9.336861D-01 MO Center= 4.3D-01, 1.1D-02, -1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2117 0.068164 142 C s 2057 0.063385 138 C s 2147 0.063690 144 C s 2807 -0.062939 188 C s 2867 -0.062198 192 C s Vector 269 Occ=2.000000D+00 E=-9.254222D-01 MO Center= -3.5D-01, -2.3D-01, -2.0D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3437 0.060408 230 C s 3122 0.056569 209 C s 3392 0.056302 227 C s 3557 0.055268 238 C s 3572 0.054989 239 C s Vector 270 Occ=2.000000D+00 E=-9.205597D-01 MO Center= -1.1D-01, -1.3D-02, 8.5D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1727 0.064817 116 C s 1667 0.061944 112 C s 1937 0.059190 130 C s Vector 271 Occ=2.000000D+00 E=-9.175977D-01 MO Center= -3.9D-01, 5.2D-01, -1.1D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3017 0.078925 202 C s 3257 -0.076381 218 C s 2987 0.073424 200 C s Vector 272 Occ=2.000000D+00 E=-9.171411D-01 MO Center= 6.1D-01, -4.4D-01, -1.3D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3137 0.077643 210 C s 2567 0.072543 172 C s 3077 -0.072721 206 C s Vector 273 Occ=2.000000D+00 E=-9.168352D-01 MO Center= -3.2D-01, 2.3D-01, 4.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 77 0.067719 6 C s 557 -0.067358 38 C s 2 0.064449 1 C s 2492 -0.063493 167 C s 62 -0.062318 5 C s 212 -0.061438 15 C s Vector 274 Occ=2.000000D+00 E=-9.164215D-01 MO Center= 4.5D-01, 1.5D-01, 8.3D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1427 0.078883 96 C s Vector 275 Occ=2.000000D+00 E=-9.162552D-01 MO Center= -2.6D-02, -3.5D-01, 4.1D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1802 -0.066521 121 C s 2297 -0.065267 154 C s 1742 0.063305 117 C s 107 0.061151 8 C s 947 0.061016 64 C s Vector 276 Occ=2.000000D+00 E=-9.156105D-01 MO Center= 2.2D-01, 2.1D-01, 7.2D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 617 0.073665 42 C s 2162 -0.069667 145 C s 602 0.068046 41 C s Vector 277 Occ=2.000000D+00 E=-9.153151D-01 MO Center= -4.1D-01, -1.9D-01, 6.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 737 0.077163 50 C s 797 -0.074339 54 C s 407 0.073861 28 C s 2687 -0.070135 180 C s Vector 278 Occ=2.000000D+00 E=-8.993458D-01 MO Center= 2.0D-01, 3.8D-01, -2.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2897 0.078680 194 C s 2912 0.071135 195 C s Vector 279 Occ=2.000000D+00 E=-8.986018D-01 MO Center= -5.6D-02, -2.3D-01, -3.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 347 0.069852 24 C s 1712 0.068418 115 C s 1562 0.065341 105 C s 1067 0.064841 72 C s Vector 280 Occ=2.000000D+00 E=-8.984905D-01 MO Center= -2.9D-01, -7.8D-02, -4.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 107 0.074262 8 C s 1652 0.074385 111 C s 1802 0.073622 121 C s 1457 0.071336 98 C s Vector 281 Occ=2.000000D+00 E=-8.969056D-01 MO Center= -3.8D-01, -2.9D-01, -1.4D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3002 0.072124 201 C s 3032 0.068775 203 C s 3047 0.065913 204 C s 3107 -0.065316 208 C s Vector 282 Occ=2.000000D+00 E=-8.967260D-01 MO Center= 3.5D-01, 1.3D-01, -1.4D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3227 0.073441 216 C s 3482 0.066857 233 C s 3182 0.066200 213 C s 3512 0.066322 235 C s Vector 283 Occ=2.000000D+00 E=-8.935730D-01 MO Center= -2.1D-02, -6.6D-04, 1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1322 0.078956 89 C s Vector 284 Occ=2.000000D+00 E=-8.922263D-01 MO Center= 5.1D-02, 6.4D-02, 1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1007 0.068510 68 C s 1127 -0.067581 76 C s 842 -0.063653 57 C s 272 -0.062236 19 C s Vector 285 Occ=2.000000D+00 E=-8.889646D-01 MO Center= 7.2D-02, -4.2D-02, 3.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 422 0.063945 29 C s 752 -0.060776 51 C s 1037 0.060185 70 C s 1352 -0.059965 91 C s 2927 -0.060181 196 C s 1427 0.058265 96 C s Vector 286 Occ=2.000000D+00 E=-8.876003D-01 MO Center= 1.1D-01, 1.4D-01, 3.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1847 0.065318 124 C s 1397 -0.064758 94 C s 1817 0.064969 122 C s 1547 -0.064563 104 C s 617 -0.063639 42 C s 1442 -0.062841 97 C s 1667 -0.063029 112 C s 62 0.060529 5 C s 1457 -0.060397 98 C s 2312 -0.060055 155 C s Vector 287 Occ=2.000000D+00 E=-8.872879D-01 MO Center= 2.7D-01, -1.4D-01, 5.7D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 932 0.077872 63 C s 1277 0.072240 86 C s Vector 288 Occ=2.000000D+00 E=-8.870517D-01 MO Center= -9.5D-02, 3.3D-01, 8.3D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 392 0.079888 27 C s Vector 289 Occ=2.000000D+00 E=-8.867007D-01 MO Center= 3.0D-02, -1.6D-01, 6.6D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2207 0.072652 148 C s 722 0.071350 49 C s 2717 -0.069850 182 C s 767 -0.068205 52 C s 632 0.066697 43 C s Vector 290 Occ=2.000000D+00 E=-8.782935D-01 MO Center= -5.0D-02, -8.6D-03, 3.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 167 0.056728 12 C s 1337 0.056816 90 C s 287 0.054307 20 C s 1142 0.051653 77 C s 2147 -0.051576 144 C s 2822 0.051546 189 C s Vector 291 Occ=2.000000D+00 E=-8.756286D-01 MO Center= -4.8D-02, -8.3D-02, -7.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3407 -0.058547 228 C s 1967 0.058024 132 C s 3092 0.057481 207 C s 3272 -0.056493 219 C s 3587 0.054504 240 C s 2057 0.052789 138 C s Vector 292 Occ=2.000000D+00 E=-8.753513D-01 MO Center= -1.3D-01, 4.9D-02, -8.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3347 -0.059797 224 C s 2372 0.059462 159 C s 3152 -0.056750 211 C s Vector 293 Occ=2.000000D+00 E=-8.708247D-01 MO Center= -3.2D-02, -5.8D-03, -2.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1577 0.057917 106 C s 1817 0.057662 122 C s 1547 0.056721 104 C s 1637 0.056184 110 C s 3077 -0.055491 206 C s 2252 -0.055084 151 C s 1667 0.054672 112 C s 1757 0.054750 118 C s 3257 -0.054880 218 C s 1847 0.053610 124 C s Vector 294 Occ=2.000000D+00 E=-8.693370D-01 MO Center= -4.5D-01, 1.1D-01, -9.6D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3287 -0.067635 220 C s 3047 0.067247 204 C s 3122 0.064638 209 C s 3182 -0.062532 213 C s Vector 295 Occ=2.000000D+00 E=-8.690821D-01 MO Center= 4.3D-01, -1.1D-01, -8.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3167 0.069165 212 C s 3002 -0.063399 201 C s Vector 296 Occ=2.000000D+00 E=-8.617446D-01 MO Center= -2.1D-02, -1.5D-01, 7.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 557 0.075402 38 C s 1982 -0.068098 133 C s 2627 -0.068283 176 C s Vector 297 Occ=2.000000D+00 E=-8.615627D-01 MO Center= 1.7D-01, 1.0D-01, 7.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 842 0.075872 57 C s 1997 0.075203 134 C s Vector 298 Occ=2.000000D+00 E=-8.607469D-01 MO Center= 6.7D-02, 5.3D-02, 2.2D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2912 0.068007 195 C s 2267 0.066071 152 C s 1322 0.065236 89 C s 3272 -0.064526 219 C s 2477 -0.062717 166 C s Vector 299 Occ=2.000000D+00 E=-8.602144D-01 MO Center= -7.7D-02, 1.0D-01, 2.1D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1007 0.067079 68 C s 3212 -0.062767 215 C s 1127 -0.062022 76 C s 3032 0.060651 203 C s Vector 300 Occ=2.000000D+00 E=-8.582100D-01 MO Center= -6.8D-03, 1.8D-02, 7.2D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2552 0.063223 171 C s 2972 0.062892 199 C s 2537 -0.060894 170 C s 17 0.060434 2 C s 1427 0.059380 96 C s 2327 -0.059620 156 C s Vector 301 Occ=2.000000D+00 E=-8.572972D-01 MO Center= 1.9D-01, -1.3D-01, 5.0D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1202 0.078043 81 C s Vector 302 Occ=2.000000D+00 E=-8.570558D-01 MO Center= -3.1D-02, 2.2D-02, 2.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1757 0.069730 118 C s 227 0.065445 16 C s 587 -0.064857 40 C s 647 -0.063629 44 C s 782 -0.063712 53 C s 1907 0.063786 128 C s Vector 303 Occ=2.000000D+00 E=-8.568030D-01 MO Center= -9.2D-02, 2.6D-01, 1.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 467 -0.066156 32 C s 242 0.061595 17 C s 632 -0.059814 43 C s Vector 304 Occ=2.000000D+00 E=-8.566741D-01 MO Center= 2.8D-02, -2.3D-01, 3.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1277 0.075123 86 C s 1292 0.067827 87 C s Vector 305 Occ=2.000000D+00 E=-8.460693D-01 MO Center= 1.8D-02, -1.1D-01, -9.3D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1322 0.062490 89 C s 3542 -0.060527 237 C s 152 0.058674 11 C s 1247 -0.058758 84 C s 272 0.058137 19 C s Vector 306 Occ=2.000000D+00 E=-8.440114D-01 MO Center= -9.5D-02, -1.4D-01, -8.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2402 0.065384 161 C s 2627 0.058866 176 C s Vector 307 Occ=2.000000D+00 E=-8.438911D-01 MO Center= -9.5D-03, 2.6D-01, -7.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2537 0.066114 170 C s 2192 0.059858 147 C s Vector 308 Occ=2.000000D+00 E=-8.433983D-01 MO Center= -2.7D-01, 5.4D-03, -7.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2762 0.069838 185 C s 2942 0.068842 197 C s 3197 0.064729 214 C s 2297 0.064109 154 C s 2777 0.064360 186 C s Vector 309 Occ=2.000000D+00 E=-8.424969D-01 MO Center= 1.3D-01, -5.2D-02, -7.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2837 -0.064269 190 C s 1892 0.058840 127 C s 2612 -0.057946 175 C s Vector 310 Occ=2.000000D+00 E=-8.290824D-01 MO Center= 6.4D-02, 1.2D-01, 2.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 677 0.077799 46 C s 557 -0.070308 38 C s Vector 311 Occ=2.000000D+00 E=-8.286926D-01 MO Center= 4.7D-02, -2.8D-01, 5.0D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 572 0.084667 39 C s 842 -0.078649 57 C s Vector 312 Occ=2.000000D+00 E=-8.282104D-01 MO Center= -6.7D-02, 1.9D-01, 1.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1247 0.081891 84 C s Vector 313 Occ=2.000000D+00 E=-8.274541D-01 MO Center= 3.2D-02, 1.0D-01, -1.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3527 -0.072508 236 C s 857 -0.068548 58 C s 3347 0.068115 224 C s 692 0.067298 47 C s Vector 314 Occ=2.000000D+00 E=-8.263669D-01 MO Center= -1.2D-01, -3.0D-02, 8.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1127 0.078584 76 C s Vector 315 Occ=2.000000D+00 E=-8.257033D-01 MO Center= -1.5D-01, -1.1D-01, 2.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1727 0.071653 116 C s 362 0.070004 25 C s 1712 0.068592 115 C s Vector 316 Occ=2.000000D+00 E=-8.255568D-01 MO Center= 2.9D-01, 1.5D-01, 1.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1547 0.068137 104 C s 1892 -0.066967 127 C s 1922 0.067280 129 C s 452 0.064747 31 C s 1397 0.065065 94 C s 1472 -0.064637 99 C s 1667 -0.062655 112 C s Vector 317 Occ=2.000000D+00 E=-8.252924D-01 MO Center= 6.4D-03, 1.1D-01, 2.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1007 0.072015 68 C s Vector 318 Occ=2.000000D+00 E=-8.245779D-01 MO Center= 1.0D-01, -1.1D-01, 2.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 752 0.074114 51 C s 1187 0.068867 80 C s 1307 0.067772 88 C s Vector 319 Occ=2.000000D+00 E=-8.242123D-01 MO Center= -5.4D-02, -1.6D-01, 1.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 632 0.082648 43 C s Vector 320 Occ=2.000000D+00 E=-8.240957D-01 MO Center= 6.4D-02, 2.4D-01, 1.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 617 0.087578 42 C s Vector 321 Occ=2.000000D+00 E=-8.235938D-01 MO Center= -1.5D-02, -1.1D-01, -3.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2087 0.069078 140 C s Vector 322 Occ=2.000000D+00 E=-8.136224D-01 MO Center= -5.6D-02, -6.4D-02, -8.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3272 0.078009 219 C s 3092 0.074575 207 C s 3542 -0.074901 237 C s 3152 0.073735 211 C s Vector 323 Occ=2.000000D+00 E=-8.125220D-01 MO Center= 1.4D-01, 1.8D-01, -9.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3302 0.078461 221 C s 2972 0.074150 199 C s 2747 0.073754 184 C s Vector 324 Occ=2.000000D+00 E=-8.120175D-01 MO Center= -2.6D-01, -2.5D-01, -9.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3482 0.086870 233 C s 2237 0.083046 150 C s 2327 0.081645 156 C s Vector 325 Occ=2.000000D+00 E=-7.966943D-01 MO Center= 3.3D-03, 4.4D-02, 5.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1337 -0.083971 90 C s 872 -0.080844 59 C s 527 0.079318 36 C s 2042 0.077573 137 C s Vector 326 Occ=2.000000D+00 E=-7.962061D-01 MO Center= 9.2D-02, 7.4D-02, 5.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 227 0.063112 16 C s 3437 -0.058495 230 C s 1112 -0.057633 75 C s 1307 -0.056941 88 C s Vector 327 Occ=2.000000D+00 E=-7.956217D-01 MO Center= 7.3D-03, -8.8D-02, 2.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 692 -0.073050 47 C s 512 0.068256 35 C s 3347 0.067610 224 C s Vector 328 Occ=2.000000D+00 E=-7.955401D-01 MO Center= -9.2D-02, 1.3D-01, 5.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 857 0.074985 58 C s 1142 -0.075228 77 C s 242 0.070346 17 C s 542 -0.070075 37 C s 3407 0.069004 228 C s 3527 -0.068960 236 C s Vector 329 Occ=2.000000D+00 E=-7.943124D-01 MO Center= -1.1D-01, 1.7D-01, -1.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 77 0.079147 6 C s 152 0.078134 11 C s 3152 -0.077519 211 C s 557 0.074252 38 C s 3362 -0.073941 225 C s Vector 330 Occ=2.000000D+00 E=-7.939450D-01 MO Center= 2.3D-01, 6.6D-02, -4.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3092 0.084312 207 C s Vector 331 Occ=2.000000D+00 E=-7.937416D-01 MO Center= 2.4D-02, -3.8D-01, 3.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1247 0.086305 84 C s 3542 -0.081836 237 C s 1322 -0.078904 89 C s Vector 332 Occ=2.000000D+00 E=-7.924112D-01 MO Center= -6.6D-02, 1.5D-02, 1.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1682 0.077685 113 C s Vector 333 Occ=2.000000D+00 E=-7.921664D-01 MO Center= -1.9D-01, 3.5D-02, 2.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1877 0.069643 126 C s 257 0.069128 18 C s 2642 -0.064041 177 C s Vector 334 Occ=2.000000D+00 E=-7.916339D-01 MO Center= 1.1D-01, 1.0D-01, 4.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1697 -0.072426 114 C s 1412 0.071778 95 C s Vector 335 Occ=2.000000D+00 E=-7.910579D-01 MO Center= 2.8D-01, 2.6D-02, -1.5D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2087 0.086749 140 C s Vector 336 Occ=2.000000D+00 E=-7.893148D-01 MO Center= 3.2D-02, -2.5D-02, 6.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1277 -0.080818 86 C s 1172 0.078059 79 C s 812 0.073683 55 C s Vector 337 Occ=2.000000D+00 E=-7.890238D-01 MO Center= 3.1D-01, 6.0D-02, -9.3D-02, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2927 -0.083675 196 C s 1382 0.082032 93 C s 2942 0.081662 197 C s Vector 338 Occ=2.000000D+00 E=-7.886073D-01 MO Center= -3.8D-01, 2.9D-01, -2.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 347 0.071171 24 C s 1457 -0.071308 98 C s 2132 -0.070565 143 C s 2987 -0.068706 200 C s 2312 0.065746 155 C s Vector 339 Occ=2.000000D+00 E=-7.881548D-01 MO Center= 5.4D-01, 3.7D-01, -3.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2777 0.072927 186 C s 1442 0.071475 97 C s 2702 -0.070711 181 C s 2267 -0.069643 152 C s 947 -0.066133 64 C s 2717 -0.065710 182 C s Vector 340 Occ=2.000000D+00 E=-7.877959D-01 MO Center= -4.4D-01, -6.1D-01, -2.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2177 0.077980 146 C s 437 -0.073867 30 C s 782 0.071662 53 C s 2687 0.070334 180 C s Vector 341 Occ=2.000000D+00 E=-7.688894D-01 MO Center= 2.3D-01, -2.3D-02, -6.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2492 0.084112 167 C s 3137 -0.079937 210 C s 2567 -0.079488 172 C s 3437 0.078639 230 C s 2477 0.076600 166 C s Vector 342 Occ=2.000000D+00 E=-7.685626D-01 MO Center= -3.0D-01, 8.7D-02, 1.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1637 0.071376 110 C s 122 0.069581 9 C s 1817 0.067647 122 C s Vector 343 Occ=2.000000D+00 E=-7.679809D-01 MO Center= -1.6D-01, 2.3D-01, -4.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3377 0.075575 226 C s 2282 -0.075050 153 C s 512 0.070354 35 C s 2357 0.069911 158 C s Vector 344 Occ=2.000000D+00 E=-7.674981D-01 MO Center= -1.5D-01, -3.7D-01, -1.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1367 0.074905 92 C s 3542 -0.074243 237 C s 2912 0.071181 195 C s 1247 -0.070492 84 C s Vector 345 Occ=2.000000D+00 E=-7.672837D-01 MO Center= -1.6D-01, 4.9D-01, -1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3332 0.095054 223 C s Vector 346 Occ=2.000000D+00 E=-7.670036D-01 MO Center= -1.6D-01, -4.4D-01, -8.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3227 -0.081361 216 C s 3497 0.080986 234 C s 3182 0.076989 213 C s Vector 347 Occ=2.000000D+00 E=-7.664953D-01 MO Center= -7.8D-02, -1.2D-02, -4.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3032 0.074571 203 C s Vector 348 Occ=2.000000D+00 E=-7.660965D-01 MO Center= 2.0D-01, 1.4D-01, -3.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3062 0.076228 205 C s 2882 0.074140 193 C s 3392 -0.069731 227 C s Vector 349 Occ=2.000000D+00 E=-7.659648D-01 MO Center= -1.8D-01, 5.0D-02, -6.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3212 -0.074386 215 C s 2672 0.073866 179 C s 2957 0.073049 198 C s 1037 0.068378 70 C s Vector 350 Occ=2.000000D+00 E=-7.655591D-01 MO Center= 2.2D-01, -3.0D-01, -3.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2222 -0.084457 149 C s 2237 0.078302 150 C s 647 0.077013 44 C s Vector 351 Occ=2.000000D+00 E=-7.653693D-01 MO Center= 1.6D-01, -2.2D-01, 2.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 407 0.074046 28 C s 3077 0.072817 206 C s 992 0.067150 67 C s Vector 352 Occ=2.000000D+00 E=-7.589322D-01 MO Center= 2.6D-02, -1.2D-01, 4.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1487 0.071017 100 C s Vector 353 Occ=2.000000D+00 E=-7.581700D-01 MO Center= 2.1D-01, 2.4D-01, 1.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2867 0.089601 192 C s 1022 0.083437 69 C s Vector 354 Occ=2.000000D+00 E=-7.574717D-01 MO Center= -7.0D-01, -1.5D-01, -6.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2132 0.086014 143 C s Vector 355 Occ=2.000000D+00 E=-7.570813D-01 MO Center= 5.1D-01, 2.2D-02, -3.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2072 0.078556 139 C s 2657 -0.076536 178 C s Vector 356 Occ=2.000000D+00 E=-7.349186D-01 MO Center= 1.1D-01, 1.0D-01, 1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1832 0.056594 123 C s 1652 0.053886 111 C s 422 0.052666 29 C s 1562 0.052453 105 C s 572 0.051130 39 C s Vector 357 Occ=2.000000D+00 E=-7.337201D-01 MO Center= -1.2D-01, 4.1D-01, 3.9D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1592 -0.065930 107 C s 1596 -0.064830 107 C s 257 0.064334 18 C s 261 0.061043 18 C s 2597 0.060569 174 C s Vector 358 Occ=2.000000D+00 E=-7.336797D-01 MO Center= -9.3D-02, -2.8D-01, -3.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1772 0.075836 119 C s 2447 -0.075180 164 C s 1776 0.074728 119 C s 1967 -0.073681 132 C s 2451 -0.069062 164 C s Vector 359 Occ=2.000000D+00 E=-7.329763D-01 MO Center= 1.7D-01, 2.5D-01, -5.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2672 -0.073323 179 C s 2582 0.071569 173 C s 2586 0.067136 173 C s 2676 -0.067030 179 C s Vector 360 Occ=2.000000D+00 E=-7.322286D-01 MO Center= -6.0D-01, -4.4D-01, -4.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1682 0.066104 113 C s 2432 -0.063969 163 C s 1686 0.062820 113 C s 2132 -0.061830 143 C s Vector 361 Occ=2.000000D+00 E=-7.318558D-01 MO Center= 3.7D-01, -1.3D-01, -4.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1862 0.067733 125 C s 2657 -0.066336 178 C s 1866 0.065262 125 C s 3407 0.065152 228 C s 2852 -0.064208 191 C s 2661 -0.061872 178 C s 2072 -0.061344 139 C s Vector 362 Occ=2.000000D+00 E=-7.252380D-01 MO Center= -1.6D-01, 5.6D-01, -8.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3469 -0.057351 232 C py 3408 0.055955 228 C px 3362 0.055304 225 C s 3302 0.053726 221 C s 3528 -0.053626 236 C px 2792 -0.052504 187 C s 452 -0.052157 31 C s 3349 0.051765 224 C py Vector 363 Occ=2.000000D+00 E=-7.244191D-01 MO Center= 1.9D-01, -3.0D-01, -1.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3317 0.056274 222 C s 2552 -0.055932 171 C s 1082 -0.055469 73 C s 77 0.052390 6 C s 484 -0.051387 33 C py Vector 364 Occ=2.000000D+00 E=-7.237682D-01 MO Center= -1.7D-01, -2.9D-01, 1.5D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 0.052072 2 C s 3377 0.050403 226 C s 752 -0.049705 51 C s 183 -0.049309 13 C px 782 0.048582 53 C s 1262 0.048219 85 C s 1472 0.047818 99 C s 2537 -0.047575 170 C s Vector 365 Occ=2.000000D+00 E=-7.188561D-01 MO Center= -2.0D-01, 7.8D-01, 1.6D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 242 0.075082 17 C s 497 -0.068435 34 C s Vector 366 Occ=2.000000D+00 E=-7.170774D-01 MO Center= -8.8D-02, 2.4D-01, 1.4D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 227 0.065994 16 C s 137 0.062119 10 C s 514 -0.060571 35 C py Vector 367 Occ=2.000000D+00 E=-7.164929D-01 MO Center= 6.1D-01, -5.7D-01, 1.2D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 844 0.068394 57 C py 1009 -0.066974 68 C py 1202 0.067013 81 C s 827 0.065259 56 C s Vector 368 Occ=2.000000D+00 E=-7.151371D-01 MO Center= 1.4D-01, -3.7D-01, 1.1D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 902 0.063542 61 C s 932 -0.062402 63 C s 1232 0.062253 83 C s Vector 369 Occ=2.000000D+00 E=-7.139993D-01 MO Center= -1.6D-01, -2.1D-02, 4.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2297 -0.055786 154 C s 467 0.054409 32 C s 2732 -0.053959 183 C s 962 0.051522 65 C s 2104 -0.051762 141 C py 2614 -0.051003 175 C py Vector 370 Occ=2.000000D+00 E=-6.966352D-01 MO Center= 1.1D-02, 1.0D+00, 1.3D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1506 0.073636 101 C s 546 0.071153 37 C s 876 -0.069095 59 C s 381 -0.068254 26 C s 291 -0.066315 20 C s Vector 371 Occ=2.000000D+00 E=-6.965958D-01 MO Center= 1.3D+00, -3.8D-01, 1.2D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1416 0.076630 95 C s 1412 0.072689 95 C s 1776 -0.070276 119 C s 861 -0.069450 58 C s Vector 372 Occ=2.000000D+00 E=-6.956354D-01 MO Center= -1.3D+00, -8.0D-01, 6.0D-02, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 261 0.075322 18 C s 257 0.071914 18 C s 1686 -0.068982 113 C s Vector 373 Occ=2.000000D+00 E=-6.934104D-01 MO Center= -4.7D-02, 3.3D-01, 3.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1221 0.058694 82 C s 396 0.058370 27 C s 711 0.057264 48 C s 831 -0.055932 56 C s 591 0.055278 40 C s 216 0.054330 15 C s 3516 -0.053938 235 C s 1206 0.052933 81 C s Vector 374 Occ=2.000000D+00 E=-6.928629D-01 MO Center= -9.2D-02, 6.3D-01, -8.6D-02, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 141 0.072379 10 C s Vector 375 Occ=2.000000D+00 E=-6.919904D-01 MO Center= -3.9D-02, -1.3D-01, -1.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1911 0.066958 128 C s 3107 0.063880 208 C s 711 0.062915 48 C s Vector 376 Occ=2.000000D+00 E=-6.919307D-01 MO Center= 1.5D-01, -2.1D-01, -2.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 906 0.073746 61 C s Vector 377 Occ=2.000000D+00 E=-6.913905D-01 MO Center= -9.9D-02, 1.3D-01, 3.5D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 351 0.080974 24 C s 347 0.075886 24 C s Vector 378 Occ=2.000000D+00 E=-6.908744D-01 MO Center= 4.1D-02, 5.0D-01, -7.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 456 0.076327 31 C s 2777 0.068944 186 C s Vector 379 Occ=2.000000D+00 E=-6.905185D-01 MO Center= -8.5D-02, -8.4D-03, -9.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1071 0.070822 72 C s 2987 0.063827 200 C s 3527 0.064097 236 C s Vector 380 Occ=2.000000D+00 E=-6.900763D-01 MO Center= 5.5D-01, 6.0D-01, 3.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2642 -0.068262 177 C s 2646 -0.068353 177 C s 2567 0.064816 172 C s 2571 0.062680 172 C s Vector 381 Occ=2.000000D+00 E=-6.898105D-01 MO Center= -2.3D-01, -9.1D-01, -4.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 606 0.070334 41 C s 602 0.067087 41 C s Vector 382 Occ=2.000000D+00 E=-6.893067D-01 MO Center= 2.5D-01, 1.4D-01, 2.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 276 0.068935 19 C s 1011 0.068271 68 C s 1007 0.066525 68 C s 1204 0.062152 81 C py 3096 -0.062206 207 C s Vector 383 Occ=2.000000D+00 E=-6.885756D-01 MO Center= -1.0D-01, 1.6D-01, 5.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 621 0.070492 42 C s 576 -0.070132 39 C s 77 0.064500 6 C s 81 0.063706 6 C s Vector 384 Occ=2.000000D+00 E=-6.883476D-01 MO Center= -3.4D-01, -3.9D-01, 1.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 681 0.065862 46 C s Vector 385 Occ=2.000000D+00 E=-6.875723D-01 MO Center= 1.9D-01, 6.8D-02, 1.5D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1431 0.070022 96 C s 426 0.069325 29 C s 422 0.068145 29 C s 1427 0.065479 96 C s Vector 386 Occ=2.000000D+00 E=-6.863039D-01 MO Center= 7.6D-02, -8.7D-02, -5.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2616 -0.064073 175 C s 1566 0.059296 105 C s 2091 0.058989 140 C s 3047 0.058346 204 C s 2612 -0.058024 175 C s Vector 387 Occ=2.000000D+00 E=-6.856421D-01 MO Center= -4.0D-02, -2.2D-01, -5.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1806 0.064541 121 C s Vector 388 Occ=2.000000D+00 E=-6.816486D-01 MO Center= 5.1D-01, -2.8D-02, -6.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3032 0.070092 203 C s 3036 0.066713 203 C s 3291 0.064004 220 C s Vector 389 Occ=2.000000D+00 E=-6.810484D-01 MO Center= -7.1D-01, -8.2D-02, -9.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3212 0.073414 215 C s 3216 0.068745 215 C s Vector 390 Occ=2.000000D+00 E=-6.781819D-01 MO Center= -1.6D-01, 6.7D-01, -2.2D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2972 0.070325 199 C s 3408 -0.068931 228 C px 2976 0.068503 199 C s 3469 0.068498 232 C py 3528 0.066652 236 C px 2957 0.065489 198 C s Vector 391 Occ=2.000000D+00 E=-6.773072D-01 MO Center= -2.3D-02, -6.7D-01, -7.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2237 0.068983 150 C s 2241 0.065990 150 C s 2433 -0.064189 163 C px Vector 392 Occ=2.000000D+00 E=-6.770404D-01 MO Center= -7.9D-02, -1.8D-01, -5.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2087 0.067998 140 C s 2091 0.064705 140 C s 2826 -0.064034 189 C s 2421 -0.062239 162 C s Vector 393 Occ=2.000000D+00 E=-6.518609D-01 MO Center= 4.1D-02, -4.1D-02, -1.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 516 -0.076088 35 C s 216 0.074295 15 C s 3381 -0.071104 226 C s 3396 0.071139 227 C s Vector 394 Occ=2.000000D+00 E=-6.508081D-01 MO Center= -9.0D-03, 1.6D-01, -2.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 246 0.076534 17 C s 411 0.075349 28 C s 501 -0.073911 34 C s 3066 -0.074260 205 C s 3111 0.074041 208 C s Vector 395 Occ=2.000000D+00 E=-6.501694D-01 MO Center= 4.6D-02, -5.2D-02, -1.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 606 0.071168 41 C s 276 -0.064567 19 C s 1911 -0.064661 128 C s Vector 396 Occ=2.000000D+00 E=-6.491682D-01 MO Center= 7.9D-02, -3.0D-01, -2.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1086 0.072152 73 C s 2196 -0.071024 147 C s 366 0.068989 25 C s 1071 -0.068887 72 C s 1536 -0.066475 103 C s 126 -0.065021 9 C s Vector 397 Occ=2.000000D+00 E=-6.490344D-01 MO Center= -4.1D-02, 5.2D-03, -2.1D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3486 -0.072731 233 C s 1011 0.068657 68 C s 1236 0.067585 83 C s 1281 0.067663 86 C s Vector 398 Occ=2.000000D+00 E=-6.486331D-01 MO Center= -1.3D-01, 1.2D-01, -1.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 471 0.073985 32 C s 2361 -0.072357 158 C s 1941 0.068262 130 C s Vector 399 Occ=2.000000D+00 E=-6.483228D-01 MO Center= -4.1D-02, -1.6D-02, 9.3D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3546 0.067442 237 C s 816 -0.066021 55 C s 3186 -0.066255 213 C s 2211 -0.064705 148 C s 3501 0.063758 234 C s 1056 0.062302 71 C s 1326 -0.061887 89 C s 756 0.060827 51 C s Vector 400 Occ=2.000000D+00 E=-6.451266D-01 MO Center= 5.5D-01, -9.3D-02, 7.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 546 0.088603 37 C s 1776 0.084720 119 C s Vector 401 Occ=2.000000D+00 E=-6.447633D-01 MO Center= 2.2D-01, -5.2D-01, 6.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 531 0.079088 36 C s 1206 0.072957 81 C s 1686 0.071675 113 C s Vector 402 Occ=2.000000D+00 E=-6.445719D-01 MO Center= 4.7D-01, 9.0D-02, 1.8D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1506 0.092781 101 C s Vector 403 Occ=2.000000D+00 E=-6.439911D-01 MO Center= -7.4D-01, 4.7D-01, 1.4D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1596 0.097267 107 C s Vector 404 Occ=2.000000D+00 E=-6.433536D-01 MO Center= -3.8D-03, 2.3D-01, 1.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2046 0.076761 137 C s 996 0.072690 67 C s 1146 0.072904 77 C s 2886 0.070005 193 C s Vector 405 Occ=2.000000D+00 E=-6.407630D-01 MO Center= -3.1D-01, 9.2D-01, 1.5D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 186 0.083489 13 C s 321 0.077435 22 C s 261 -0.076694 18 C s Vector 406 Occ=2.000000D+00 E=-6.406151D-01 MO Center= 1.1D+00, 9.4D-01, 1.5D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 891 -0.092911 60 C s 381 0.091877 26 C s Vector 407 Occ=2.000000D+00 E=-6.400676D-01 MO Center= 3.5D-01, -3.5D-01, -2.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1416 0.088789 95 C s Vector 408 Occ=2.000000D+00 E=-6.398950D-01 MO Center= 5.5D-01, -1.5D+00, -5.3D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2586 -0.098078 173 C s 2376 0.095214 159 C s Vector 409 Occ=2.000000D+00 E=-6.389760D-01 MO Center= -2.0D+00, 1.9D-01, -4.4D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2061 0.103546 138 C s Vector 410 Occ=2.000000D+00 E=-6.365560D-01 MO Center= -1.1D-01, 1.7D+00, -1.1D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2811 0.099887 188 C s Vector 411 Occ=2.000000D+00 E=-6.362116D-01 MO Center= 1.6D+00, -7.3D-01, -1.2D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2601 0.102368 174 C s Vector 412 Occ=2.000000D+00 E=-6.356507D-01 MO Center= -1.5D+00, -1.0D+00, -1.2D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2076 0.110533 139 C s Vector 413 Occ=2.000000D+00 E=-6.351564D-01 MO Center= 7.5D-04, -2.0D-01, -2.6D+00, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3531 0.091770 236 C s 2151 -0.088500 144 C s 2147 -0.082676 144 C s Vector 414 Occ=2.000000D+00 E=-6.180637D-01 MO Center= 4.8D-02, 7.5D-02, 1.8D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1293 0.052225 87 C px 1308 -0.051586 88 C px 514 0.050143 35 C py 1219 0.050131 82 C py 1353 -0.048255 91 C px Vector 415 Occ=2.000000D+00 E=-6.101514D-01 MO Center= -5.2D-02, 3.5D-02, -1.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 216 0.072513 15 C s 231 0.071861 16 C s 591 0.070435 40 C s 3396 -0.068710 227 C s 1296 0.066591 87 C s 3576 -0.066608 239 C s 3441 -0.065931 230 C s Vector 416 Occ=2.000000D+00 E=-6.083345D-01 MO Center= 4.3D-02, -4.4D-02, -9.6D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 741 0.077461 50 C s 2781 -0.070372 186 C s Vector 417 Occ=2.000000D+00 E=-6.079827D-01 MO Center= -2.0D-02, 7.1D-02, -8.0D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1386 0.083695 93 C s 2211 0.077584 148 C s 2931 -0.076608 196 C s Vector 418 Occ=2.000000D+00 E=-6.076627D-01 MO Center= -5.4D-03, -4.4D-02, -1.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3591 -0.084067 240 C s 876 0.076845 59 C s Vector 419 Occ=2.000000D+00 E=-6.075865D-01 MO Center= 5.2D-02, 8.2D-03, -1.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3486 0.087860 233 C s 1101 0.083883 74 C s 141 0.082601 10 C s 846 -0.082574 57 C s Vector 420 Occ=2.000000D+00 E=-6.069561D-01 MO Center= 3.3D-02, 1.1D-03, -6.3D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 21 0.080073 2 C s 591 -0.078699 40 C s 501 -0.077154 34 C s 3364 -0.077062 225 C py 2541 -0.075651 170 C s 3456 0.075536 231 C s 559 -0.072748 38 C py 3381 -0.072145 226 C s Vector 421 Occ=2.000000D+00 E=-6.061528D-01 MO Center= -2.2D-02, -1.8D-03, -1.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 201 0.079815 14 C s 2706 -0.073312 181 C s Vector 422 Occ=2.000000D+00 E=-6.059383D-01 MO Center= -3.8D-02, -7.0D-03, -1.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3576 -0.087724 239 C s 1296 0.085978 87 C s 3561 0.082963 238 C s 1236 -0.080268 83 C s Vector 423 Occ=2.000000D+00 E=-6.054358D-01 MO Center= 6.8D-03, -7.1D-02, -1.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2286 -0.096149 153 C s 936 0.093818 63 C s Vector 424 Occ=2.000000D+00 E=-6.047234D-01 MO Center= -1.1D-02, 4.8D-04, -9.9D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3291 -0.079240 220 C s 1281 0.076401 86 C s 3261 -0.076752 218 C s 1176 -0.075354 79 C s 2706 0.073027 181 C s Vector 425 Occ=2.000000D+00 E=-6.036637D-01 MO Center= -3.1D-02, 2.5D-02, -2.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2301 -0.087475 154 C s 471 0.082153 32 C s 1401 0.081610 94 C s 801 -0.080071 54 C s 1911 0.079281 128 C s Vector 426 Occ=2.000000D+00 E=-6.035606D-01 MO Center= -5.9D-02, -4.8D-02, -2.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 366 0.085254 25 C s 1731 -0.082720 116 C s 1671 -0.078841 112 C s Vector 427 Occ=2.000000D+00 E=-5.943357D-01 MO Center= -4.2D-02, 7.9D-02, 7.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1353 0.067162 91 C px 1429 -0.063751 96 C py 1413 -0.063136 95 C px 1083 0.062618 73 C px 1578 0.061176 106 C px Vector 428 Occ=2.000000D+00 E=-5.934325D-01 MO Center= 4.4D-01, 1.7D-01, -8.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3379 0.067443 226 C py 514 0.065664 35 C py 3573 0.065742 239 C px 1293 0.061652 87 C px 3438 0.061726 230 C px Vector 429 Occ=2.000000D+00 E=-5.927269D-01 MO Center= -3.3D-01, -1.8D-01, 5.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 919 0.062643 62 C py 979 -0.062138 66 C py 1925 0.058911 129 C pz 1008 0.058139 68 C px Vector 430 Occ=2.000000D+00 E=-5.838876D-01 MO Center= 1.9D-01, -6.4D-01, 1.7D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 528 0.105305 36 C px Vector 431 Occ=2.000000D+00 E=-5.832121D-01 MO Center= 1.9D-02, 5.6D-01, 1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 873 0.076195 59 C px 1518 -0.075521 102 C px 1594 -0.074960 107 C py 1503 0.069160 101 C px Vector 432 Occ=2.000000D+00 E=-5.813439D-01 MO Center= 1.4D-01, 1.9D-01, 2.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 168 0.085226 12 C px 2463 0.077721 165 C px Vector 433 Occ=2.000000D+00 E=-5.805838D-01 MO Center= 3.3D-01, 1.3D-01, 2.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 994 0.089840 67 C py Vector 434 Occ=2.000000D+00 E=-5.736909D-01 MO Center= -4.3D-01, 7.2D-01, 4.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3409 0.079387 228 C py 3591 -0.075849 240 C s 3291 -0.073008 220 C s 153 0.072583 11 C px 681 -0.072042 46 C s 1251 0.071468 84 C s Vector 435 Occ=2.000000D+00 E=-5.732113D-01 MO Center= -4.9D-02, 3.1D-01, -3.6D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3468 -0.085485 232 C px 696 0.078380 47 C s Vector 436 Occ=2.000000D+00 E=-5.729775D-01 MO Center= -4.0D-01, -4.3D-01, 1.4D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1626 0.080606 109 C s 1431 -0.075963 96 C s Vector 437 Occ=2.000000D+00 E=-5.720315D-01 MO Center= 5.0D-01, -5.0D-01, 1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1776 -0.085422 119 C s 1009 0.077863 68 C py 1926 -0.076959 129 C s Vector 438 Occ=2.000000D+00 E=-5.715626D-01 MO Center= 5.1D-02, -1.2D-01, -8.1D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1701 0.078009 114 C s 1143 0.072332 77 C px 1866 -0.072111 125 C s Vector 439 Occ=2.000000D+00 E=-5.701560D-01 MO Center= 2.4D-01, 1.0D-01, 2.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1011 0.077386 68 C s 276 0.071154 19 C s Vector 440 Occ=2.000000D+00 E=-5.687137D-01 MO Center= -5.1D-02, 6.4D-04, -5.8D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 543 0.083852 37 C px 3408 -0.082623 228 C px Vector 441 Occ=2.000000D+00 E=-5.660433D-01 MO Center= -3.5D-02, -1.7D-02, -1.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 351 0.081681 24 C s 306 0.074270 21 C s Vector 442 Occ=2.000000D+00 E=-5.655464D-01 MO Center= 8.7D-02, -4.5D-02, -1.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2571 0.090458 172 C s 141 0.085096 10 C s Vector 443 Occ=2.000000D+00 E=-5.648056D-01 MO Center= 4.0D-02, 1.1D-01, -4.2D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1371 -0.078159 92 C s 1056 0.075451 71 C s 2496 -0.075090 167 C s 96 -0.074369 7 C s 1116 0.074616 75 C s 36 0.073391 3 C s 2901 0.073077 194 C s Vector 444 Occ=2.000000D+00 E=-5.645284D-01 MO Center= 9.6D-04, -6.6D-02, 3.7D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1400 0.076289 94 C pz 1550 -0.071694 104 C pz 1431 0.070396 96 C s 1475 0.069141 99 C pz Vector 445 Occ=2.000000D+00 E=-5.640710D-01 MO Center= -3.4D-02, -1.0D-01, -7.3D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 636 0.091912 43 C s Vector 446 Occ=2.000000D+00 E=-5.635284D-01 MO Center= -5.0D-02, -2.8D-03, -6.4D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 936 0.087531 63 C s 2286 0.081270 153 C s Vector 447 Occ=2.000000D+00 E=-5.631982D-01 MO Center= -4.3D-01, 5.1D-02, -3.2D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3306 -0.070815 221 C s 1640 0.070234 110 C pz 470 0.069251 32 C pz 800 0.065952 54 C pz 2226 -0.066212 149 C s 2299 -0.064651 154 C py 2631 -0.064120 176 C s Vector 448 Occ=2.000000D+00 E=-5.624638D-01 MO Center= 2.9D-01, 9.3D-01, -1.9D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3426 0.106238 229 C s Vector 449 Occ=2.000000D+00 E=-5.619699D-01 MO Center= -5.7D-01, -4.7D-01, -1.4D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3366 -0.089426 225 C s 2106 0.088603 141 C s Vector 450 Occ=2.000000D+00 E=-5.616883D-01 MO Center= -8.0D-02, -9.1D-02, -4.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 456 0.080742 31 C s 2736 0.076062 183 C s 2931 0.072841 196 C s Vector 451 Occ=2.000000D+00 E=-5.614662D-01 MO Center= 1.8D-01, -5.2D-01, -9.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3546 -0.095262 237 C s 2406 0.094195 161 C s Vector 452 Occ=2.000000D+00 E=-5.550193D-01 MO Center= -6.6D-02, 9.0D-02, -1.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3379 -0.078854 226 C py 514 0.074864 35 C py 3546 0.073566 237 C s Vector 453 Occ=2.000000D+00 E=-5.537981D-01 MO Center= 2.0D-01, -1.5D-01, -9.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1806 -0.075249 121 C s 1986 -0.072507 133 C s 2495 -0.072129 167 C pz 964 0.068634 65 C py Vector 454 Occ=2.000000D+00 E=-5.535126D-01 MO Center= 9.5D-02, -1.1D-01, 4.0D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1083 0.077225 73 C px 1398 -0.076491 94 C px 2556 0.072151 171 C s 81 0.071386 6 C s Vector 455 Occ=2.000000D+00 E=-5.532281D-01 MO Center= -6.6D-02, -5.4D-02, 1.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2346 0.083553 157 C s 921 0.082817 62 C s Vector 456 Occ=2.000000D+00 E=-5.529243D-01 MO Center= -5.8D-02, 2.1D-01, -7.1D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1896 -0.075280 127 C s 2091 -0.071020 140 C s 904 0.069258 61 C py Vector 457 Occ=2.000000D+00 E=-5.352771D-01 MO Center= 1.2D-01, -1.0D-01, 4.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 876 -0.064270 59 C s 3531 0.064558 236 C s 1596 -0.063717 107 C s 861 0.063193 58 C s 1116 0.063424 75 C s 1461 0.062517 98 C s 1206 0.062023 81 C s 1611 0.062034 108 C s 2586 0.061954 173 C s 3591 -0.062212 240 C s Vector 458 Occ=2.000000D+00 E=-5.347053D-01 MO Center= 3.4D-02, 1.4D-01, 1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 816 0.071612 55 C s 3411 0.070982 228 C s 546 0.070405 37 C s Vector 459 Occ=2.000000D+00 E=-5.344878D-01 MO Center= -2.9D-02, -3.5D-02, 6.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 844 -0.068347 57 C py 186 -0.067435 13 C s 171 0.066518 12 C s 66 0.065421 5 C s 411 0.064835 28 C s 1370 -0.064794 92 C pz 949 -0.063769 64 C py 1476 -0.064004 99 C s 606 -0.063215 41 C s 1881 0.062077 126 C s Vector 460 Occ=2.000000D+00 E=-5.339043D-01 MO Center= 7.6D-03, 1.0D-01, 5.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 666 0.070831 45 C s 996 0.067481 67 C s 6 0.066171 1 C s 891 -0.065405 60 C s 1761 0.063864 118 C s Vector 461 Occ=2.000000D+00 E=-5.254260D-01 MO Center= -1.3D-01, 3.6D-02, 4.7D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 529 0.075358 36 C py 574 -0.075198 39 C py 3424 -0.072777 229 C py 3469 0.067975 232 C py Vector 462 Occ=2.000000D+00 E=-5.233056D-01 MO Center= -2.3D-01, 1.2D-02, 7.4D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1640 0.082986 110 C pz Vector 463 Occ=2.000000D+00 E=-5.229267D-01 MO Center= -2.1D-01, 3.3D-01, 7.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1670 -0.087137 112 C pz 769 0.084253 52 C py Vector 464 Occ=2.000000D+00 E=-5.225484D-01 MO Center= 9.1D-01, 2.4D-01, 9.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1806 0.078987 121 C s 199 -0.075701 14 C py 724 0.073620 49 C py 1926 0.073560 129 C s 65 0.072878 5 C pz 229 0.072518 16 C py 573 0.071600 39 C px 2840 0.071471 190 C pz Vector 465 Occ=2.000000D+00 E=-5.220741D-01 MO Center= 2.4D-01, -1.5D-01, 1.3D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1128 0.092327 76 C px 844 -0.087719 57 C py 1218 -0.085961 82 C px 1113 -0.084411 75 C px Vector 466 Occ=2.000000D+00 E=-5.219388D-01 MO Center= 2.1D-01, 8.1D-02, 2.5D-03, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1009 0.080014 68 C py 153 -0.072523 11 C px Vector 467 Occ=2.000000D+00 E=-5.215160D-01 MO Center= 2.6D-01, -1.8D-01, 9.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1174 0.102679 79 C py Vector 468 Occ=2.000000D+00 E=-5.209974D-01 MO Center= -3.9D-01, -3.8D-01, 9.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1311 0.082909 88 C s 513 0.080037 35 C px 1760 -0.078232 118 C pz 800 -0.077726 54 C pz 2090 0.076216 140 C pz Vector 469 Occ=2.000000D+00 E=-5.190212D-01 MO Center= -4.9D-02, 1.1D-01, 2.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 276 0.083791 19 C s 409 -0.083196 28 C py 303 0.075938 21 C px Vector 470 Occ=2.000000D+00 E=-5.183734D-01 MO Center= 1.3D-01, 1.4D-01, 1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1011 -0.091590 68 C s 904 0.090034 61 C py Vector 471 Occ=2.000000D+00 E=-5.180936D-01 MO Center= -3.4D-01, -1.0D-01, -4.3D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 726 0.078281 49 C s 213 0.072144 15 C px 365 0.071989 25 C pz 350 -0.070982 24 C pz 3468 0.071052 232 C px Vector 472 Occ=2.000000D+00 E=-5.179926D-01 MO Center= -1.5D-02, 1.1D-01, -1.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3409 0.090205 228 C py Vector 473 Occ=2.000000D+00 E=-5.174939D-01 MO Center= -3.2D-01, 3.3D-01, -1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3471 -0.085317 232 C s 531 0.083764 36 C s Vector 474 Occ=2.000000D+00 E=-5.169373D-01 MO Center= -1.4D-01, -7.3D-02, -3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3469 -0.084246 232 C py 1326 0.080758 89 C s Vector 475 Occ=2.000000D+00 E=-5.164230D-01 MO Center= 2.0D-01, 4.9D-01, -3.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2631 0.075464 176 C s 2749 0.072352 184 C py 2659 -0.071345 178 C py 65 -0.070238 5 C pz Vector 476 Occ=2.000000D+00 E=-5.163449D-01 MO Center= 2.4D-02, -8.9D-02, -4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3306 0.075870 221 C s Vector 477 Occ=2.000000D+00 E=-5.162263D-01 MO Center= -3.9D-02, -8.7D-02, -1.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2616 0.072687 175 C s 2421 0.068425 162 C s Vector 478 Occ=2.000000D+00 E=-5.160837D-01 MO Center= -1.9D-01, -4.7D-01, -3.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2106 0.094712 141 C s Vector 479 Occ=2.000000D+00 E=-5.147628D-01 MO Center= -7.9D-02, -1.3D-01, -1.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2388 0.094731 160 C px Vector 480 Occ=2.000000D+00 E=-5.143694D-01 MO Center= 1.9D-01, 4.7D-02, -8.1D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2599 0.086510 174 C py 1594 0.081211 107 C py Vector 481 Occ=2.000000D+00 E=-5.135784D-01 MO Center= -9.7D-02, -6.0D-02, -1.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2149 0.082104 144 C py 994 0.075145 67 C py Vector 482 Occ=2.000000D+00 E=-5.131112D-01 MO Center= 1.4D-01, 1.0D-01, -1.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1939 0.084764 130 C py 469 0.083520 32 C py 2704 0.080216 181 C py 1909 -0.079538 128 C py 2689 -0.079893 180 C py 2735 -0.079745 183 C pz 799 -0.078040 54 C py Vector 483 Occ=2.000000D+00 E=-5.128241D-01 MO Center= -2.2D-01, -1.3D-02, -2.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2284 -0.086300 153 C py 2269 0.084638 152 C py Vector 484 Occ=2.000000D+00 E=-5.121921D-01 MO Center= 2.2D-02, -1.8D-01, -1.7D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2478 0.081855 166 C px 3513 -0.081943 235 C px 3018 -0.075067 202 C px 3393 -0.073940 227 C px Vector 485 Occ=2.000000D+00 E=-5.121499D-01 MO Center= 9.6D-02, -6.8D-02, -1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3378 -0.077098 226 C px 2151 0.076174 144 C s 2178 0.071915 146 C px 3063 0.071963 205 C px 3454 -0.070831 231 C py Vector 486 Occ=2.000000D+00 E=-5.036289D-01 MO Center= 2.8D-03, 1.1D-01, 3.8D+00, r^2= 3.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 545 0.065960 37 C pz 530 0.065595 36 C pz 560 0.062180 38 C pz 575 0.062290 39 C pz 695 0.062058 47 C pz 860 0.060800 58 C pz 875 0.059630 59 C pz Vector 487 Occ=2.000000D+00 E=-4.970992D-01 MO Center= 8.8D-02, -8.1D-02, 2.0D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1789 0.067634 120 C py 94 0.062878 7 C py Vector 488 Occ=2.000000D+00 E=-4.960540D-01 MO Center= 3.3D-01, 5.0D-02, 2.1D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1878 0.064947 126 C px 634 0.063821 43 C py 768 0.062382 52 C px Vector 489 Occ=2.000000D+00 E=-4.940060D-01 MO Center= -1.5D-01, 9.3D-02, -3.1D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3590 0.104472 240 C pz 3350 0.103484 224 C pz 3410 0.103538 228 C pz 3470 0.103163 232 C pz 3530 0.102683 236 C pz Vector 490 Occ=2.000000D+00 E=-4.898762D-01 MO Center= -8.3D-02, 9.1D-02, 4.5D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3590 0.085177 240 C pz 3350 0.084104 224 C pz 3530 0.084446 236 C pz 3410 0.081448 228 C pz 3470 0.081343 232 C pz Vector 491 Occ=2.000000D+00 E=-4.874816D-01 MO Center= 2.0D-01, -3.4D-01, 1.1D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 544 0.065415 37 C py 1145 -0.064802 77 C pz Vector 492 Occ=2.000000D+00 E=-4.873360D-01 MO Center= -1.0D-01, 3.9D-01, 9.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 170 0.064912 12 C pz 1519 0.064793 102 C py 290 -0.063935 20 C pz 1504 0.063000 101 C py 154 0.061697 11 C py 1593 0.060115 107 C px 273 0.058514 19 C px Vector 493 Occ=2.000000D+00 E=-4.864426D-01 MO Center= -1.1D-02, 1.9D-01, -5.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3573 0.075307 239 C px 3318 -0.072871 222 C px 1985 0.071332 133 C pz 2420 -0.071026 162 C pz 2405 -0.070018 161 C pz 3424 -0.070007 229 C py 2000 0.069569 134 C pz Vector 494 Occ=2.000000D+00 E=-4.849844D-01 MO Center= -1.7D-01, 9.2D-02, -3.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2105 0.085351 141 C pz Vector 495 Occ=2.000000D+00 E=-4.846639D-01 MO Center= -2.5D-02, -1.1D-01, 1.3D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1040 0.079030 70 C pz Vector 496 Occ=2.000000D+00 E=-4.837909D-01 MO Center= -1.0D-01, 1.2D-01, 7.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1730 -0.080932 116 C pz 1670 -0.080314 112 C pz 1550 0.078652 104 C pz Vector 497 Occ=2.000000D+00 E=-4.837438D-01 MO Center= 2.5D-01, -3.1D-01, 6.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1640 0.096399 110 C pz 1580 0.091629 106 C pz Vector 498 Occ=2.000000D+00 E=-4.831431D-01 MO Center= -1.0D-02, 4.6D-01, 6.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 499 0.088947 34 C py Vector 499 Occ=2.000000D+00 E=-4.825515D-01 MO Center= 3.6D-01, 1.5D-01, 3.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3529 0.087263 236 C py 3588 -0.080126 240 C px Vector 500 Occ=2.000000D+00 E=-4.819561D-01 MO Center= -1.5D-02, -1.2D-01, 7.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 214 0.101868 15 C py 559 -0.098670 38 C py Vector 501 Occ=2.000000D+00 E=-4.817809D-01 MO Center= -5.4D-01, 6.8D-01, 5.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 50 -0.086262 4 C pz 35 0.083270 3 C pz 844 -0.078082 57 C py Vector 502 Occ=2.000000D+00 E=-4.814352D-01 MO Center= -8.8D-02, -4.4D-01, 8.0D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 588 0.077396 40 C px 513 0.075494 35 C px Vector 503 Occ=2.000000D+00 E=-4.811555D-01 MO Center= -3.3D-03, 9.9D-03, -1.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3018 0.078460 202 C px 2988 -0.077329 200 C px 1445 -0.070952 97 C pz Vector 504 Occ=2.000000D+00 E=-4.809637D-01 MO Center= 3.3D-01, 6.8D-02, 4.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 589 0.079718 40 C py 2253 -0.077434 151 C px 3438 0.072494 230 C px 244 0.072023 17 C py Vector 505 Occ=2.000000D+00 E=-4.807710D-01 MO Center= 5.4D-01, 5.3D-01, 5.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 303 0.092202 21 C px Vector 506 Occ=2.000000D+00 E=-4.801354D-01 MO Center= 7.7D-02, 2.0D-01, 6.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1308 -0.075214 88 C px 1204 -0.073880 81 C py 635 0.072786 43 C pz 1293 0.071885 87 C px 1009 0.068863 68 C py 1775 -0.068023 119 C pz 2299 0.068177 154 C py Vector 507 Occ=2.000000D+00 E=-4.799039D-01 MO Center= 1.6D-01, -5.2D-01, 9.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1234 0.088086 83 C py 904 0.087472 61 C py 1263 -0.083810 85 C px Vector 508 Occ=2.000000D+00 E=-4.797353D-01 MO Center= 7.7D-01, -4.4D-01, 1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1339 0.073657 90 C py 1413 -0.067571 95 C px Vector 509 Occ=2.000000D+00 E=-4.793788D-01 MO Center= -4.9D-01, -2.0D-01, 3.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2329 -0.078115 156 C py 770 0.075105 52 C pz 1128 -0.072215 76 C px Vector 510 Occ=2.000000D+00 E=-4.791921D-01 MO Center= -2.2D-01, -1.7D-01, 5.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1053 0.117580 71 C px 1368 -0.115044 92 C px Vector 511 Occ=2.000000D+00 E=-4.787881D-01 MO Center= -4.1D-01, 5.3D-01, 4.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1548 0.087472 104 C px 1578 -0.083377 106 C px Vector 512 Occ=2.000000D+00 E=-4.783811D-01 MO Center= -2.2D-01, -2.1D-03, -2.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 769 -0.108903 52 C py 439 0.107185 30 C py Vector 513 Occ=2.000000D+00 E=-4.782520D-01 MO Center= 5.1D-01, 2.9D-01, 2.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 633 0.080946 43 C px 2165 0.073087 145 C pz Vector 514 Occ=2.000000D+00 E=-4.779349D-01 MO Center= -2.5D-01, -7.9D-02, 2.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1728 0.074658 116 C px 2704 0.072943 181 C py 799 0.071326 54 C py 1759 0.069461 118 C py Vector 515 Occ=2.000000D+00 E=-4.746024D-01 MO Center= 2.6D-01, -2.4D-01, 1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3153 0.105108 211 C px 3094 0.097736 207 C py 1009 0.096726 68 C py Vector 516 Occ=2.000000D+00 E=-4.739499D-01 MO Center= 7.6D-02, -4.0D-01, -2.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 65 0.084828 5 C pz Vector 517 Occ=2.000000D+00 E=-4.737143D-01 MO Center= 6.7D-02, -1.5D-02, -1.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2166 -0.070692 145 C s 228 0.069669 16 C px 636 -0.067541 43 C s 3066 0.065896 205 C s 3381 -0.065651 226 C s 771 -0.065019 52 C s 1355 0.064810 91 C pz 2418 0.064714 162 C px 516 -0.064106 35 C s 1085 -0.064261 73 C pz Vector 518 Occ=2.000000D+00 E=-4.731449D-01 MO Center= -6.1D-03, 3.7D-01, -5.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1475 -0.084776 99 C pz 3588 0.083176 240 C px 1400 0.081490 94 C pz 3348 -0.081743 224 C px Vector 519 Occ=2.000000D+00 E=-4.731045D-01 MO Center= -1.2D-01, 1.0D-01, -3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3468 0.068848 232 C px 2403 -0.062104 161 C px Vector 520 Occ=2.000000D+00 E=-4.727990D-01 MO Center= -4.9D-02, -7.2D-02, -3.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3364 0.079714 225 C py 3379 -0.075419 226 C py Vector 521 Occ=2.000000D+00 E=-4.710526D-01 MO Center= -1.9D-01, 2.2D-01, 3.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 290 -0.065324 20 C pz 483 0.063635 33 C px 2345 -0.062856 157 C pz 184 0.060878 13 C py 258 0.059058 18 C px 379 0.058936 26 C py Vector 522 Occ=2.000000D+00 E=-4.708512D-01 MO Center= 3.6D-01, -2.2D-01, -6.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2299 -0.083934 154 C py 3484 -0.083328 233 C py 2104 0.076613 141 C py Vector 523 Occ=2.000000D+00 E=-4.703603D-01 MO Center= -6.2D-03, -1.9D-01, -5.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2928 0.091767 196 C px Vector 524 Occ=2.000000D+00 E=-4.698637D-01 MO Center= 4.3D-01, 6.2D-01, -1.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2793 0.070916 187 C px 2809 0.065057 188 C py Vector 525 Occ=2.000000D+00 E=-4.693649D-01 MO Center= -1.5D-01, -2.7D-01, -8.8D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1490 0.073719 100 C pz 1338 0.071473 90 C px Vector 526 Occ=2.000000D+00 E=-4.689273D-01 MO Center= -4.0D-01, -1.4D-01, 2.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1788 0.074078 120 C px 185 0.070555 13 C pz 1415 0.068749 95 C pz 2779 -0.067871 186 C py Vector 527 Occ=2.000000D+00 E=-4.685553D-01 MO Center= -1.4D-01, -1.2D-01, 4.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 994 0.093399 67 C py Vector 528 Occ=2.000000D+00 E=-4.681475D-01 MO Center= -4.6D-01, 1.6D-01, -1.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2913 -0.077083 195 C px 2898 0.075368 194 C px 1594 0.072086 107 C py 1879 0.071150 126 C py 2074 0.071278 139 C py 1683 -0.070609 113 C px Vector 529 Occ=2.000000D+00 E=-4.620043D-01 MO Center= 6.6D-02, -7.0D-02, 3.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3290 0.066787 220 C pz 1250 0.064771 84 C pz 1280 0.064542 86 C pz 1834 0.064731 123 C py 1819 0.063148 122 C py 3275 0.060242 219 C pz Vector 530 Occ=2.000000D+00 E=-4.617923D-01 MO Center= 4.0D-02, 3.5D-01, 7.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1549 0.079845 104 C py 1054 0.079434 71 C py 1369 0.079358 92 C py 1579 0.079346 106 C py Vector 531 Occ=2.000000D+00 E=-4.612724D-01 MO Center= -1.1D-01, -1.5D-01, 7.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 634 -0.065884 43 C py 245 0.064957 17 C pz 139 0.061652 10 C py 933 0.061316 63 C px 1729 -0.060482 116 C py 200 0.059573 14 C pz Vector 532 Occ=2.000000D+00 E=-4.606696D-01 MO Center= 2.7D-01, 3.7D-02, 6.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1938 0.065155 130 C px 1923 0.063680 129 C px 1008 -0.063155 68 C px 1908 0.062501 128 C px 830 -0.059643 56 C pz Vector 533 Occ=2.000000D+00 E=-4.603313D-01 MO Center= 3.0D-01, -3.4D-01, -4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3393 0.076202 227 C px 2945 -0.071173 197 C pz 2375 0.070587 159 C pz Vector 534 Occ=2.000000D+00 E=-4.600827D-01 MO Center= -4.7D-02, 2.8D-01, -2.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 529 0.080549 36 C py 858 0.072529 58 C px Vector 535 Occ=2.000000D+00 E=-4.595124D-01 MO Center= 3.8D-01, -1.6D-01, 1.4D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 678 -0.078602 46 C px 543 0.077790 37 C px 708 0.072576 48 C px 2704 0.072136 181 C py Vector 536 Occ=2.000000D+00 E=-4.591537D-01 MO Center= 8.8D-02, 3.6D-01, 3.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1580 0.067642 106 C pz 844 0.066995 57 C py 1713 0.066293 115 C px 1460 0.065803 98 C pz 1070 0.063602 72 C pz 1760 0.063010 118 C pz 1083 0.062590 73 C px 1474 0.062243 99 C py 1624 -0.062069 109 C py 2300 0.062054 154 C pz Vector 537 Occ=2.000000D+00 E=-4.582608D-01 MO Center= -2.8D-01, -4.1D-01, -7.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3498 0.087318 234 C px 3454 0.084927 231 C py 2253 0.080543 151 C px 3199 0.079805 214 C py Vector 538 Occ=2.000000D+00 E=-4.579455D-01 MO Center= -4.8D-01, 3.4D-01, -5.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3079 0.080442 206 C py 3573 0.076381 239 C px 498 -0.072908 34 C px 2060 0.072634 138 C pz Vector 539 Occ=2.000000D+00 E=-4.565425D-01 MO Center= -4.8D-02, 6.5D-01, 1.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 769 -0.082019 52 C py 439 0.074670 30 C py 1550 0.074274 104 C pz Vector 540 Occ=2.000000D+00 E=-4.556789D-01 MO Center= 4.2D-01, -8.1D-01, -1.8D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2568 0.086539 172 C px 934 0.078854 63 C py 2540 -0.077942 170 C pz 3259 -0.078108 218 C py Vector 541 Occ=2.000000D+00 E=-4.551578D-01 MO Center= 7.7D-02, -8.6D-02, -1.6D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3094 -0.078269 207 C py 3198 0.075757 214 C px 2254 0.074859 151 C py 2988 -0.073792 200 C px 3018 0.073124 202 C px 2240 0.071085 150 C pz Vector 542 Occ=2.000000D+00 E=-4.515244D-01 MO Center= 5.2D-01, -3.1D-01, -1.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1340 -0.073344 90 C pz 2840 -0.073125 190 C pz 1324 0.069629 89 C py 665 0.069115 45 C pz Vector 543 Occ=2.000000D+00 E=-4.513351D-01 MO Center= -1.1D-01, 4.6D-01, -4.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3470 -0.067302 232 C pz 545 0.066186 37 C pz 3410 -0.065249 228 C pz 530 0.064644 36 C pz Vector 544 Occ=2.000000D+00 E=-4.510066D-01 MO Center= 4.2D-02, 1.0D-01, -2.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1129 0.091417 76 C py Vector 545 Occ=2.000000D+00 E=-4.508209D-01 MO Center= -1.5D-01, -2.6D-01, -4.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1278 0.078003 86 C px 1715 -0.073990 115 C pz Vector 546 Occ=2.000000D+00 E=-4.502270D-01 MO Center= -4.2D-01, -3.1D-01, -3.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1744 -0.075022 117 C py 1713 0.071001 115 C px Vector 547 Occ=2.000000D+00 E=-4.499106D-01 MO Center= -4.1D-01, -9.2D-03, -2.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 35 0.074736 3 C pz Vector 548 Occ=2.000000D+00 E=-4.495437D-01 MO Center= -3.3D-02, 2.9D-02, -4.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2299 -0.080105 154 C py 2104 0.077919 141 C py Vector 549 Occ=2.000000D+00 E=-4.492206D-01 MO Center= 1.3D-02, 6.0D-03, -3.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2193 0.071262 147 C px 2823 -0.070022 189 C px Vector 550 Occ=2.000000D+00 E=-4.484988D-01 MO Center= -1.1D-01, -1.5D-01, -5.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3034 0.067189 203 C py 1758 0.065122 118 C px 3214 -0.065197 215 C py 1729 0.062943 116 C py 2164 0.062125 145 C py 2885 -0.062359 193 C pz 3094 0.061558 207 C py Vector 551 Occ=2.000000D+00 E=-4.482113D-01 MO Center= -2.8D-02, 1.9D-01, -4.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1578 0.065836 106 C px 3093 0.059694 207 C px Vector 552 Occ=2.000000D+00 E=-4.478992D-01 MO Center= -2.9D-01, 9.1D-03, -3.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2315 -0.072342 155 C pz 785 0.065780 53 C pz Vector 553 Occ=2.000000D+00 E=-4.431336D-01 MO Center= 1.0D-02, 3.9D-02, -4.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3365 -0.068811 225 C pz 2718 -0.063989 182 C px 560 0.063241 38 C pz Vector 554 Occ=2.000000D+00 E=-4.429678D-01 MO Center= -4.0D-02, -5.4D-02, -4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1758 0.069733 118 C px 634 -0.068958 43 C py 1729 0.067295 116 C py 3305 0.066008 221 C pz 3425 -0.063767 229 C pz 333 -0.062853 23 C px Vector 555 Occ=2.000000D+00 E=-4.420565D-01 MO Center= 1.9D-01, 1.6D-02, -7.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3138 0.062991 210 C px 935 -0.058677 63 C pz 335 0.057612 23 C pz 3229 -0.057267 216 C py 1324 -0.056816 89 C py 2253 0.056913 151 C px 3078 -0.056923 206 C px Vector 556 Occ=2.000000D+00 E=-4.418306D-01 MO Center= -1.5D-01, -3.2D-01, -8.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3258 0.073774 218 C px Vector 557 Occ=2.000000D+00 E=-4.385404D-01 MO Center= 1.3D-01, -2.3D-01, 1.7D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 499 0.083898 34 C py 1114 0.079689 75 C py 1310 -0.079954 88 C pz 814 0.077991 55 C py Vector 558 Occ=2.000000D+00 E=-4.382890D-01 MO Center= 2.2D-01, 4.0D-02, 1.8D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1173 0.085291 79 C px 393 0.077173 27 C px Vector 559 Occ=2.000000D+00 E=-4.370941D-01 MO Center= 2.1D-01, -1.4D-01, -1.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2525 0.077742 169 C pz Vector 560 Occ=2.000000D+00 E=-4.369149D-01 MO Center= -8.4D-02, 2.8D-01, 8.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2945 0.065113 197 C pz 1070 -0.063988 72 C pz 228 0.062869 16 C px 2285 -0.062834 153 C pz 93 0.061430 7 C px 2315 -0.061654 155 C pz 935 0.061040 63 C pz 2510 0.060985 168 C pz 3438 -0.059919 230 C px Vector 561 Occ=2.000000D+00 E=-4.363181D-01 MO Center= -3.9D-01, 4.5D-01, 4.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2359 -0.072759 158 C py 123 0.071549 9 C px 138 -0.069775 10 C px 2988 -0.067589 200 C px 3018 0.067307 202 C px Vector 562 Occ=2.000000D+00 E=-4.348513D-01 MO Center= -3.3D-02, 5.3D-03, 9.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 799 0.078017 54 C py 514 -0.073757 35 C py 228 0.070237 16 C px Vector 563 Occ=2.000000D+00 E=-4.343832D-01 MO Center= 1.2D-01, -1.1D-01, 9.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1219 0.093370 82 C py 1293 -0.085943 87 C px Vector 564 Occ=2.000000D+00 E=-4.335569D-01 MO Center= 1.3D-01, 2.4D-01, 5.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1939 0.090220 130 C py Vector 565 Occ=2.000000D+00 E=-4.334044D-01 MO Center= 6.8D-03, 2.9D-01, 3.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1578 -0.082176 106 C px 1548 0.078694 104 C px Vector 566 Occ=2.000000D+00 E=-4.308490D-01 MO Center= -3.4D-01, 2.1D-01, -1.2D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1505 -0.093998 101 C pz 1955 -0.093184 131 C pz 529 0.090890 36 C py 694 0.090854 47 C py 1535 0.087709 103 C pz 1685 0.088128 113 C pz Vector 567 Occ=2.000000D+00 E=-4.304883D-01 MO Center= -6.0D-03, 1.1D-01, 3.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 874 0.098848 59 C py Vector 568 Occ=2.000000D+00 E=-4.294238D-01 MO Center= 2.9D-01, -1.8D-01, -2.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 528 0.114725 36 C px Vector 569 Occ=2.000000D+00 E=-4.283840D-01 MO Center= -2.0D-01, -2.4D-01, 3.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1159 0.107475 78 C py Vector 570 Occ=2.000000D+00 E=-4.279660D-01 MO Center= 8.2D-02, 3.7D-01, 6.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 378 0.100619 26 C px 183 0.091587 13 C px 543 -0.091710 37 C px Vector 571 Occ=2.000000D+00 E=-4.277310D-01 MO Center= 5.1D-01, -4.2D-01, -3.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 693 0.080900 47 C px 859 0.080112 58 C py 873 -0.079404 59 C px 1413 -0.079510 95 C px 3123 -0.077397 209 C px 1353 0.072937 91 C px 3093 0.072843 207 C px Vector 572 Occ=2.000000D+00 E=-4.275724D-01 MO Center= 3.5D-01, -7.4D-02, 5.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 979 0.090930 66 C py 694 -0.082899 47 C py Vector 573 Occ=2.000000D+00 E=-4.271678D-01 MO Center= -2.3D-01, -8.7D-02, 2.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 545 0.077284 37 C pz 1023 -0.072210 69 C px Vector 574 Occ=2.000000D+00 E=-4.262858D-01 MO Center= -2.8D-01, -1.4D-01, -1.7D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3408 0.092962 228 C px 2420 -0.086367 162 C pz 3589 -0.086312 240 C py 2375 0.084704 159 C pz Vector 575 Occ=2.000000D+00 E=-4.259075D-01 MO Center= 1.5D-01, -2.9D-01, -2.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2450 0.097356 164 C pz Vector 576 Occ=2.000000D+00 E=-4.255163D-01 MO Center= 9.3D-02, -8.8D-03, -4.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2600 -0.083503 174 C pz 2135 -0.081347 143 C pz 1955 0.078689 131 C pz 3093 0.077350 207 C px Vector 577 Occ=2.000000D+00 E=-4.251006D-01 MO Center= 2.2D-01, 3.8D-01, -9.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2870 0.121657 192 C pz Vector 578 Occ=2.000000D+00 E=-4.245065D-01 MO Center= 1.6D-01, -1.5D-01, -8.6D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2465 0.083229 165 C pz Vector 579 Occ=2.000000D+00 E=-4.238165D-01 MO Center= 1.5D-02, -2.9D-01, -8.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2659 -0.100229 178 C py 2060 0.092763 138 C pz Vector 580 Occ=2.000000D+00 E=-4.233291D-01 MO Center= -4.9D-02, 2.1D-01, -7.6D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2869 0.087410 192 C py 2150 0.081138 144 C pz Vector 581 Occ=2.000000D+00 E=-4.215219D-01 MO Center= -2.7D-02, 1.2D+00, -8.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3468 0.118733 232 C px Vector 582 Occ=2.000000D+00 E=-4.201211D-01 MO Center= 3.6D-01, -1.3D+00, -1.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3348 0.095771 224 C px 3588 -0.093577 240 C px 1700 -0.088990 114 C pz 1775 -0.088220 119 C pz 1790 0.086613 120 C pz 3529 0.086797 236 C py Vector 583 Occ=2.000000D+00 E=-4.189835D-01 MO Center= 8.8D-01, 3.0D-01, 1.8D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 994 0.104594 67 C py Vector 584 Occ=2.000000D+00 E=-4.182137D-01 MO Center= -7.9D-01, 5.7D-02, -6.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2119 -0.088468 142 C py 484 0.088003 33 C py 1503 -0.085876 101 C px 1518 0.086163 102 C px 979 0.081344 66 C py Vector 585 Occ=2.000000D+00 E=-4.175912D-01 MO Center= -5.2D-01, 3.1D-02, -1.6D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2013 0.099286 135 C px 2973 -0.093631 199 C px 1879 0.092695 126 C py 2958 -0.090642 198 C px Vector 586 Occ=2.000000D+00 E=-4.163323D-01 MO Center= -1.5D+00, 8.7D-02, -8.3D-02, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1160 -0.072207 78 C pz 2285 -0.072442 153 C pz 1143 0.069900 77 C px 2090 -0.069794 140 C pz 2315 -0.070003 155 C pz 1700 0.068207 114 C pz Vector 587 Occ=2.000000D+00 E=-4.159101D-01 MO Center= 4.0D-01, 6.2D-01, -5.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1503 0.076255 101 C px 1518 -0.073023 102 C px Vector 588 Occ=2.000000D+00 E=-4.157061D-01 MO Center= 1.5D-01, -4.3D-01, -8.3D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 933 0.066196 63 C px 2179 0.065696 146 C py 94 0.062122 7 C py 2373 -0.061661 159 C px 334 0.061169 23 C py 2388 0.059680 160 C px Vector 589 Occ=2.000000D+00 E=-4.153794D-01 MO Center= 2.2D-01, -6.3D-01, 1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1474 0.075838 99 C py 1083 -0.074450 73 C px 1398 0.071716 94 C px Vector 590 Occ=2.000000D+00 E=-4.151353D-01 MO Center= 7.6D-02, 6.9D-01, 2.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 64 0.081436 5 C py 123 -0.076321 9 C px Vector 591 Occ=2.000000D+00 E=-4.136299D-01 MO Center= -1.9D-01, 1.5D-01, -7.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3560 0.068489 238 C pz 3320 -0.065745 222 C pz 3260 0.063449 218 C pz Vector 592 Occ=2.000000D+00 E=-4.134570D-01 MO Center= 3.2D-01, -2.7D-01, -7.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3440 0.074682 230 C pz Vector 593 Occ=2.000000D+00 E=-4.111773D-01 MO Center= 8.1D-01, -7.6D-01, -1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2568 -0.087385 172 C px 1788 0.085756 120 C px 1879 -0.085092 126 C py Vector 594 Occ=2.000000D+00 E=-4.103363D-01 MO Center= -4.6D-01, 1.9D-01, -6.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1594 0.085249 107 C py Vector 595 Occ=2.000000D+00 E=-4.089628D-01 MO Center= -3.2D-02, -2.6D-02, -1.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2238 -0.066215 150 C px 2735 0.064808 183 C pz 1940 -0.064329 130 C pz 350 0.062312 24 C pz 2930 -0.061412 196 C pz 365 -0.060299 25 C pz 1249 0.060336 84 C py 455 0.059886 31 C pz 875 -0.059766 59 C pz 1550 0.059896 104 C pz Vector 596 Occ=2.000000D+00 E=-4.085965D-01 MO Center= 6.6D-02, 1.2D-01, -1.0D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2090 0.067798 140 C pz 1580 -0.064090 106 C pz 2300 -0.064262 154 C pz 695 0.062892 47 C pz 950 -0.062178 64 C pz 679 -0.061537 46 C py 2945 0.061347 197 C pz 3500 -0.061045 234 C pz Vector 597 Occ=2.000000D+00 E=-4.084292D-01 MO Center= -3.2D-02, -3.0D-01, -1.5D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2149 0.096846 144 C py Vector 598 Occ=2.000000D+00 E=-4.075806D-01 MO Center= -1.4D-01, -1.2D-01, -1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3319 -0.066501 222 C py 3364 0.066688 225 C py 3484 -0.066182 233 C py 3004 0.065780 201 C py 3378 -0.063783 226 C px 3439 0.063990 230 C py Vector 599 Occ=2.000000D+00 E=-4.068281D-01 MO Center= 2.7D-02, 1.1D-01, -6.9D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2058 0.061274 138 C px 2884 -0.058480 193 C py 199 0.058149 14 C py 1668 -0.057037 112 C px 2464 0.057116 165 C py 1504 -0.055925 101 C py Vector 600 Occ=2.000000D+00 E=-4.060036D-01 MO Center= -3.2D-01, 1.2D-01, 1.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2269 -0.072841 152 C py 1130 0.071335 76 C pz 3214 -0.066203 215 C py Vector 601 Occ=2.000000D+00 E=-4.056189D-01 MO Center= -1.2D-01, -3.5D-01, 3.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1010 -0.067457 68 C pz 798 0.066716 54 C px 1203 -0.066996 81 C px 1113 0.065476 75 C px 2493 0.063923 167 C px 3228 -0.062952 216 C px 514 -0.060767 35 C py Vector 602 Occ=2.000000D+00 E=-4.041941D-01 MO Center= 1.1D-01, -1.4D-01, 5.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 288 0.085073 20 C px 993 -0.080642 67 C px Vector 603 Occ=2.000000D+00 E=-4.035037D-01 MO Center= -6.9D-02, -4.0D-02, -2.8D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1159 0.088358 78 C py 1700 -0.080822 114 C pz Vector 604 Occ=2.000000D+00 E=-4.021346D-01 MO Center= 1.3D-01, 1.5D-01, -1.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2075 0.087987 139 C pz 603 0.080691 41 C px 1865 0.080959 125 C pz Vector 605 Occ=2.000000D+00 E=-3.971545D-01 MO Center= -3.1D-01, 1.8D-02, 6.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 528 0.092264 36 C px 544 -0.091771 37 C py 1953 0.088010 131 C px 1788 0.084926 120 C px Vector 606 Occ=2.000000D+00 E=-3.965808D-01 MO Center= 1.5D-01, 1.1D-01, 6.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1338 0.094347 90 C px 168 0.089899 12 C px 1490 0.087403 100 C pz 2043 0.085288 137 C px Vector 607 Occ=2.000000D+00 E=-3.952040D-01 MO Center= 5.7D-02, -2.2D-01, 7.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1025 -0.090840 69 C pz 994 0.086100 67 C py Vector 608 Occ=2.000000D+00 E=-3.950022D-01 MO Center= -2.0D-01, 4.2D-01, 2.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 873 -0.095037 59 C px 693 0.087610 47 C px Vector 609 Occ=2.000000D+00 E=-3.896234D-01 MO Center= -2.0D-01, 7.5D-02, -3.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2328 0.060128 156 C px 2688 -0.056686 180 C px 2899 -0.055000 194 C py 3213 -0.054325 215 C px Vector 610 Occ=2.000000D+00 E=-3.886176D-01 MO Center= 6.6D-02, 1.6D-01, -6.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 49 0.067413 4 C py 1384 -0.065578 93 C py 2374 0.065460 159 C py 2989 -0.065063 200 C py 1834 -0.063649 123 C py Vector 611 Occ=2.000000D+00 E=-3.881323D-01 MO Center= 8.7D-02, -2.4D-01, -7.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 349 0.068621 24 C py 1714 -0.064080 115 C py 1069 -0.063382 72 C py Vector 612 Occ=2.000000D+00 E=-3.877692D-01 MO Center= -1.8D-01, 1.2D-01, -6.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3275 0.070230 219 C pz 783 -0.064887 53 C px 3545 0.064631 237 C pz Vector 613 Occ=2.000000D+00 E=-3.876973D-01 MO Center= 4.4D-01, -1.3D-01, -6.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1623 -0.068755 109 C px 948 0.066870 64 C px 1638 -0.064977 110 C px Vector 614 Occ=2.000000D+00 E=-3.849119D-01 MO Center= 7.4D-01, 2.0D-01, 7.5D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1925 0.083829 129 C pz 1940 -0.079090 130 C pz Vector 615 Occ=2.000000D+00 E=-3.841941D-01 MO Center= -4.7D-01, 1.6D-01, -3.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1670 0.090791 112 C pz 1655 -0.082958 111 C pz Vector 616 Occ=2.000000D+00 E=-3.831306D-01 MO Center= -6.1D-02, -3.7D-02, 1.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3545 -0.074477 237 C pz 155 0.071585 11 C pz 275 0.070975 19 C pz 875 0.071220 59 C pz 1325 -0.070077 89 C pz Vector 617 Occ=2.000000D+00 E=-3.828478D-01 MO Center= -8.0D-02, 1.1D-01, -2.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2148 -0.066064 144 C px 3275 -0.065534 219 C pz 1325 0.064758 89 C pz 2795 0.063445 187 C pz 590 0.061723 40 C pz Vector 618 Occ=2.000000D+00 E=-3.826006D-01 MO Center= -6.2D-02, -2.4D-01, 3.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 289 0.074997 20 C py 620 0.071767 42 C pz 1595 0.070034 107 C pz 425 0.069616 29 C pz 2180 -0.069815 146 C pz 2463 -0.067936 165 C px Vector 619 Occ=2.000000D+00 E=-3.818517D-01 MO Center= 2.1D-01, 3.5D-03, 3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 845 0.075685 57 C pz Vector 620 Occ=2.000000D+00 E=-3.815556D-01 MO Center= 4.6D-01, -3.4D-01, 7.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 874 0.097070 59 C py Vector 621 Occ=2.000000D+00 E=-3.813834D-01 MO Center= 8.0D-01, -5.7D-01, 8.4D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 843 0.090753 57 C px Vector 622 Occ=2.000000D+00 E=-3.805625D-01 MO Center= -8.8D-01, -1.7D-01, 5.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2149 -0.071281 144 C py 755 0.068685 51 C pz 2329 -0.067905 156 C py Vector 623 Occ=2.000000D+00 E=-3.801801D-01 MO Center= -2.5D-01, 3.1D-01, 5.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1743 0.068202 117 C px 784 0.067286 53 C py 543 0.066574 37 C px 183 0.065005 13 C px 558 -0.063911 38 C px 65 0.063116 5 C pz Vector 624 Occ=2.000000D+00 E=-3.796221D-01 MO Center= -2.4D-01, 8.0D-02, -2.5D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2763 0.073104 185 C px 2733 -0.071444 183 C px 740 0.070635 50 C pz 753 -0.069148 51 C px Vector 625 Occ=2.000000D+00 E=-3.792084D-01 MO Center= -1.9D-01, 1.2D-01, 3.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1399 0.073078 94 C py 1549 -0.072482 104 C py 1668 0.069843 112 C px 1579 -0.068413 106 C py 1849 -0.067317 124 C py Vector 626 Occ=2.000000D+00 E=-3.787516D-01 MO Center= -1.4D-01, 3.2D-01, 1.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1938 -0.084040 130 C px 798 0.079448 54 C px Vector 627 Occ=2.000000D+00 E=-3.784410D-01 MO Center= -7.2D-02, 2.2D-01, -3.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2718 0.079472 182 C px Vector 628 Occ=2.000000D+00 E=-3.783311D-01 MO Center= 2.3D-01, -3.7D-01, -3.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1864 0.063508 125 C py 394 0.062328 27 C py 2194 0.057951 147 C py 3230 0.057951 216 C pz 1773 -0.057629 119 C px Vector 629 Occ=2.000000D+00 E=-3.769917D-01 MO Center= -4.9D-01, 3.4D-01, -8.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1953 0.089434 131 C px Vector 630 Occ=2.000000D+00 E=-3.759974D-01 MO Center= -1.7D-01, -5.6D-01, -1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2059 0.095918 138 C py 2120 0.090953 142 C pz 2599 0.090529 174 C py 2074 -0.087195 139 C py Vector 631 Occ=2.000000D+00 E=-3.754536D-01 MO Center= 2.1D-01, 4.7D-01, -8.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2808 0.096432 188 C px Vector 632 Occ=2.000000D+00 E=-3.667504D-01 MO Center= -9.5D-01, 8.0D-01, 1.4D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 769 0.088915 52 C py 454 0.083478 31 C py Vector 633 Occ=2.000000D+00 E=-3.663899D-01 MO Center= 1.7D+00, 2.4D-01, 9.9D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1460 0.091729 98 C pz 965 0.090893 65 C pz 2630 0.083359 176 C pz Vector 634 Occ=2.000000D+00 E=-3.660108D-01 MO Center= 1.3D+00, -2.9D-02, -6.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 650 0.079296 44 C pz 2840 0.077730 190 C pz 934 -0.076743 63 C py 665 -0.076246 45 C pz 365 0.074823 25 C pz 979 -0.072829 66 C py Vector 635 Occ=2.000000D+00 E=-3.652359D-01 MO Center= -6.7D-01, -9.0D-01, 6.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1085 0.079563 73 C pz 2375 0.076676 159 C pz 1385 0.076211 93 C pz 2405 0.076366 161 C pz 1683 0.072703 113 C px Vector 636 Occ=2.000000D+00 E=-3.636280D-01 MO Center= -1.4D+00, -1.8D-01, -4.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3439 -0.081867 230 C py 3469 -0.077442 232 C py 3124 0.076580 209 C py Vector 637 Occ=2.000000D+00 E=-3.624628D-01 MO Center= 7.4D-01, 1.9D-01, -1.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3319 0.074000 222 C py 2689 0.067300 180 C py Vector 638 Occ=2.000000D+00 E=-3.608280D-01 MO Center= -1.4D-02, 3.3D-01, -2.3D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2119 0.101959 142 C py Vector 639 Occ=2.000000D+00 E=-3.601616D-01 MO Center= -1.3D-01, -9.3D-01, -2.0D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2478 0.093034 166 C px 2448 0.089738 164 C px Vector 640 Occ=2.000000D+00 E=-3.595198D-01 MO Center= -3.6D-03, 8.3D-03, 5.4D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2465 0.061707 165 C pz 2045 0.060490 137 C pz 530 0.060048 36 C pz 545 0.060264 37 C pz 2675 0.057153 179 C pz 170 0.056693 12 C pz 1340 0.056801 90 C pz 2150 0.056588 144 C pz Vector 641 Occ=2.000000D+00 E=-3.589102D-01 MO Center= 1.8D-02, -6.9D-02, -5.2D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 875 0.071419 59 C pz 2583 0.070003 173 C px 2389 -0.067935 160 C py 3590 0.066061 240 C pz Vector 642 Occ=2.000000D+00 E=-3.583743D-01 MO Center= -5.3D-02, 6.8D-02, -1.0D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2374 0.078640 159 C py Vector 643 Occ=2.000000D+00 E=-3.529637D-01 MO Center= -5.4D-01, -1.1D-01, 1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 709 0.064749 48 C py 528 0.061955 36 C px 828 -0.060845 56 C px 274 -0.060197 19 C py 1623 0.060251 109 C px 514 -0.059872 35 C py 499 0.059101 34 C py 1114 -0.058667 75 C py Vector 644 Occ=2.000000D+00 E=-3.518570D-01 MO Center= -1.4D-01, 1.6D-01, 2.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1579 0.069017 106 C py 3515 -0.065896 235 C pz 1849 -0.065292 124 C py 1084 0.063883 73 C py 1220 -0.062812 82 C pz 230 -0.062410 16 C pz 1638 -0.062702 110 C px Vector 645 Occ=2.000000D+00 E=-3.515989D-01 MO Center= -1.9D-01, 2.2D-01, 2.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2899 -0.078931 194 C py 453 0.075360 31 C px 830 -0.075318 56 C pz 1295 -0.072853 87 C pz Vector 646 Occ=2.000000D+00 E=-3.512154D-01 MO Center= -1.7D-01, -6.3D-03, -7.3D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1384 -0.070412 93 C py 34 0.067578 3 C py Vector 647 Occ=2.000000D+00 E=-3.509226D-01 MO Center= 8.6D-01, 7.8D-01, -6.4D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2750 0.081868 184 C pz Vector 648 Occ=2.000000D+00 E=-3.503965D-01 MO Center= 4.4D-01, -4.2D-01, -1.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 575 0.082249 39 C pz 3365 -0.081659 225 C pz 3425 0.081391 229 C pz 560 -0.074307 38 C pz Vector 649 Occ=2.000000D+00 E=-3.495377D-01 MO Center= -4.7D-02, 2.0D-01, -4.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2268 0.065700 152 C px 2914 -0.065046 195 C py 1369 -0.061605 92 C py 319 -0.060997 22 C py 2239 -0.060001 150 C py 64 0.059138 5 C py 2103 -0.059170 141 C px Vector 650 Occ=2.000000D+00 E=-3.487868D-01 MO Center= -2.8D-01, -3.8D-01, -3.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2164 0.075890 145 C py 2419 -0.069816 162 C py Vector 651 Occ=2.000000D+00 E=-3.465956D-01 MO Center= -8.1D-02, 1.8D-02, -1.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2674 -0.069081 179 C py 3064 -0.068033 205 C py 3109 -0.065427 208 C py 20 0.064994 2 C pz 3334 -0.064269 223 C py Vector 652 Occ=2.000000D+00 E=-3.454849D-01 MO Center= -1.9D-01, 9.6D-02, -1.8D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3185 0.078114 213 C pz 2165 -0.072461 145 C pz 2240 -0.071175 150 C pz Vector 653 Occ=2.000000D+00 E=-3.439203D-01 MO Center= 1.2D-02, 8.6D-02, 7.0D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 438 0.067225 30 C px 3004 0.064806 201 C py 933 0.063388 63 C px 1069 -0.061912 72 C py 1115 -0.060991 75 C pz Vector 654 Occ=2.000000D+00 E=-3.438484D-01 MO Center= 3.9D-01, 3.6D-02, 1.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1938 0.085091 130 C px 1399 -0.081202 94 C py 1579 -0.080497 106 C py 1549 -0.078517 104 C py 948 -0.077686 64 C px 1638 -0.076614 110 C px Vector 655 Occ=2.000000D+00 E=-3.433904D-01 MO Center= -2.8D-01, -6.2D-02, 9.4D-03, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 590 0.079396 40 C pz 783 -0.075294 53 C px 1759 0.073348 118 C py Vector 656 Occ=2.000000D+00 E=-3.433401D-01 MO Center= 1.4D-01, -1.7D-01, 2.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1369 0.077911 92 C py 3110 -0.073491 208 C pz 3200 -0.071981 214 C pz Vector 657 Occ=2.000000D+00 E=-3.424981D-01 MO Center= 2.3D-01, -4.5D-01, 7.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1220 0.079146 82 C pz 1295 -0.071981 87 C pz Vector 658 Occ=2.000000D+00 E=-3.400270D-01 MO Center= -1.1D-01, 2.9D-01, 9.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.076193 1 C pz 318 -0.075725 22 C px Vector 659 Occ=2.000000D+00 E=-3.394887D-01 MO Center= -3.4D-01, -3.3D-01, -1.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 723 0.078413 49 C px Vector 660 Occ=2.000000D+00 E=-3.382154D-01 MO Center= -6.7D-02, -2.8D-01, -2.6D+00, r^2= 4.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3438 0.080943 230 C px 3453 0.080644 231 C px 3153 0.080210 211 C px Vector 661 Occ=2.000000D+00 E=-3.371323D-01 MO Center= -7.9D-01, -4.3D-03, -1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3424 0.072429 229 C py 3229 -0.069618 216 C py 3184 -0.067892 213 C py 3200 -0.068164 214 C pz 3214 0.067089 215 C py 558 0.066707 38 C px 2988 -0.066634 200 C px 3018 0.065495 202 C px Vector 662 Occ=2.000000D+00 E=-3.360164D-01 MO Center= -2.0D+00, 2.1D-01, -4.8D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2059 0.089495 138 C py 469 0.088944 32 C py 2299 0.088944 154 C py 2104 -0.087532 141 C py 1639 -0.086454 110 C py 799 -0.084543 54 C py Vector 663 Occ=2.000000D+00 E=-3.340080D-01 MO Center= 7.3D-01, -1.4D+00, -4.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2403 0.089478 161 C px 1848 0.088064 124 C px 1083 0.084245 73 C px 2523 -0.083207 169 C px 1383 0.082342 93 C px 2629 -0.081600 176 C py Vector 664 Occ=2.000000D+00 E=-3.327527D-01 MO Center= 1.7D+00, 1.2D+00, -3.3D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1939 0.094620 130 C py 2719 0.091158 182 C py 2704 -0.089823 181 C py 363 0.086770 25 C px 1894 0.087155 127 C py Vector 665 Occ=2.000000D+00 E=-3.222472D-01 MO Center= -2.6D-01, -1.4D-01, -3.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2929 -0.076220 196 C py 1954 0.072477 131 C py Vector 666 Occ=2.000000D+00 E=-3.218205D-01 MO Center= 1.2D-01, 1.6D-01, -2.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2598 0.078468 174 C px Vector 667 Occ=2.000000D+00 E=-3.213073D-01 MO Center= 1.3D-01, 7.3D-02, -9.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1473 0.088778 99 C px Vector 668 Occ=2.000000D+00 E=-3.210530D-01 MO Center= -1.2D-01, 5.6D-02, -2.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 64 0.068970 5 C py 3050 -0.068207 204 C pz 2780 -0.067103 186 C pz 3380 0.065722 226 C pz 1714 -0.063002 115 C py 2944 0.062771 197 C py Vector 669 Occ=2.000000D+00 E=-3.205041D-01 MO Center= 3.7D-03, -1.4D-01, -3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 798 0.081592 54 C px 1908 -0.076921 128 C px 1084 0.076295 73 C py Vector 670 Occ=2.000000D+00 E=-3.103191D-01 MO Center= -6.6D-02, 5.2D-02, -3.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2733 -0.074756 183 C px 2313 0.073142 155 C px 453 0.070286 31 C px 3500 -0.070567 234 C pz 2298 -0.067970 154 C px Vector 671 Occ=2.000000D+00 E=-3.102236D-01 MO Center= 2.0D-01, 1.8D-02, -5.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3365 0.097685 225 C pz 3305 -0.094484 221 C pz 560 -0.088612 38 C pz Vector 672 Occ=2.000000D+00 E=-3.098389D-01 MO Center= -2.9D-02, -1.5D-01, -1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3485 -0.091458 233 C pz 845 0.085102 57 C pz Vector 673 Occ=2.000000D+00 E=-3.092525D-01 MO Center= 2.4D-02, -1.1D-01, -2.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3590 -0.107619 240 C pz 875 0.101934 59 C pz Vector 674 Occ=2.000000D+00 E=-3.084261D-01 MO Center= -7.3D-02, 1.3D-01, -1.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3530 0.096375 236 C pz 3350 -0.095879 224 C pz 695 0.087867 47 C pz Vector 675 Occ=2.000000D+00 E=-3.077992D-01 MO Center= -2.3D-02, 2.3D-01, 2.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1623 0.086102 109 C px 2613 -0.085309 175 C px 1923 0.079853 129 C px 1564 -0.077494 105 C py Vector 676 Occ=2.000000D+00 E=-3.072285D-01 MO Center= -9.7D-02, -1.7D-01, 5.5D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1743 0.112723 117 C px Vector 677 Occ=2.000000D+00 E=-3.069618D-01 MO Center= 4.2D-02, 6.8D-02, 4.1D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1878 0.101337 126 C px 1923 0.097553 129 C px 2103 -0.094584 141 C px Vector 678 Occ=2.000000D+00 E=-3.064468D-01 MO Center= 1.8D-01, -4.2D-02, 1.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2613 -0.087749 175 C px 1623 0.085427 109 C px 2824 0.081976 189 C py 2809 0.080925 188 C py 1369 0.080464 92 C py 1158 0.079883 78 C px 1684 -0.079571 113 C py Vector 679 Occ=2.000000D+00 E=-3.057617D-01 MO Center= -2.4D-02, 4.2D-02, 3.1D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 978 0.094725 66 C px 1863 -0.085779 125 C px Vector 680 Occ=2.000000D+00 E=-3.054813D-01 MO Center= 4.2D-02, 5.0D-02, 3.5D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1039 0.095678 70 C py 1010 -0.086444 68 C pz Vector 681 Occ=2.000000D+00 E=-3.048108D-01 MO Center= -2.9D-02, 3.0D-02, 3.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 619 0.094628 42 C py 275 0.093355 19 C pz 423 0.088116 29 C px Vector 682 Occ=2.000000D+00 E=-2.861435D-01 MO Center= -1.9D-01, 2.2D-01, -4.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3545 0.098550 237 C pz Vector 683 Occ=2.000000D+00 E=-2.855038D-01 MO Center= 1.3D-01, -2.7D-01, -3.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1834 0.102432 123 C py 3425 0.095173 229 C pz Vector 684 Occ=2.000000D+00 E=-2.841979D-01 MO Center= -4.1D-02, -3.0D-02, -2.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3275 0.098519 219 C pz 1325 0.096662 89 C pz 3095 0.089305 207 C pz Vector 685 Occ=2.000000D+00 E=-2.825942D-01 MO Center= 8.0D-02, 3.2D-02, 1.1D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 860 0.075498 58 C pz 1235 -0.075494 83 C pz 1443 -0.068468 97 C px Vector 686 Occ=2.000000D+00 E=-2.813161D-01 MO Center= 2.3D-01, -1.4D-01, 9.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 530 -0.073758 36 C pz 830 0.072621 56 C pz 1205 -0.072566 81 C pz 695 0.072037 47 C pz 1295 -0.072362 87 C pz 215 0.071206 15 C pz 948 -0.068327 64 C px 2733 0.067098 183 C px Vector 687 Occ=2.000000D+00 E=-2.799686D-01 MO Center= -4.5D-01, 2.3D-01, -6.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2283 0.085320 153 C px 2899 -0.081199 194 C py Vector 688 Occ=2.000000D+00 E=-2.792804D-01 MO Center= -1.8D-02, -3.3D-01, 3.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1130 0.105757 76 C pz 3035 0.101052 203 C pz Vector 689 Occ=2.000000D+00 E=-2.791283D-01 MO Center= 4.7D-01, 3.1D-02, -3.0D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3095 0.099975 207 C pz Vector 690 Occ=2.000000D+00 E=-2.784681D-01 MO Center= -2.8D-02, 6.3D-03, -3.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2419 -0.097371 162 C py 3215 0.096967 215 C pz 1564 -0.092283 105 C py 1010 0.090282 68 C pz 1834 -0.089569 123 C py Vector 691 Occ=2.000000D+00 E=-2.773587D-01 MO Center= 1.1D-03, 2.0D-01, -6.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2103 0.113683 141 C px 1923 0.108129 129 C px Vector 692 Occ=2.000000D+00 E=-2.743204D-01 MO Center= 1.8D-02, -1.9D-01, 1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1280 0.094045 86 C pz 1175 -0.087269 79 C pz Vector 693 Occ=2.000000D+00 E=-2.736589D-01 MO Center= 4.4D-01, 9.4D-01, 3.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2929 0.114726 196 C py 2944 -0.108746 197 C py Vector 694 Occ=2.000000D+00 E=-2.731607D-01 MO Center= -2.4D-01, -1.1D-01, 4.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 948 -0.088995 64 C px 1458 0.088158 98 C px 2298 -0.084370 154 C px 500 0.081004 34 C pz Vector 695 Occ=2.000000D+00 E=-2.723754D-01 MO Center= 7.3D-01, 6.0D-01, -3.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1443 -0.095591 97 C px 2268 -0.095521 152 C px 2899 -0.093542 194 C py 963 0.092235 65 C px 1638 0.089870 110 C px Vector 696 Occ=2.000000D+00 E=-2.714485D-01 MO Center= -5.8D-01, -1.0D+00, -2.4D-02, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 438 0.092558 30 C px 798 -0.090966 54 C px 2688 0.085570 180 C px 1908 -0.083867 128 C px Vector 697 Occ=2.000000D+00 E=-2.664704D-01 MO Center= -2.9D-01, 1.4D-01, -3.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3590 0.128139 240 C pz Vector 698 Occ=2.000000D+00 E=-2.657948D-01 MO Center= 1.0D-01, 1.2D-02, -3.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3530 -0.122832 236 C pz 3350 0.121598 224 C pz Vector 699 Occ=2.000000D+00 E=-2.639974D-01 MO Center= 4.0D-02, -2.3D-01, 2.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1024 0.111049 69 C py Vector 700 Occ=2.000000D+00 E=-2.635721D-01 MO Center= -6.0D-01, -1.7D-01, 4.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 453 0.110898 31 C px 2434 0.101913 163 C py Vector 701 Occ=2.000000D+00 E=-2.630925D-01 MO Center= -1.5D-01, 1.6D-01, -1.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 49 0.096596 4 C py 2118 -0.093590 142 C px 2733 0.092069 183 C px Vector 702 Occ=2.000000D+00 E=-2.619578D-01 MO Center= 2.3D-01, -8.3D-02, -9.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 545 0.087471 37 C pz 875 -0.087379 59 C pz 2045 -0.082738 137 C pz 2598 0.081569 174 C px 933 0.081090 63 C px 1473 -0.080019 99 C px Vector 703 Occ=2.000000D+00 E=-2.606694D-01 MO Center= -4.3D-01, 2.7D-01, -1.0D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 695 0.099022 47 C pz 2885 0.093827 193 C pz Vector 704 Occ=2.000000D+00 E=-2.574393D-01 MO Center= 9.7D-02, -4.3D-01, -1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3125 0.077539 209 C pz 1803 -0.074591 121 C px 2103 -0.074733 141 C px 3110 -0.074445 208 C pz 1834 -0.073436 123 C py 2628 0.073428 176 C px 1623 0.071216 109 C px Vector 705 Occ=2.000000D+00 E=-2.561175D-01 MO Center= -9.3D-01, -3.1D-01, -9.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3275 -0.078102 219 C pz 3200 -0.076058 214 C pz 2959 0.073645 198 C py 2298 0.073112 154 C px 3035 0.073111 203 C pz 3545 0.071201 237 C pz 2974 -0.070456 199 C py Vector 706 Occ=2.000000D+00 E=-2.552764D-01 MO Center= 1.2D+00, 9.9D-03, -7.0D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3095 0.080144 207 C pz 3155 -0.076503 211 C pz 2703 -0.073137 181 C px 2718 0.072651 182 C px Vector 707 Occ=2.000000D+00 E=-2.387270D-01 MO Center= -6.5D-03, -1.7D-01, 6.3D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 860 0.094518 58 C pz Vector 708 Occ=2.000000D+00 E=-2.379113D-01 MO Center= 2.1D-01, 2.8D-01, 2.8D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 530 0.113178 36 C pz 3470 -0.103582 232 C pz Vector 709 Occ=2.000000D+00 E=-2.371006D-01 MO Center= -5.3D-01, 3.5D-02, -1.3D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2809 -0.097194 188 C py 1789 -0.095482 120 C py 1684 0.092528 113 C py 1954 0.091307 131 C py Vector 710 Occ=2.000000D+00 E=-2.368371D-01 MO Center= 5.5D-01, -1.7D-01, -1.2D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2658 -0.082059 178 C px 1519 -0.080878 102 C py 2118 0.079700 142 C px 2073 -0.077514 139 C px 2389 0.077441 160 C py 2465 -0.077787 165 C pz 170 0.075616 12 C pz 2583 0.075874 173 C px 2675 0.075948 179 C pz Vector 711 Occ=2.000000D+00 E=-2.312633D-01 MO Center= -2.8D-01, 1.3D-01, -4.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3530 -0.095756 236 C pz 2058 0.088174 138 C px Vector 712 Occ=2.000000D+00 E=-2.309054D-01 MO Center= 4.0D-01, 2.9D-01, -1.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2598 0.080195 174 C px 2703 0.075137 181 C px Vector 713 Occ=2.000000D+00 E=-2.302611D-01 MO Center= -2.2D-01, -5.6D-01, 3.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 483 0.083575 33 C px 2449 -0.082518 164 C py 2374 0.079202 159 C py 2434 0.077243 163 C py Vector 714 Occ=2.000000D+00 E=-2.296646D-01 MO Center= 3.0D-01, 3.0D-01, 2.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2869 -0.084660 192 C py 2014 -0.081375 135 C py 1414 0.080391 95 C py Vector 715 Occ=2.000000D+00 E=-2.281477D-01 MO Center= -2.9D-01, -3.9D-02, -9.9D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2073 -0.075212 139 C px 798 0.070681 54 C px Vector 716 Occ=2.000000D+00 E=-2.138776D-01 MO Center= -6.1D-01, 6.5D-02, -1.3D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2058 0.092408 138 C px 1593 0.090433 107 C px Vector 717 Occ=2.000000D+00 E=-2.122017D-01 MO Center= -5.3D-01, 1.1D+00, -8.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3350 0.098116 224 C pz 2014 0.090916 135 C py Vector 718 Occ=2.000000D+00 E=-2.120663D-01 MO Center= 6.3D-01, -8.1D-01, -6.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 963 0.088977 65 C px 2449 -0.085872 164 C py 3590 -0.081345 240 C pz 978 0.080544 66 C px Vector 719 Occ=2.000000D+00 E=-2.108821D-01 MO Center= -1.0D+00, -1.2D+00, -1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2434 0.084536 163 C py 1399 0.083873 94 C py 2118 -0.079246 142 C px Vector 720 Occ=2.000000D+00 E=-2.103273D-01 MO Center= 1.2D+00, 4.8D-01, -6.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2733 0.081797 183 C px 2853 -0.076919 191 C px 3410 -0.076211 228 C pz Vector 721 Occ=0.000000D+00 E=-1.446482D-01 MO Center= -7.7D-02, 7.5D-01, 9.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 545 0.088255 37 C pz 549 0.085978 37 C pz 1504 0.084131 101 C py 2869 0.080851 192 C py Vector 722 Occ=0.000000D+00 E=-1.430892D-01 MO Center= 1.8D+00, -2.7D-01, 3.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2658 -0.092921 178 C px 978 0.092213 66 C px 982 0.083953 66 C px Vector 723 Occ=0.000000D+00 E=-1.411698D-01 MO Center= -1.6D+00, -4.1D-01, -1.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2058 -0.101031 138 C px 1593 0.096846 107 C px 1684 0.094756 113 C py Vector 724 Occ=0.000000D+00 E=-1.289662D-01 MO Center= -1.6D+00, 1.1D+00, -5.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2014 -0.094500 135 C py 1608 0.086923 108 C px 1612 0.086070 108 C px Vector 725 Occ=0.000000D+00 E=-1.278579D-01 MO Center= 5.1D-01, -2.1D+00, -4.4D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2389 -0.109809 160 C py 1789 0.107482 120 C py Vector 726 Occ=0.000000D+00 E=-1.271350D-01 MO Center= 9.9D-01, 9.6D-01, -2.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2809 -0.093404 188 C py 1519 0.092442 102 C py 3350 0.087063 224 C pz 3354 0.085011 224 C pz Vector 727 Occ=0.000000D+00 E=-9.233551D-02 MO Center= 1.2D-01, 9.1D-01, 9.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 504 0.110398 34 C pz 249 -0.099731 17 C pz Vector 728 Occ=0.000000D+00 E=-9.092296D-02 MO Center= 6.1D-02, 5.1D-01, 3.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 98 0.094915 7 C py 94 0.087472 7 C py Vector 729 Occ=0.000000D+00 E=-9.029313D-02 MO Center= 2.8D-01, -8.1D-01, 2.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1373 0.092050 92 C py 834 -0.090930 56 C pz 1369 0.086140 92 C py 3519 -0.085825 235 C pz 1088 0.084833 73 C py 3234 0.084950 216 C pz 1224 0.082988 82 C pz 3504 0.083276 234 C pz Vector 730 Occ=0.000000D+00 E=-8.918410D-02 MO Center= -8.9D-02, -2.3D-01, -1.4D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 937 0.096968 63 C px 933 0.090311 63 C px Vector 731 Occ=0.000000D+00 E=-8.654912D-02 MO Center= -2.5D-01, 9.3D-02, -2.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2302 0.095285 154 C px 2948 -0.089155 197 C py Vector 732 Occ=0.000000D+00 E=-7.650483D-02 MO Center= -7.9D-02, 1.3D-01, 1.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1718 -0.108610 115 C py 1538 0.107437 103 C py 3549 -0.104296 237 C pz Vector 733 Occ=0.000000D+00 E=-7.384371D-02 MO Center= 5.8D-03, -1.1D-02, -2.9D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1747 0.085127 117 C px 772 -0.082692 52 C px 215 0.081574 15 C pz 1927 -0.080279 129 C px 3380 -0.080584 226 C pz 1987 0.077684 133 C px Vector 734 Occ=0.000000D+00 E=-7.304080D-02 MO Center= -7.3D-02, 3.3D-01, -3.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2903 0.107876 194 C py 2918 -0.105397 195 C py 2899 0.103936 194 C py 2914 -0.102286 195 C py 3564 -0.102535 238 C pz 1058 0.098391 71 C py Vector 735 Occ=0.000000D+00 E=-7.241922D-02 MO Center= 1.1D-01, -3.3D-01, -5.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3069 0.105927 205 C pz 3444 0.100572 230 C pz 3429 -0.098970 229 C pz 3065 0.096977 205 C pz Vector 736 Occ=0.000000D+00 E=-7.211477D-02 MO Center= -1.5D-01, -2.7D-01, -1.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1642 0.095031 110 C px 2287 -0.094302 153 C px 2283 -0.092824 153 C px 1447 0.090500 97 C px 1638 0.089154 110 C px 1443 0.086665 97 C px Vector 737 Occ=0.000000D+00 E=-7.155208D-02 MO Center= 3.0D-02, 1.8D-01, -1.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3099 0.104421 207 C pz 1209 0.099402 81 C pz Vector 738 Occ=0.000000D+00 E=-6.687892D-02 MO Center= 6.6D-01, -1.2D-02, 5.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3294 0.103088 220 C pz 819 0.099138 55 C pz 1432 0.099181 96 C px 1179 -0.096955 79 C pz Vector 739 Occ=0.000000D+00 E=-6.574787D-02 MO Center= 9.9D-01, 1.7D-01, 7.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1583 0.109410 106 C py 1329 -0.106065 89 C pz 1325 -0.101610 89 C pz 1010 0.099367 68 C pz 368 0.098494 25 C py Vector 740 Occ=0.000000D+00 E=-6.480784D-02 MO Center= -2.3D-01, -1.2D+00, 8.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2528 0.113766 169 C py 1388 0.110450 93 C py 549 0.109507 37 C pz Vector 741 Occ=0.000000D+00 E=-6.447832D-02 MO Center= 3.8D-01, 4.7D-01, 4.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2737 -0.112810 183 C px 353 0.111675 24 C py 1927 0.107528 129 C px 2948 0.107930 197 C py 457 -0.103341 31 C px 2302 -0.103089 154 C px Vector 742 Occ=0.000000D+00 E=-6.396409D-02 MO Center= -8.9D-01, 3.2D-01, 2.1D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1254 0.132345 84 C pz Vector 743 Occ=0.000000D+00 E=-6.352581D-02 MO Center= -7.3D-01, 9.4D-01, 4.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1568 0.143866 105 C py Vector 744 Occ=0.000000D+00 E=-6.305308D-02 MO Center= 1.9D-01, 3.7D-01, -1.1D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3039 0.114434 203 C pz Vector 745 Occ=0.000000D+00 E=-6.214153D-02 MO Center= 5.8D-01, 2.4D-02, 5.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 922 0.132624 62 C px Vector 746 Occ=0.000000D+00 E=-6.210986D-02 MO Center= -2.4D-01, 5.2D-02, 5.6D-02, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1688 0.107985 113 C py 1793 0.104649 120 C py 1627 0.103784 109 C px 3279 -0.098013 219 C pz Vector 747 Occ=0.000000D+00 E=-6.124889D-02 MO Center= 2.1D-01, -5.8D-01, 1.5D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2617 0.129609 175 C px Vector 748 Occ=0.000000D+00 E=-6.065927D-02 MO Center= -8.5D-01, -3.9D-01, 6.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 159 0.103842 11 C pz 1747 0.101607 117 C px 757 0.094923 51 C px 1538 0.094738 103 C py Vector 749 Occ=0.000000D+00 E=-5.995768D-02 MO Center= 1.2D-01, 1.3D-01, -1.7D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3309 0.153780 221 C pz Vector 750 Occ=0.000000D+00 E=-5.853898D-02 MO Center= -7.3D-01, 6.3D-01, -1.5D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2332 -0.124398 156 C px 2049 0.115893 137 C pz 2347 -0.114176 157 C px 2963 0.112684 198 C py Vector 751 Occ=0.000000D+00 E=-5.659878D-02 MO Center= 7.2D-01, -1.2D+00, -7.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2423 0.182171 162 C py 2408 0.161898 161 C py Vector 752 Occ=0.000000D+00 E=-5.548620D-02 MO Center= -1.9D-01, 2.1D-01, -8.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2107 0.187665 141 C px 2103 0.151803 141 C px Vector 753 Occ=0.000000D+00 E=-3.797506D-02 MO Center= 6.9D-02, 1.1D-02, -2.0D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1597 0.137262 107 C px Vector 754 Occ=0.000000D+00 E=-3.736952D-02 MO Center= -3.0D-02, 4.3D-01, 3.6D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1508 0.147774 101 C py 879 0.135901 59 C pz Vector 755 Occ=0.000000D+00 E=-3.609509D-02 MO Center= -5.3D-02, -1.1D-02, -5.2D-02, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1344 0.146642 90 C pz 2049 0.145537 137 C pz Vector 756 Occ=0.000000D+00 E=-3.572673D-02 MO Center= 2.3D-01, -3.4D-01, 3.2D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1028 -0.133803 69 C py 999 0.131953 67 C pz 1793 0.127812 120 C py 1688 0.120619 113 C py Vector 757 Occ=0.000000D+00 E=-3.484177D-02 MO Center= -1.5D-01, 1.9D-03, 3.6D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 294 0.126751 20 C pz 1523 -0.117745 102 C py 2722 0.114419 182 C px Vector 758 Occ=0.000000D+00 E=-3.307970D-02 MO Center= -4.0D-02, 7.4D-02, 2.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1373 0.119444 92 C py 1058 -0.108384 71 C py Vector 759 Occ=0.000000D+00 E=-3.243943D-02 MO Center= 1.0D-01, -2.8D-01, -6.0D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3369 0.105369 225 C pz 3489 -0.100501 233 C pz 2873 0.095560 192 C py 3485 -0.095849 233 C pz Vector 760 Occ=0.000000D+00 E=-3.195327D-02 MO Center= 7.5D-02, -1.6D-02, -2.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3429 0.113594 229 C pz 3069 -0.103159 205 C pz Vector 761 Occ=0.000000D+00 E=-3.083116D-02 MO Center= -7.4D-02, 8.3D-02, -2.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 937 -0.111238 63 C px 457 0.109360 31 C px 3129 0.109840 209 C pz 2903 -0.106742 194 C py 2287 0.103745 153 C px Vector 762 Occ=0.000000D+00 E=-3.059886D-02 MO Center= -1.1D-01, -2.6D-01, -3.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 772 0.099683 52 C px 3294 -0.097939 220 C pz 638 0.095522 43 C py 1284 0.091142 86 C pz 3155 0.091347 211 C pz 3159 0.091574 211 C pz 2272 0.090456 152 C px Vector 763 Occ=0.000000D+00 E=-2.931615D-02 MO Center= 2.4D-01, -2.5D-01, -2.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1882 0.109143 126 C px 1912 0.100577 128 C px Vector 764 Occ=0.000000D+00 E=-2.894880D-02 MO Center= -1.1D-01, 3.7D-01, -2.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 472 0.127783 32 C px 68 0.120340 5 C py 952 0.116423 64 C px 1942 -0.115744 130 C px Vector 765 Occ=0.000000D+00 E=-2.112600D-02 MO Center= -2.0D-02, 5.9D-02, 5.3D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1149 -0.119149 77 C pz 1118 -0.116828 75 C py 1028 -0.112292 69 C py 174 0.110726 12 C pz 1284 0.110302 86 C pz 188 -0.109361 13 C py Vector 766 Occ=0.000000D+00 E=-2.096360D-02 MO Center= -4.3D-02, -7.2D-02, 4.7D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 294 0.131884 20 C pz Vector 767 Occ=0.000000D+00 E=-1.898738D-02 MO Center= 1.1D-01, 1.1D-01, 3.8D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 864 0.137229 58 C pz 879 -0.136614 59 C pz 699 0.127762 47 C pz Vector 768 Occ=0.000000D+00 E=-1.814674D-02 MO Center= -3.0D-01, 2.1D-01, 4.6D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 549 0.149514 37 C pz Vector 769 Occ=0.000000D+00 E=-1.669256D-02 MO Center= -5.5D-02, 7.9D-02, -2.8D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3159 -0.133108 211 C pz 159 0.123589 11 C pz Vector 770 Occ=0.000000D+00 E=-1.609019D-02 MO Center= -2.2D-01, -1.5D-01, -1.8D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 279 0.132611 19 C pz 3099 -0.129993 207 C pz Vector 771 Occ=0.000000D+00 E=-1.488277D-02 MO Center= 1.9D-01, -4.4D-02, -1.4D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3549 0.120832 237 C pz 3489 0.111556 233 C pz 1344 0.110459 90 C pz 2722 -0.109394 182 C px Vector 772 Occ=0.000000D+00 E=-1.259764D-02 MO Center= 2.9D-01, 3.6D-02, -5.1D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2393 0.122828 160 C py Vector 773 Occ=0.000000D+00 E=-1.199022D-02 MO Center= -1.3D-01, -1.1D-01, -4.5D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2617 -0.130763 175 C px 1627 0.127989 109 C px 2423 -0.121097 162 C py 2062 -0.119939 138 C px 2813 -0.119484 188 C py Vector 774 Occ=0.000000D+00 E= 9.815839D-03 MO Center= -2.8D-02, 1.3D-02, -6.3D-02, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 757 0.113857 51 C px 83 0.112562 6 C py 249 0.111264 17 C pz 2767 0.109584 185 C px 2558 0.106338 171 C py 2918 0.106406 195 C py 2438 0.104943 163 C py 3114 0.104465 208 C pz Vector 775 Occ=0.000000D+00 E= 1.060262D-02 MO Center= -8.1D-02, 9.6D-02, 9.4D-03, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1432 0.124155 96 C px 2332 0.123638 156 C px 1358 0.120193 91 C py 98 -0.112607 7 C py Vector 776 Occ=0.000000D+00 E= 1.122910D-02 MO Center= 5.4D-02, -3.5D-02, 1.6D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3369 -0.110951 225 C pz 564 -0.110224 38 C pz 337 0.109110 23 C px 1329 0.104043 89 C pz 1254 0.103419 84 C pz 668 0.102224 45 C py 2378 -0.101394 159 C py Vector 777 Occ=0.000000D+00 E= 1.160223D-02 MO Center= -1.3D-01, -1.6D-01, 2.9D-02, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1747 0.122026 117 C px 1134 0.116555 76 C pz 3039 0.112804 203 C pz Vector 778 Occ=0.000000D+00 E= 1.204419D-02 MO Center= 2.1D-01, -1.2D-01, -1.1D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3519 0.119758 235 C pz 1224 0.112738 82 C pz 594 0.109961 40 C pz 3515 0.109828 235 C pz 1194 0.109029 80 C pz Vector 779 Occ=0.000000D+00 E= 1.319960D-02 MO Center= -1.0D-02, -1.4D-02, -1.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2903 0.130984 194 C py 1058 0.122599 71 C py Vector 780 Occ=0.000000D+00 E= 1.381183D-02 MO Center= -1.7D-02, -6.2D-02, -1.0D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 937 -0.143062 63 C px 2692 0.140012 180 C px 442 0.137755 30 C px 2287 -0.135278 153 C px Vector 781 Occ=0.000000D+00 E= 1.582164D-02 MO Center= 1.0D-01, -2.0D-01, -3.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1388 0.131331 93 C py 1462 0.129254 98 C px Vector 782 Occ=0.000000D+00 E= 1.626861D-02 MO Center= -1.2D-01, 2.1D-01, -3.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1942 0.142035 130 C px 967 0.139315 65 C px 1642 0.137869 110 C px 2737 -0.131539 183 C px 472 0.129740 32 C px Vector 783 Occ=0.000000D+00 E= 2.270788D-02 MO Center= -4.6D-03, 6.8D-03, 1.9D-01, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3549 0.109628 237 C pz 1254 0.108377 84 C pz 684 0.107584 46 C pz 849 0.106415 57 C pz 579 0.105595 39 C pz 1118 -0.105216 75 C py 1283 -0.105667 86 C py 564 0.103483 38 C pz 3309 0.103839 221 C pz 1028 -0.103247 69 C py Vector 784 Occ=0.000000D+00 E= 2.663640D-02 MO Center= 8.5D-02, 9.6D-02, -4.5D-02, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2602 0.138597 174 C px 1597 0.132433 107 C px 1882 0.127930 126 C px 1508 0.127211 101 C py 2062 0.127160 138 C px Vector 785 Occ=0.000000D+00 E= 2.692417D-02 MO Center= -8.3D-02, -2.9D-02, -2.3D-02, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3474 -0.128298 232 C pz 2408 0.127540 161 C py 2423 0.126325 162 C py Vector 786 Occ=0.000000D+00 E= 4.214941D-02 MO Center= 3.7D-01, -2.7D-01, 1.6D+00, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 879 0.229017 59 C pz 699 -0.191086 47 C pz 864 -0.187280 58 C pz 1344 -0.172662 90 C pz 1418 -0.167231 95 C py 1028 0.157144 69 C py Vector 787 Occ=0.000000D+00 E= 4.318234D-02 MO Center= -6.9D-01, 3.6D-01, 4.1D-01, r^2= 5.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1508 0.186273 101 C py 1958 -0.184134 131 C py 1597 -0.177978 107 C px 1612 0.177889 108 C px 2062 0.169201 138 C px 2393 -0.167117 160 C py 1972 -0.153303 132 C px 2587 -0.153992 173 C px Vector 788 Occ=0.000000D+00 E= 4.353790D-02 MO Center= -3.6D-01, -9.3D-01, -5.8D-01, r^2= 5.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2438 -0.166943 163 C py 2077 -0.160941 139 C px 2468 0.160301 165 C py 2469 0.157206 165 C pz 487 0.156287 33 C px 3414 0.156202 228 C pz 534 0.151048 36 C pz 549 -0.150570 37 C pz 2662 -0.150217 178 C px Vector 789 Occ=0.000000D+00 E= 4.619794D-02 MO Center= 7.3D-01, -8.2D-02, -4.8D-01, r^2= 5.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1793 0.188305 120 C py 1597 0.186769 107 C px 1882 -0.182236 126 C px 1612 -0.175238 108 C px 1867 0.159057 125 C px 1777 0.157198 119 C px 2602 0.152181 174 C px Vector 790 Occ=0.000000D+00 E= 4.661133D-02 MO Center= 3.5D-01, 2.2D-01, -6.1D-01, r^2= 5.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1523 -0.200117 102 C py 1688 0.198098 113 C py 1508 0.189528 101 C py 1882 -0.164034 126 C px 1702 -0.151308 114 C px Vector 791 Occ=0.000000D+00 E= 4.812525D-02 MO Center= -2.7D-01, 3.2D-01, -1.2D+00, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 879 0.189356 59 C pz 3594 0.178305 240 C pz 864 -0.158293 58 C pz Vector 792 Occ=0.000000D+00 E= 5.032794D-02 MO Center= -2.5D-01, 5.0D-01, 9.1D-01, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 549 -0.230344 37 C pz 534 0.223096 36 C pz 3414 -0.158099 228 C pz 3474 0.154698 232 C pz 487 0.153094 33 C px 383 0.152120 26 C py Vector 793 Occ=0.000000D+00 E= 5.532230D-02 MO Center= -5.1D-02, 1.9D-01, 2.2D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1373 0.141034 92 C py 2918 -0.133069 195 C py 2978 0.127759 199 C py Vector 794 Occ=0.000000D+00 E= 5.548493D-02 MO Center= -9.7D-02, -9.9D-02, 2.8D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3534 0.136764 236 C pz 1043 -0.132114 70 C py 83 0.124736 6 C py 757 0.124900 51 C px Vector 795 Occ=0.000000D+00 E= 5.642013D-02 MO Center= -1.4D-03, -2.6D-02, 1.1D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1134 -0.111310 76 C pz 203 0.109580 14 C py 564 0.108434 38 C pz 3369 -0.106880 225 C pz 3039 0.103176 203 C pz 1388 0.101918 93 C py Vector 796 Occ=0.000000D+00 E= 5.775943D-02 MO Center= 4.1D-02, -4.2D-02, -1.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2692 -0.136004 180 C px 442 0.126622 30 C px Vector 797 Occ=0.000000D+00 E= 5.827494D-02 MO Center= 4.7D-02, -4.7D-03, 8.5D-02, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 834 0.153851 56 C pz Vector 798 Occ=0.000000D+00 E= 5.895451D-02 MO Center= 5.5D-02, -2.2D-02, 1.1D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2602 0.146123 174 C px 2062 -0.144586 138 C px 952 0.133793 64 C px Vector 799 Occ=0.000000D+00 E= 6.197182D-02 MO Center= -7.5D-03, 4.1D-02, 5.3D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1073 0.139935 72 C py 1583 0.138271 106 C py 2948 -0.130126 197 C py 1642 -0.129158 110 C px 53 0.128424 4 C py 1088 -0.127709 73 C py Vector 800 Occ=0.000000D+00 E= 6.253707D-02 MO Center= -6.7D-03, -4.8D-02, 1.2D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 457 0.146400 31 C px 1718 -0.132169 115 C py Vector 801 Occ=0.000000D+00 E= 8.114799D-02 MO Center= 3.5D-02, -1.5D-01, -1.1D+00, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2662 -0.134233 178 C px 2018 0.127407 135 C py 3231 -0.126169 216 C s 2647 -0.122739 177 C px Vector 802 Occ=0.000000D+00 E= 8.119175D-02 MO Center= -5.0D-02, -3.6D-02, -1.2D+00, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2873 0.141089 192 C py Vector 803 Occ=0.000000D+00 E= 8.403426D-02 MO Center= -2.9D-02, 8.1D-01, -4.9D-01, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3354 0.204023 224 C pz 3594 -0.200288 240 C pz 1508 -0.161508 101 C py 1523 0.161168 102 C py 879 0.154356 59 C pz 2378 -0.150556 159 C py Vector 804 Occ=0.000000D+00 E= 8.516660D-02 MO Center= 7.6D-02, -8.5D-01, -6.0D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3474 0.231493 232 C pz 3414 -0.194582 228 C pz 3534 -0.181904 236 C pz 534 -0.164412 36 C pz Vector 805 Occ=0.000000D+00 E= 9.125729D-02 MO Center= 1.1D-04, 6.5D-03, -1.7D-02, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2483 0.116790 166 C py 2978 0.115458 199 C py 2183 -0.112335 146 C py 2903 0.109720 194 C py 1358 0.108122 91 C py 9 0.106391 1 C pz 1403 0.106669 94 C py Vector 806 Occ=0.000000D+00 E= 9.219316D-02 MO Center= 1.2D-02, -2.4D-02, -1.4D-02, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2287 0.130856 153 C px 2692 -0.128341 180 C px Vector 807 Occ=0.000000D+00 E= 9.788987D-02 MO Center= -5.3D-03, -7.2D-02, -7.5D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3279 0.135367 219 C pz Vector 808 Occ=0.000000D+00 E= 9.897110D-02 MO Center= -4.4D-02, -5.2D-03, 1.2D+00, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 173 0.147386 12 C py 383 -0.147496 26 C py 1028 -0.143216 69 C py 188 -0.139567 13 C py 714 -0.139509 48 C pz 234 0.137834 16 C pz 1043 0.133598 70 C py Vector 809 Occ=0.000000D+00 E= 9.954379D-02 MO Center= 2.2D-02, 6.7D-02, 1.3D+00, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 982 0.159555 66 C px Vector 810 Occ=0.000000D+00 E= 1.026051D-01 MO Center= 2.4D-01, -5.3D-01, 5.2D-01, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 879 0.224587 59 C pz 699 -0.198647 47 C pz 3594 0.188616 240 C pz 3354 -0.170332 224 C pz 864 -0.165114 58 C pz Vector 811 Occ=0.000000D+00 E= 1.039336D-01 MO Center= 1.4D-01, -1.3D-01, -3.6D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2602 0.158443 174 C px Vector 812 Occ=0.000000D+00 E= 1.041796D-01 MO Center= -4.4D-01, 8.6D-01, 5.1D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 534 0.234528 36 C pz 549 -0.216855 37 C pz 3474 0.173063 232 C pz 3414 -0.156743 228 C pz 864 -0.150354 58 C pz Vector 813 Occ=0.000000D+00 E= 1.092636D-01 MO Center= -1.3D-02, 1.2D-02, -8.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1942 0.161128 130 C px 1642 0.157971 110 C px 1583 0.152181 106 C py Vector 814 Occ=0.000000D+00 E= 1.199491D-01 MO Center= -1.0D-02, 2.5D-02, -3.5D+00, r^2= 4.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3126 0.262904 209 C s 3066 0.251410 205 C s 3111 0.251805 208 C s 3246 0.251162 217 C s 3186 0.245044 213 C s 3291 0.241412 220 C s 3006 0.239621 201 C s 3051 0.234972 204 C s 3171 0.230896 212 C s 3231 0.211710 216 C s Vector 815 Occ=0.000000D+00 E= 1.231455D-01 MO Center= 1.9D+00, -1.2D+00, -2.3D+00, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3141 0.306998 210 C s 3381 0.303695 226 C s 3396 0.295621 227 C s 3414 -0.273837 228 C pz 2781 0.256178 186 C s 2571 -0.252504 172 C s 3456 -0.246760 231 C s 3081 -0.242355 206 C s 3441 -0.240315 230 C s 3474 0.231236 232 C pz Vector 816 Occ=0.000000D+00 E= 1.238636D-01 MO Center= -2.1D+00, 1.1D+00, -2.4D+00, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3561 0.287903 238 C s 3576 0.283476 239 C s 3021 0.281665 202 C s 3261 -0.278870 218 C s 3501 -0.274727 234 C s 3594 -0.269673 240 C pz 3534 0.268064 236 C pz 2361 0.258104 158 C s 3516 -0.258875 235 C s 2256 -0.235913 151 C s Vector 817 Occ=0.000000D+00 E= 1.290926D-01 MO Center= -5.1D-01, 9.2D-01, 1.8D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 396 -0.195505 27 C s 262 -0.192649 18 C px 188 0.186882 13 C py 1206 -0.172528 81 C s 173 -0.167721 12 C py 246 -0.166775 17 C s 1116 -0.164663 75 C s 36 0.163116 3 C s 3546 0.163253 237 C s 159 0.161906 11 C pz Vector 818 Occ=0.000000D+00 E= 1.298660D-01 MO Center= -4.6D-01, -4.5D-01, 2.7D-01, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3201 0.182526 214 C s 2991 -0.161147 200 C s 2602 0.153880 174 C px Vector 819 Occ=0.000000D+00 E= 1.299188D-01 MO Center= 8.1D-01, -3.5D-02, 8.0D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3141 0.170619 210 C s 383 -0.162862 26 C py 3366 -0.163164 225 C s 336 -0.154022 23 C s 1821 0.154508 122 C s 1281 0.150882 86 C s 1446 -0.151504 97 C s 1493 0.150605 100 C py Vector 820 Occ=0.000000D+00 E= 1.310348D-01 MO Center= 2.8D-01, -2.2D-01, 8.6D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2556 0.174652 171 C s 816 -0.157792 55 C s 2976 0.156950 199 C s Vector 821 Occ=0.000000D+00 E= 1.323569D-01 MO Center= 1.4D+00, -1.6D+00, 2.2D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 879 0.278977 59 C pz 1296 0.248118 87 C s 1236 0.236558 83 C s 864 -0.234051 58 C pz 699 -0.230195 47 C pz 2511 0.219048 168 C s 2526 0.210928 169 C s 711 -0.200237 48 C s 831 -0.200800 56 C s 2781 0.185781 186 C s Vector 822 Occ=0.000000D+00 E= 1.341428D-01 MO Center= 5.0D-02, 8.4D-02, -2.8D+00, r^2= 4.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3426 0.537305 229 C s 3366 0.534509 225 C s 3306 0.528416 221 C s 3546 0.530357 237 C s 3486 0.518239 233 C s 3096 0.474533 207 C s 3036 0.451161 203 C s 3276 0.452557 219 C s 3156 0.448685 211 C s 2541 0.429740 170 C s Vector 823 Occ=0.000000D+00 E= 1.350157D-01 MO Center= -1.2D+00, 1.7D+00, 2.2D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 534 0.301559 36 C pz 549 -0.298394 37 C pz 591 0.262578 40 C s 516 -0.239834 35 C s 2931 0.234778 196 C s 216 -0.228238 15 C s 231 0.215316 16 C s 2316 -0.197368 155 C s 1311 0.191487 88 C s 292 0.186194 20 C px Vector 824 Occ=0.000000D+00 E= 1.358239D-01 MO Center= -7.8D-02, -5.7D-02, -1.8D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3276 0.250705 219 C s 2256 -0.220986 151 C s 3156 -0.212096 211 C s 2781 0.192248 186 C s 3246 -0.181222 217 C s 3128 -0.163386 209 C py 3096 -0.162424 207 C s 3081 -0.158650 206 C s 3171 0.159221 212 C s 3201 0.158610 214 C s Vector 825 Occ=0.000000D+00 E= 1.362409D-01 MO Center= -8.1D-02, 4.5D-02, -1.5D+00, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3216 -0.202235 215 C s 3036 0.186934 203 C s 3231 0.179686 216 C s 2361 -0.167132 158 C s 3187 -0.167167 213 C px 2571 0.159456 172 C s 3096 0.156602 207 C s 3232 -0.157303 216 C px 2991 -0.154382 200 C s 3261 0.151098 218 C s Vector 826 Occ=0.000000D+00 E= 1.444630D-01 MO Center= -3.8D-02, 1.8D-01, -3.3D+00, r^2= 4.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3111 -0.529934 208 C s 3276 -0.522396 219 C s 2541 0.487281 170 C s 3126 -0.477690 209 C s 3291 0.443495 220 C s 3156 0.432298 211 C s 2331 -0.427461 156 C s 2961 -0.404195 198 C s 3096 0.395756 207 C s 2976 -0.383410 199 C s Vector 827 Occ=0.000000D+00 E= 1.453730D-01 MO Center= 3.7D-02, -3.0D-01, -3.3D+00, r^2= 4.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3171 0.534231 212 C s 3051 -0.511745 204 C s 3036 0.482111 203 C s 2751 0.463879 184 C s 3186 0.455000 213 C s 3216 -0.448379 215 C s 3066 -0.445655 205 C s 2226 -0.426112 149 C s 3141 -0.367808 210 C s 2766 0.358048 185 C s Vector 828 Occ=0.000000D+00 E= 1.473469D-01 MO Center= -2.4D-02, 1.8D-01, -2.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3366 0.456836 225 C s 2976 -0.366547 199 C s 2556 0.358631 171 C s 21 -0.342665 2 C s 3126 -0.342524 209 C s 3306 0.329825 221 C s 2241 0.298680 150 C s 3291 -0.284220 220 C s 3396 -0.282445 227 C s 3456 -0.269074 231 C s Vector 829 Occ=0.000000D+00 E= 1.477600D-01 MO Center= -1.3D-01, -9.6D-02, 1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 681 0.524317 46 C s 3546 -0.526500 237 C s 1251 0.514616 84 C s 561 0.510474 38 C s 576 0.494367 39 C s 846 0.496058 57 C s 3486 -0.496016 233 C s 1131 0.484821 76 C s 1326 0.479791 89 C s 276 0.451308 19 C s Vector 830 Occ=0.000000D+00 E= 1.483711D-01 MO Center= 1.8D-01, -1.8D-01, -2.5D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3426 0.430103 229 C s 2346 0.382327 157 C s 2766 -0.371092 185 C s 3066 0.351587 205 C s 2241 0.295859 150 C s 3336 0.286175 223 C s 3456 -0.283577 231 C s 3471 0.279926 232 C s 3306 -0.277525 221 C s 3186 -0.266520 213 C s Vector 831 Occ=0.000000D+00 E= 1.491571D-01 MO Center= 2.0D-01, 5.2D-02, -3.6D+00, r^2= 4.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3336 0.665889 223 C s 3441 0.540194 230 C s 3501 -0.534398 234 C s 3396 -0.530923 227 C s 3381 -0.463480 226 C s 3411 0.453475 228 C s 3231 -0.433553 216 C s 3576 -0.430047 239 C s 3471 -0.391208 232 C s 3351 -0.385284 224 C s Vector 832 Occ=0.000000D+00 E= 1.501315D-01 MO Center= -3.1D-01, 8.6D-01, -3.4D+00, r^2= 4.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3516 0.644044 235 C s 3321 0.615502 222 C s 3591 0.542055 240 C s 3561 -0.529037 238 C s 3576 -0.523661 239 C s 2046 0.459954 137 C s 3051 0.448622 204 C s 3456 -0.432922 231 C s 2886 -0.383886 193 C s 3381 -0.355611 226 C s Vector 833 Occ=0.000000D+00 E= 1.524325D-01 MO Center= 9.5D-01, -3.8D-01, -2.8D+00, r^2= 4.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2706 0.447859 181 C s 2481 0.403685 166 C s 3321 -0.404383 222 C s 2571 0.397636 172 C s 2676 0.397268 179 C s 3081 0.397614 206 C s 2616 -0.373521 175 C s 2631 -0.353325 176 C s 3156 -0.330985 211 C s 1536 0.323678 103 C s Vector 834 Occ=0.000000D+00 E= 1.528620D-01 MO Center= -3.2D-01, -7.7D-01, -1.6D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1836 0.468268 123 C s 1806 0.460148 121 C s 2406 0.460454 161 C s 2496 -0.454955 167 C s 1356 0.411818 91 C s 156 -0.404209 11 C s 81 -0.391548 6 C s 21 -0.378438 2 C s 3231 -0.379847 216 C s 3126 0.367700 209 C s Vector 835 Occ=0.000000D+00 E= 1.530288D-01 MO Center= -6.0D-01, 1.2D+00, -8.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1986 0.389595 133 C s 2781 0.360148 186 C s 51 -0.311533 4 C s 2886 0.305327 193 C s 3261 -0.305756 218 C s 1656 0.300244 111 C s 81 0.278587 6 C s 2931 -0.278037 196 C s 2046 -0.269615 137 C s 2901 -0.263822 194 C s Vector 836 Occ=0.000000D+00 E= 1.531088D-01 MO Center= -6.3D-01, 7.3D-01, -1.4D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2991 0.437902 200 C s 2286 0.405007 153 C s 2046 0.343283 137 C s 426 -0.340835 29 C s 2901 0.332162 194 C s 3501 -0.325672 234 C s 3261 0.312000 218 C s 3246 -0.309180 217 C s 2811 0.305734 188 C s 2541 0.300577 170 C s Vector 837 Occ=0.000000D+00 E= 1.541768D-01 MO Center= -2.9D-01, -1.7D-01, -3.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 756 0.524965 51 C s 1746 0.483080 117 C s 1011 -0.479163 68 C s 621 -0.469734 42 C s 921 -0.466666 62 C s 2091 0.446642 140 C s 321 -0.432418 22 C s 1926 -0.419137 129 C s 1716 0.414416 115 C s 1896 -0.410011 127 C s Vector 838 Occ=0.000000D+00 E= 1.559889D-01 MO Center= -2.7D-01, 3.5D-01, 2.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2316 0.454958 155 C s 681 0.450105 46 C s 111 0.434525 8 C s 2946 0.417460 197 C s 561 0.380469 38 C s 351 0.374680 24 C s 2736 0.372824 183 C s 2526 0.364380 169 C s 1251 0.338115 84 C s 951 0.324634 64 C s Vector 839 Occ=0.000000D+00 E= 1.571871D-01 MO Center= -1.5D-01, 1.8D-01, 3.4D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1251 0.391878 84 C s 561 -0.338560 38 C s 816 0.335643 55 C s 576 -0.333264 39 C s 831 -0.304290 56 C s 1026 -0.284485 69 C s 501 -0.273620 34 C s 1116 -0.261536 75 C s 531 -0.259822 36 C s 876 0.258872 59 C s Vector 840 Occ=0.000000D+00 E= 1.573650D-01 MO Center= 1.6D-01, -5.2D-01, 3.3D+00, r^2= 4.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 846 0.387841 57 C s 1176 -0.338638 79 C s 1356 0.315798 91 C s 681 -0.312774 46 C s 1296 -0.308018 87 C s 201 0.300072 14 C s 1491 -0.286452 100 C s 576 0.284714 39 C s 1431 -0.275662 96 C s 6 -0.259605 1 C s Vector 841 Occ=0.000000D+00 E= 1.595884D-01 MO Center= 2.8D-01, -2.2D+00, 1.2D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1131 0.408589 76 C s 1326 -0.381583 89 C s 1836 0.382324 123 C s 1101 0.368558 74 C s 1791 0.345164 120 C s 1266 -0.343364 85 C s 1341 -0.330937 90 C s 1146 0.319849 77 C s 1371 0.313730 92 C s 1746 -0.279965 117 C s Vector 842 Occ=0.000000D+00 E= 1.604530D-01 MO Center= -2.3D-01, 1.8D+00, 1.9D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 96 0.492578 7 C s 171 0.491979 12 C s 6 0.478626 1 C s 606 -0.450979 41 C s 996 -0.406451 67 C s 156 0.380102 11 C s 1611 0.375215 108 C s 306 0.364337 21 C s 336 -0.358927 23 C s 1566 -0.356332 105 C s Vector 843 Occ=0.000000D+00 E= 1.607032D-01 MO Center= -1.3D-01, 1.0D+00, 2.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 186 0.419535 13 C s 261 0.406904 18 C s 246 0.404130 17 C s 591 0.390728 40 C s 201 0.377161 14 C s 1911 0.357024 128 C s 3501 0.353018 234 C s 51 0.327592 4 C s 36 -0.316968 3 C s 1881 0.315772 126 C s Vector 844 Occ=0.000000D+00 E= 1.609198D-01 MO Center= 7.9D-02, 6.5D-01, 3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2901 0.475947 194 C s 231 -0.430024 16 C s 1716 -0.415783 115 C s 291 -0.407788 20 C s 396 -0.398798 27 C s 546 -0.390757 37 C s 381 -0.382122 26 C s 1191 -0.361869 80 C s 2991 0.355182 200 C s 2961 -0.347891 198 C s Vector 845 Occ=0.000000D+00 E= 1.615895D-01 MO Center= 7.1D-01, -1.0D+00, 2.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1281 0.498389 86 C s 2481 -0.500410 166 C s 1416 0.483496 95 C s 1236 0.411400 83 C s 936 -0.376483 63 C s 2541 0.371981 170 C s 1191 -0.363761 80 C s 1026 0.355600 69 C s 3516 0.349524 235 C s 1221 -0.339837 82 C s Vector 846 Occ=0.000000D+00 E= 1.621386D-01 MO Center= 2.0D-01, -2.1D-01, 2.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 981 0.445815 66 C s 1206 0.445233 81 C s 1731 0.426790 116 C s 1101 0.393280 74 C s 1176 0.390219 79 C s 1701 0.362844 114 C s 1521 -0.355797 102 C s 2166 0.357425 145 C s 726 -0.351926 49 C s 1086 0.341822 73 C s Vector 847 Occ=0.000000D+00 E= 1.633567D-01 MO Center= 5.0D-01, -5.4D-01, -6.0D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1851 0.378941 124 C s 1446 0.317539 97 C s 906 0.308636 61 C s 2226 0.309756 149 C s 306 -0.299937 21 C s 1371 -0.300898 92 C s 1761 -0.299273 118 C s 291 0.292186 20 C s 1776 0.277562 119 C s 1101 -0.263572 74 C s Vector 848 Occ=0.000000D+00 E= 1.641736D-01 MO Center= -4.8D-01, 2.8D-01, -3.4D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1581 0.339294 106 C s 2751 0.315035 184 C s 141 0.310167 10 C s 1506 0.301517 101 C s 36 0.293249 3 C s 741 -0.292169 50 C s 3201 0.293597 214 C s 606 -0.267989 41 C s 1671 -0.265358 112 C s 276 0.254299 19 C s Vector 849 Occ=0.000000D+00 E= 1.671415D-01 MO Center= 1.2D-01, 4.9D-02, 5.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 396 0.414474 27 C s 1281 -0.397391 86 C s 906 -0.381836 61 C s 741 0.356816 50 C s 816 0.347699 55 C s 1236 -0.346502 83 C s 1461 0.325750 98 C s 1116 -0.316688 75 C s 2316 -0.318259 155 C s 696 0.312114 47 C s Vector 850 Occ=0.000000D+00 E= 1.675216D-01 MO Center= -3.0D-01, 5.0D-01, 2.9D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2931 -0.406433 196 C s 141 0.372603 10 C s 2946 -0.359818 197 C s 186 -0.337381 13 C s 1266 -0.325740 85 C s 201 -0.323759 14 C s 246 -0.324840 17 C s 471 -0.308660 32 C s 51 -0.306771 4 C s 36 0.301966 3 C s Vector 851 Occ=0.000000D+00 E= 1.681595D-01 MO Center= 5.1D-02, 1.0D-01, -4.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2496 0.494232 167 C s 1581 0.454335 106 C s 366 0.448976 25 C s 1851 0.439750 124 C s 1671 0.406660 112 C s 1401 0.400048 94 C s 1506 0.380109 101 C s 1596 0.357093 107 C s 2286 0.349292 153 C s 1731 -0.345333 116 C s Vector 852 Occ=0.000000D+00 E= 1.686153D-01 MO Center= 5.2D-01, 1.9D-01, -1.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2691 -0.414864 180 C s 2706 -0.393594 181 C s 2916 0.394009 195 C s 1236 0.378629 83 C s 726 -0.368123 49 C s 1311 -0.368258 88 C s 2781 -0.359089 186 C s 3021 0.345685 202 C s 3081 -0.345778 206 C s 216 -0.338920 15 C s Vector 853 Occ=0.000000D+00 E= 1.690346D-01 MO Center= 2.3D-01, -2.8D-02, -6.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2181 0.419777 146 C s 231 0.395252 16 C s 831 -0.383029 56 C s 3201 0.369610 214 C s 966 0.364157 65 C s 2706 0.364364 181 C s 1206 -0.360474 81 C s 1941 0.351783 130 C s 981 -0.344871 66 C s 396 0.336344 27 C s Vector 854 Occ=0.000000D+00 E= 1.706295D-01 MO Center= -6.6D-02, -3.3D-01, 1.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2001 -0.378729 134 C s 2511 -0.363757 168 C s 111 0.355128 8 C s 1836 0.341828 123 C s 1116 0.333969 75 C s 1326 -0.331136 89 C s 2631 0.322455 176 C s 1386 -0.318581 93 C s 1656 -0.316470 111 C s 1866 0.311375 125 C s Vector 855 Occ=0.000000D+00 E= 1.711317D-01 MO Center= -5.7D-02, 5.4D-02, 3.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 351 0.359596 24 C s 2721 0.353838 182 C s 1446 0.322763 97 C s 2841 -0.320676 190 C s 786 -0.316335 53 C s 1176 -0.299874 79 C s 1776 0.292209 119 C s 1746 0.287147 117 C s 1926 -0.287776 129 C s 36 -0.281226 3 C s Vector 856 Occ=0.000000D+00 E= 1.725550D-01 MO Center= -4.2D-01, 1.0D+00, 1.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1806 0.386000 121 C s 1476 -0.339118 99 C s 936 -0.306859 63 C s 1431 0.287162 96 C s 1416 -0.272847 95 C s 2631 0.271653 176 C s 921 0.260357 62 C s 1821 -0.253239 122 C s 561 -0.248308 38 C s 141 0.243578 10 C s Vector 857 Occ=0.000000D+00 E= 1.731893D-01 MO Center= -1.6D-01, -6.4D-01, 9.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 771 0.443368 52 C s 711 0.402161 48 C s 471 0.376470 32 C s 6 -0.366012 1 C s 1566 -0.359948 105 C s 411 0.355997 28 C s 51 0.352894 4 C s 1401 0.342258 94 C s 216 -0.335886 15 C s 966 -0.334863 65 C s Vector 858 Occ=0.000000D+00 E= 1.736496D-01 MO Center= 6.2D-01, 7.0D-01, 5.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 66 0.490125 5 C s 96 0.386504 7 C s 606 -0.381880 41 C s 1656 -0.360280 111 C s 576 0.355268 39 C s 681 0.356178 46 C s 1911 0.352465 128 C s 2691 0.349509 180 C s 1266 -0.340305 85 C s 846 0.331535 57 C s Vector 859 Occ=0.000000D+00 E= 1.736778D-01 MO Center= 9.1D-01, 4.5D-01, -1.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 336 0.353125 23 C s 1716 0.334649 115 C s 981 0.310703 66 C s 666 0.295011 45 C s 126 0.286838 9 C s 1221 -0.277605 82 C s 321 -0.274338 22 C s 1866 -0.274311 125 C s 1191 -0.272890 80 C s 606 0.271182 41 C s Vector 860 Occ=0.000000D+00 E= 1.739826D-01 MO Center= -4.8D-01, -6.4D-01, 7.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1356 0.450503 91 C s 801 0.427836 54 C s 441 0.371503 30 C s 1101 -0.354768 74 C s 1221 0.354633 82 C s 2316 -0.338857 155 C s 2946 0.334723 197 C s 1761 0.327870 118 C s 2301 -0.320319 154 C s 1371 -0.316809 92 C s Vector 861 Occ=0.000000D+00 E= 1.760848D-01 MO Center= -4.5D-01, 2.0D-01, 7.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1161 0.434848 78 C s 501 0.398417 34 C s 726 0.384057 49 C s 246 0.339482 17 C s 411 -0.337878 28 C s 1251 0.338096 84 C s 546 -0.309947 37 C s 846 0.309047 57 C s 1416 0.303929 95 C s 2361 0.304057 158 C s Vector 862 Occ=0.000000D+00 E= 1.763651D-01 MO Center= -3.2D-01, 2.5D-01, 1.1D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 816 -0.407024 55 C s 396 -0.398736 27 C s 6 0.396617 1 C s 1221 -0.361723 82 C s 1116 0.351524 75 C s 456 -0.343148 31 C s 1821 0.324287 122 C s 36 0.320662 3 C s 216 0.286773 15 C s 1641 -0.285768 110 C s Vector 863 Occ=0.000000D+00 E= 1.769163D-01 MO Center= 6.2D-01, -7.9D-02, 3.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1176 0.424859 79 C s 1206 0.384551 81 C s 1281 0.376434 86 C s 3366 -0.333616 225 C s 381 0.327493 26 C s 1731 -0.321856 116 C s 3426 -0.318449 229 C s 3486 -0.310013 233 C s 51 0.304839 4 C s 1641 -0.305706 110 C s Vector 864 Occ=0.000000D+00 E= 1.771105D-01 MO Center= -2.8D-01, -4.2D-01, -5.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1371 0.443223 92 C s 1101 0.319159 74 C s 1551 0.306227 104 C s 3066 -0.285326 205 C s 1026 -0.272374 69 C s 1986 -0.271607 133 C s 3246 -0.271330 217 C s 2406 -0.263702 161 C s 486 -0.257445 33 C s 2751 -0.255324 184 C s Vector 865 Occ=0.000000D+00 E= 1.782040D-01 MO Center= 1.0D+00, -1.3D+00, 1.0D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 936 0.446439 63 C s 1476 0.397742 99 C s 906 0.379757 61 C s 1191 0.315753 80 C s 771 -0.296413 52 C s 1431 -0.288873 96 C s 1236 0.284907 83 C s 471 -0.272820 32 C s 231 -0.268580 16 C s 1686 0.267434 113 C s Vector 866 Occ=0.000000D+00 E= 1.785856D-01 MO Center= 1.3D+00, 1.1D+00, 7.9D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 336 0.506898 23 C s 666 0.479615 45 C s 1911 0.359440 128 C s 516 -0.328981 35 C s 2721 0.294659 182 C s 306 0.267248 21 C s 1896 -0.263441 127 C s 36 -0.261670 3 C s 216 -0.250083 15 C s 606 0.251077 41 C s Vector 867 Occ=0.000000D+00 E= 1.797356D-01 MO Center= -9.0D-01, -5.5D-01, 1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 441 -0.425672 30 C s 591 0.414497 40 C s 426 0.399348 29 C s 771 -0.374653 52 C s 1236 0.369684 83 C s 741 -0.362788 50 C s 2421 -0.362273 162 C s 411 -0.350999 28 C s 1341 -0.351547 90 C s 1626 0.330610 109 C s Vector 868 Occ=0.000000D+00 E= 1.797720D-01 MO Center= -4.4D-01, -1.6D-01, 5.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1266 0.395663 85 C s 1371 0.340508 92 C s 306 -0.292332 21 C s 1596 0.292895 107 C s 1041 -0.289432 70 C s 2301 -0.290518 154 C s 1311 0.285419 88 C s 1971 -0.285360 132 C s 651 0.282288 44 C s 351 0.277732 24 C s Vector 869 Occ=0.000000D+00 E= 1.810825D-01 MO Center= -2.8D-01, -5.2D-02, 2.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1146 0.435181 77 C s 516 0.409511 35 C s 291 -0.357331 20 C s 696 0.353294 47 C s 1296 0.351237 87 C s 3096 -0.336378 207 C s 231 -0.319744 16 C s 2391 -0.319812 160 C s 711 -0.313386 48 C s 1791 -0.314202 120 C s Vector 870 Occ=0.000000D+00 E= 1.812855D-01 MO Center= -3.8D-01, -1.0D-01, 1.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 171 0.417824 12 C s 3216 -0.352282 215 C s 3531 0.352424 236 C s 1521 0.347281 102 C s 216 0.333907 15 C s 996 -0.327132 67 C s 831 0.320287 56 C s 531 0.318603 36 C s 1731 0.316204 116 C s 3591 -0.308354 240 C s Vector 871 Occ=0.000000D+00 E= 1.854876D-01 MO Center= 3.0D-01, 2.3D-01, -1.5D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2226 0.347669 149 C s 2631 -0.344641 176 C s 2841 0.342987 190 C s 2541 -0.334372 170 C s 111 0.324262 8 C s 1656 -0.308944 111 C s 1746 0.307081 117 C s 351 -0.300825 24 C s 2001 -0.287582 134 C s 3576 0.273818 239 C s Vector 872 Occ=0.000000D+00 E= 1.860052D-01 MO Center= 3.8D-01, 6.4D-02, -5.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1386 0.337645 93 C s 1461 -0.330317 98 C s 1926 0.308322 129 C s 2931 0.306981 196 C s 2961 -0.302731 198 C s 231 0.275219 16 C s 2616 0.273738 175 C s 951 -0.263577 64 C s 2106 0.259280 141 C s 2751 0.251292 184 C s Vector 873 Occ=0.000000D+00 E= 1.863990D-01 MO Center= 4.3D-01, -2.7D-01, -6.1D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2421 0.321516 162 C s 651 0.314966 44 C s 1026 0.275148 69 C s 1071 0.274722 72 C s 891 0.267484 60 C s 1116 0.267405 75 C s 2076 0.258919 139 C s 2856 0.259693 191 C s 2601 0.257469 174 C s 3141 -0.252667 210 C s Vector 874 Occ=0.000000D+00 E= 1.865464D-01 MO Center= -6.7D-01, 4.0D-01, -1.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2826 -0.271591 189 C s 846 0.269830 57 C s 36 0.250729 3 C s 876 0.249083 59 C s 51 -0.244034 4 C s 1416 -0.243576 95 C s 3456 0.238131 231 C s 2076 0.234706 139 C s 1071 0.232186 72 C s 1206 -0.232486 81 C s Vector 875 Occ=0.000000D+00 E= 1.873229D-01 MO Center= 6.2D-01, -3.9D-02, -3.8D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3276 0.284860 219 C s 2916 0.267236 195 C s 3036 -0.266114 203 C s 3081 0.250391 206 C s 726 0.247580 49 C s 1101 -0.241183 74 C s 3051 0.226553 204 C s 1056 -0.220206 71 C s 2451 -0.219800 164 C s 801 -0.216320 54 C s Vector 876 Occ=0.000000D+00 E= 1.880994D-01 MO Center= -9.7D-01, -3.2D-01, -3.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2091 0.336944 140 C s 2106 0.335067 141 C s 861 0.308779 58 C s 2031 -0.285584 136 C s 2286 0.284104 153 C s 456 -0.282070 31 C s 3216 0.273498 215 C s 2181 -0.251651 146 C s 81 -0.245304 6 C s 2271 -0.246178 152 C s Vector 877 Occ=0.000000D+00 E= 1.884541D-01 MO Center= -7.1D-02, -6.2D-01, -4.0D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 756 0.271928 51 C s 3201 0.268461 214 C s 51 0.262785 4 C s 1311 -0.250379 88 C s 3111 -0.250871 208 C s 2301 -0.242205 154 C s 2121 -0.237144 142 C s 246 -0.234300 17 C s 546 0.231308 37 C s 1881 -0.229516 126 C s Vector 878 Occ=0.000000D+00 E= 1.897377D-01 MO Center= -8.0D-01, -6.2D-03, -6.3D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3413 0.325001 228 C py 3533 0.316500 236 C py 81 0.313304 6 C s 3471 0.300696 232 C s 2466 -0.290736 165 C s 3593 0.285338 240 C py 2286 0.282943 153 C s 3261 0.275337 218 C s 696 -0.270984 47 C s 2046 0.263390 137 C s Vector 879 Occ=0.000000D+00 E= 1.915594D-01 MO Center= -8.5D-01, -1.6D-01, -5.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1641 0.384688 110 C s 471 0.315484 32 C s 3156 -0.308074 211 C s 156 -0.306014 11 C s 2451 -0.295455 164 C s 3546 0.282142 237 C s 1326 0.272694 89 C s 2136 -0.265422 143 C s 3306 0.265913 221 C s 1611 0.255107 108 C s Vector 880 Occ=0.000000D+00 E= 1.920242D-01 MO Center= 7.0D-01, 6.6D-01, -1.5D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2871 0.364877 192 C s 3426 -0.347129 229 C s 3486 -0.318435 233 C s 2991 -0.289057 200 C s 2916 -0.284274 195 C s 2781 -0.279568 186 C s 2691 -0.250613 180 C s 996 -0.249190 67 C s 1911 -0.240554 128 C s 2721 0.232111 182 C s Vector 881 Occ=0.000000D+00 E= 1.921448D-01 MO Center= -2.6D-01, -2.5D-01, -3.3D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2136 -0.331739 143 C s 3216 -0.328216 215 C s 3366 0.318791 225 C s 1011 -0.310884 68 C s 276 0.308188 19 C s 1086 -0.309231 73 C s 3306 0.296597 221 C s 1761 0.290889 118 C s 2856 0.285711 191 C s 2271 0.273214 152 C s Vector 882 Occ=0.000000D+00 E= 1.926009D-01 MO Center= -7.0D-01, -5.1D-02, -9.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2151 0.429721 144 C s 2676 -0.333430 179 C s 1701 0.319917 114 C s 3516 -0.303007 235 C s 771 0.296319 52 C s 1776 -0.291091 119 C s 1341 -0.288666 90 C s 3546 -0.286102 237 C s 3531 -0.273374 236 C s 2646 0.271748 177 C s Vector 883 Occ=0.000000D+00 E= 1.937473D-01 MO Center= 7.1D-01, -1.1D-01, 8.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2046 0.357819 137 C s 863 0.338275 58 C py 876 0.317851 59 C s 1146 -0.312911 77 C s 2466 -0.304609 165 C s 171 0.297626 12 C s 548 0.290052 37 C py 1776 0.286178 119 C s 531 -0.278055 36 C s 576 -0.271461 39 C s Vector 884 Occ=0.000000D+00 E= 1.941954D-01 MO Center= 2.7D-01, -4.8D-01, 8.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1506 0.390520 101 C s 696 -0.327994 47 C s 1866 -0.316417 125 C s 2421 -0.312364 162 C s 3066 -0.307430 205 C s 456 -0.294954 31 C s 1806 0.294554 121 C s 1716 -0.279080 115 C s 2796 0.254875 187 C s 1791 0.245903 120 C s Vector 885 Occ=0.000000D+00 E= 1.948388D-01 MO Center= 3.2D-01, 3.8D-01, 7.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1596 0.373223 107 C s 1896 0.373768 127 C s 2841 0.354569 190 C s 2556 -0.336722 171 C s 1536 -0.326671 103 C s 1926 0.321754 129 C s 1461 0.276659 98 C s 1191 -0.269187 80 C s 2301 -0.270149 154 C s 6 -0.261210 1 C s Vector 886 Occ=0.000000D+00 E= 1.954946D-01 MO Center= 5.0D-01, -3.9D-01, -9.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1821 -0.356647 122 C s 1731 0.353506 116 C s 1476 -0.326028 99 C s 3591 0.321501 240 C s 2586 0.315862 173 C s 1056 -0.312242 71 C s 2241 -0.309621 150 C s 3291 -0.297543 220 C s 3531 -0.288600 236 C s 1596 0.284112 107 C s Vector 887 Occ=0.000000D+00 E= 1.960117D-01 MO Center= 1.4D-01, 1.9D-02, -1.6D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1551 0.397875 104 C s 3351 -0.359693 224 C s 2061 0.351142 138 C s 1641 -0.347608 110 C s 3411 0.323534 228 C s 666 -0.321675 45 C s 1956 -0.311242 131 C s 2646 -0.309937 177 C s 2376 -0.296358 159 C s 1866 0.294370 125 C s Vector 888 Occ=0.000000D+00 E= 1.968170D-01 MO Center= 3.2D-01, 3.1D-01, 1.2D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1566 0.384687 105 C s 1866 0.377643 125 C s 1686 0.352990 113 C s 546 -0.341096 37 C s 1716 0.328281 115 C s 1746 0.317473 117 C s 501 0.300234 34 C s 2931 -0.287814 196 C s 1506 0.279555 101 C s 2766 -0.271769 185 C s Vector 889 Occ=0.000000D+00 E= 1.974423D-01 MO Center= -4.7D-01, 2.8D-01, 7.3D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1716 0.328055 115 C s 1896 0.307322 127 C s 381 -0.286854 26 C s 486 0.281438 33 C s 1626 0.265633 109 C s 2226 -0.262389 149 C s 2901 0.254990 194 C s 1176 0.251696 79 C s 66 0.236576 5 C s 2211 -0.232684 148 C s Vector 890 Occ=0.000000D+00 E= 2.012505D-01 MO Center= -6.1D-02, 6.0D-02, -4.0D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2046 0.500623 137 C s 1806 -0.426178 121 C s 2676 -0.421103 179 C s 3081 -0.395384 206 C s 3201 0.391622 214 C s 1626 0.368322 109 C s 1566 0.358319 105 C s 21 0.353485 2 C s 2976 -0.349997 199 C s 1836 -0.341295 123 C s Vector 891 Occ=0.000000D+00 E= 2.014646D-01 MO Center= -3.1D-01, -1.8D-01, -5.8D-03, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1716 0.423598 115 C s 1161 -0.418101 78 C s 1926 -0.392269 129 C s 1041 0.385652 70 C s 2151 0.376270 144 C s 3141 0.377199 210 C s 1536 -0.369604 103 C s 2886 -0.364491 193 C s 2346 -0.358505 157 C s 3561 0.342390 238 C s Vector 892 Occ=0.000000D+00 E= 2.025240D-01 MO Center= 3.9D-01, -2.0D-01, 1.6D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 321 0.502100 22 C s 846 -0.403315 57 C s 681 -0.400953 46 C s 1326 0.396917 89 C s 1356 0.381646 91 C s 621 0.338107 42 C s 426 0.334717 29 C s 576 -0.327490 39 C s 981 -0.309974 66 C s 1506 -0.301222 101 C s Vector 893 Occ=0.000000D+00 E= 2.027565D-01 MO Center= 5.8D-01, 1.7D-01, 9.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1776 0.403313 119 C s 576 0.387031 39 C s 2751 0.381469 184 C s 1011 -0.376270 68 C s 876 -0.363018 59 C s 81 -0.330818 6 C s 1416 0.331027 95 C s 1746 0.319796 117 C s 291 -0.308833 20 C s 1491 0.308533 100 C s Vector 894 Occ=0.000000D+00 E= 2.036063D-01 MO Center= -4.6D-03, 4.0D-01, 4.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2331 0.394859 156 C s 1431 0.359454 96 C s 156 0.354257 11 C s 276 -0.344077 19 C s 561 -0.327490 38 C s 1416 -0.326909 95 C s 621 -0.303304 42 C s 381 0.301599 26 C s 1596 0.295522 107 C s 2376 -0.292003 159 C s Vector 895 Occ=0.000000D+00 E= 2.041247D-01 MO Center= 2.4D-03, 4.5D-01, -8.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1956 0.407039 131 C s 2661 -0.373034 178 C s 261 0.343025 18 C s 2121 -0.333993 142 C s 1791 0.325388 120 C s 3306 -0.319618 221 C s 3486 0.314748 233 C s 1686 0.302848 113 C s 1866 -0.284034 125 C s 2646 0.275664 177 C s Vector 896 Occ=0.000000D+00 E= 2.049031D-01 MO Center= -8.2D-02, 1.7D-01, -4.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1131 0.436899 76 C s 1041 0.417947 70 C s 1716 0.397333 115 C s 2811 -0.389306 188 C s 2031 0.384023 136 C s 2856 -0.377973 191 C s 3126 0.372946 209 C s 891 -0.369867 60 C s 2136 -0.366360 143 C s 1836 -0.351516 123 C s Vector 897 Occ=0.000000D+00 E= 2.050549D-01 MO Center= 4.4D-01, -8.6D-01, 2.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1251 0.463080 84 C s 921 -0.414115 62 C s 2661 0.399387 178 C s 2241 0.394032 150 C s 2421 0.383522 162 C s 2451 -0.369494 164 C s 546 -0.343360 37 C s 486 0.330435 33 C s 1566 0.331032 105 C s 2601 0.329935 174 C s Vector 898 Occ=0.000000D+00 E= 2.055604D-01 MO Center= -5.9D-01, -4.6D-01, -4.6D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2436 0.473212 163 C s 2136 -0.386304 143 C s 2871 0.355597 192 C s 1926 0.351102 129 C s 1536 -0.346299 103 C s 3246 -0.342828 217 C s 21 -0.330920 2 C s 726 -0.328445 49 C s 2391 0.320240 160 C s 1506 0.318220 101 C s Vector 899 Occ=0.000000D+00 E= 2.077999D-01 MO Center= -4.8D-01, -4.7D-01, 1.5D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1296 -0.257656 87 C s 1371 -0.251447 92 C s 111 0.245258 8 C s 441 -0.238812 30 C s 411 -0.236739 28 C s 1311 0.237829 88 C s 1611 -0.229915 108 C s 3591 0.229731 240 C s 246 0.223024 17 C s 501 0.213500 34 C s Vector 900 Occ=0.000000D+00 E= 2.081027D-01 MO Center= 6.0D-01, 7.9D-01, 1.2D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 831 0.265796 56 C s 96 0.260996 7 C s 1101 0.259188 74 C s 336 -0.257472 23 C s 591 -0.250002 40 C s 1056 0.247543 71 C s 3231 0.239960 216 C s 306 -0.220145 21 C s 141 0.217444 10 C s 1236 -0.212669 83 C s Vector 901 Occ=0.000000D+00 E= 2.094673D-01 MO Center= -9.1D-01, 7.2D-01, -1.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 291 0.450545 20 C s 171 0.405811 12 C s 3351 -0.407144 224 C s 3591 -0.401820 240 C s 1251 0.399324 84 C s 1506 0.385020 101 C s 3531 -0.386726 236 C s 3471 -0.361214 232 C s 846 0.349256 57 C s 1521 0.342725 102 C s Vector 902 Occ=0.000000D+00 E= 2.100701D-01 MO Center= 1.1D-01, -3.4D-01, -7.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 996 0.439358 67 C s 1341 0.373543 90 C s 3531 -0.307123 236 C s 606 0.300536 41 C s 681 0.292377 46 C s 3471 -0.283810 232 C s 3366 0.282090 225 C s 3411 -0.277977 228 C s 2151 0.261701 144 C s 2406 -0.262402 161 C s Vector 903 Occ=0.000000D+00 E= 2.102090D-01 MO Center= -4.7D-01, -1.5D-01, -6.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1146 0.452758 77 C s 171 -0.391909 12 C s 1686 0.327074 113 C s 1341 0.304512 90 C s 1191 0.297333 80 C s 786 -0.278542 53 C s 2856 -0.270338 191 C s 741 0.258833 50 C s 6 -0.251785 1 C s 1701 0.232882 114 C s Vector 904 Occ=0.000000D+00 E= 2.108334D-01 MO Center= -1.0D-01, 3.6D-02, -3.0D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1686 0.354222 113 C s 2046 -0.349160 137 C s 291 0.334495 20 C s 996 -0.294967 67 C s 186 -0.287618 13 C s 2466 0.287040 165 C s 1042 0.284207 70 C px 1491 0.276462 100 C s 1866 -0.267823 125 C s 1266 -0.262759 85 C s Vector 905 Occ=0.000000D+00 E= 2.111145D-01 MO Center= 3.2D-01, -3.7D-01, -8.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3486 0.381229 233 C s 1146 0.370743 77 C s 1776 0.362968 119 C s 2886 0.349404 193 C s 2151 -0.325929 144 C s 3411 -0.327450 228 C s 261 -0.323889 18 C s 2676 0.317246 179 C s 891 0.313545 60 C s 486 -0.311916 33 C s Vector 906 Occ=0.000000D+00 E= 2.153862D-01 MO Center= 1.1D-02, -3.1D-01, 1.2D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 696 0.384455 47 C s 1491 0.375174 100 C s 546 0.322494 37 C s 1401 -0.314432 94 C s 2376 -0.310937 159 C s 471 -0.295642 32 C s 2076 -0.296110 139 C s 861 0.294518 58 C s 2886 -0.294865 193 C s 1161 0.288661 78 C s Vector 907 Occ=0.000000D+00 E= 2.158692D-01 MO Center= -5.1D-02, -6.8D-01, 1.1D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 891 0.315962 60 C s 366 -0.302268 25 C s 1026 -0.287164 69 C s 1701 -0.279404 114 C s 1791 -0.278418 120 C s 171 0.275485 12 C s 2211 0.267168 148 C s 981 0.262783 66 C s 186 0.258745 13 C s 2151 -0.255353 144 C s Vector 908 Occ=0.000000D+00 E= 2.166671D-01 MO Center= -5.5D-01, 5.4D-01, 7.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 696 0.407818 47 C s 531 0.395226 36 C s 1521 -0.384635 102 C s 486 0.379936 33 C s 2811 -0.333431 188 C s 1776 0.322426 119 C s 3441 -0.320624 230 C s 2136 0.292654 143 C s 2376 -0.285189 159 C s 1506 0.281235 101 C s Vector 909 Occ=0.000000D+00 E= 2.168004D-01 MO Center= 6.2D-01, 3.8D-01, 4.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 861 0.459126 58 C s 1686 0.417368 113 C s 3471 -0.388465 232 C s 546 0.364788 37 C s 1881 -0.343218 126 C s 2871 -0.333318 192 C s 1596 -0.313654 107 C s 3501 -0.305697 234 C s 2796 -0.296173 187 C s 3561 0.296492 238 C s Vector 910 Occ=0.000000D+00 E= 2.172953D-01 MO Center= 4.2D-01, -1.3D-01, 7.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 876 0.537992 59 C s 1866 0.427575 125 C s 531 0.389407 36 C s 546 0.343854 37 C s 2586 -0.335021 173 C s 1596 0.312345 107 C s 96 -0.302712 7 C s 2061 -0.283005 138 C s 3351 -0.282977 224 C s 1281 -0.279826 86 C s Vector 911 Occ=0.000000D+00 E= 2.210394D-01 MO Center= -8.5D-01, -5.2D-02, -1.4D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2871 0.308233 192 C s 201 0.291079 14 C s 2766 -0.283036 185 C s 2061 0.269413 138 C s 3111 -0.266379 208 C s 3231 -0.267476 216 C s 3456 0.263416 231 C s 2992 -0.261211 200 C px 3022 -0.258469 202 C px 3441 -0.258635 230 C s Vector 912 Occ=0.000000D+00 E= 2.218808D-01 MO Center= 5.0D-01, 2.0D-01, -9.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3576 0.377641 239 C s 3156 -0.368616 211 C s 3216 0.354071 215 C s 1986 -0.335580 133 C s 1566 0.323447 105 C s 1536 0.319226 103 C s 1926 -0.317400 129 C s 1821 -0.309010 122 C s 2976 -0.299860 199 C s 21 0.296746 2 C s Vector 913 Occ=0.000000D+00 E= 2.221664D-01 MO Center= -7.9D-01, -4.6D-02, -1.5D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2556 0.382356 171 C s 3096 0.363777 207 C s 1626 -0.337383 109 C s 2676 -0.335861 179 C s 3488 0.335637 233 C py 3501 0.331311 234 C s 2256 0.314148 151 C s 3036 -0.312732 203 C s 3261 -0.308748 218 C s 3456 0.305818 231 C s Vector 914 Occ=0.000000D+00 E= 2.228307D-01 MO Center= 3.2D-01, -1.3D-01, -2.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3276 -0.361624 219 C s 1971 0.349695 132 C s 2106 0.345303 141 C s 3336 -0.331888 223 C s 1071 0.305868 72 C s 1806 0.294231 121 C s 1824 -0.285333 122 C pz 3081 -0.279153 206 C s 2376 -0.271945 159 C s 1641 -0.266025 110 C s Vector 915 Occ=0.000000D+00 E= 2.241024D-01 MO Center= 2.6D-01, -3.9D-01, 1.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2796 0.348123 187 C s 1401 -0.298159 94 C s 696 0.283589 47 C s 1956 0.275555 131 C s 2706 0.275291 181 C s 636 -0.264673 43 C s 1461 -0.264071 98 C s 741 -0.260532 50 C s 1146 -0.261788 77 C s 2076 -0.257472 139 C s Vector 916 Occ=0.000000D+00 E= 2.247957D-01 MO Center= 2.1D-01, 3.9D-01, -7.9D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2286 0.416421 153 C s 1056 -0.362693 71 C s 2061 0.341032 138 C s 2916 0.329709 195 C s 441 -0.319138 30 C s 3546 0.288538 237 C s 1446 -0.286557 97 C s 2181 0.284158 146 C s 1266 -0.280379 85 C s 906 -0.275532 61 C s Vector 917 Occ=0.000000D+00 E= 2.294850D-01 MO Center= -3.5D-01, 6.3D-01, -2.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 111 0.411492 8 C s 51 0.364037 4 C s 2901 -0.359485 194 C s 1701 0.324168 114 C s 1056 -0.307635 71 C s 3546 -0.307598 237 C s 2496 0.303770 167 C s 2601 -0.298867 174 C s 2016 -0.296914 135 C s 2451 0.298065 164 C s Vector 918 Occ=0.000000D+00 E= 2.299120D-01 MO Center= 1.4D+00, -1.4D-01, -1.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2856 -0.413119 191 C s 1611 0.395641 108 C s 2391 -0.396640 160 C s 1461 0.391054 98 C s 1101 0.387819 74 C s 2901 -0.381837 194 C s 1881 0.376198 126 C s 2361 -0.353712 158 C s 3021 0.349545 202 C s 3576 0.345353 239 C s Vector 919 Occ=0.000000D+00 E= 2.301567D-01 MO Center= -6.3D-01, -1.4D-01, 3.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2646 0.402702 177 C s 456 0.393238 31 C s 1701 0.362966 114 C s 6 0.344997 1 C s 2196 -0.337726 147 C s 3516 0.335595 235 C s 696 -0.328493 47 C s 1161 -0.326319 78 C s 2796 0.323629 187 C s 2091 -0.321864 140 C s Vector 920 Occ=0.000000D+00 E= 2.302504D-01 MO Center= 1.3D-01, -4.2D-01, -3.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1521 0.494171 102 C s 3336 0.439356 223 C s 2436 -0.435744 163 C s 2271 -0.422180 152 C s 1191 0.406088 80 C s 2781 -0.397859 186 C s 2016 -0.394255 135 C s 2376 0.382530 159 C s 936 0.374638 63 C s 3126 0.363516 209 C s Vector 921 Occ=0.000000D+00 E= 2.305343D-01 MO Center= -6.0D-01, 1.5D-01, 3.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3456 0.346350 231 C s 577 -0.314897 39 C px 3441 -0.303036 230 C s 591 0.297786 40 C s 141 -0.291334 10 C s 231 -0.286781 16 C s 1791 0.282712 120 C s 2571 -0.282761 172 C s 3201 0.278567 214 C s 2346 0.269170 157 C s Vector 922 Occ=0.000000D+00 E= 2.308366D-01 MO Center= -3.6D-01, 5.2D-01, 5.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3246 0.418912 217 C s 3291 -0.412809 220 C s 1086 -0.400527 73 C s 186 0.394551 13 C s 171 -0.352559 12 C s 2451 0.352176 164 C s 471 0.345169 32 C s 2076 0.337809 139 C s 1641 0.319646 110 C s 2181 0.318308 146 C s Vector 923 Occ=0.000000D+00 E= 2.313422D-01 MO Center= 2.7D-01, -4.5D-01, 3.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1491 0.462125 100 C s 1911 0.448389 128 C s 66 -0.415894 5 C s 666 0.406258 45 C s 1371 0.404574 92 C s 2211 -0.405118 148 C s 651 -0.391929 44 C s 2916 0.389193 195 C s 486 0.362842 33 C s 996 0.363365 67 C s Vector 924 Occ=0.000000D+00 E= 2.322573D-01 MO Center= -5.4D-01, -9.2D-02, 4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1731 0.442722 116 C s 3471 -0.422868 232 C s 1026 -0.378381 69 C s 3501 -0.372926 234 C s 2946 -0.362956 197 C s 531 -0.351884 36 C s 711 0.353573 48 C s 891 0.349015 60 C s 1161 -0.334455 78 C s 2886 0.328899 193 C s Vector 925 Occ=0.000000D+00 E= 2.341699D-01 MO Center= -3.8D-01, -3.3D-02, 7.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 981 0.350826 66 C s 561 -0.283347 38 C s 426 0.269840 29 C s 3096 -0.247664 207 C s 2301 0.236537 154 C s 1748 0.234447 117 C py 36 -0.232771 3 C s 517 0.233076 35 C px 1251 0.230902 84 C s 2421 -0.230882 162 C s Vector 926 Occ=0.000000D+00 E= 2.357901D-01 MO Center= 4.3D-01, -1.3D-01, 1.4D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1313 -0.258976 88 C py 233 -0.255721 16 C py 681 0.241985 46 C s 21 0.239044 2 C s 593 -0.235474 40 C py 1119 -0.234951 75 C pz 1146 -0.230964 77 C s 713 -0.223455 48 C py 1716 0.222967 115 C s 1478 0.221303 99 C py Vector 927 Occ=0.000000D+00 E= 2.382319D-01 MO Center= 2.9D-01, -4.5D-01, -4.4D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1824 0.278942 122 C pz 1479 0.266444 99 C pz 1326 0.255977 89 C s 3276 -0.250063 219 C s 2886 -0.247925 193 C s 2514 0.240446 168 C pz 129 0.237488 9 C pz 2274 0.216292 152 C pz 2169 -0.207786 145 C pz 1809 0.206683 121 C pz Vector 928 Occ=0.000000D+00 E= 2.383473D-01 MO Center= 4.7D-01, 1.8D-01, 7.9D-03, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 69 0.241583 5 C pz 969 -0.239467 65 C pz 2919 0.232344 195 C pz 2694 -0.219941 180 C pz 2979 0.215209 199 C pz 1404 0.212502 94 C pz 2934 0.210707 196 C pz 2904 0.209645 194 C pz 1854 0.201524 124 C pz 2739 -0.195876 183 C pz Vector 929 Occ=0.000000D+00 E= 2.399616D-01 MO Center= -5.0D-01, 5.1D-01, -1.7D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3591 0.562937 240 C s 2046 0.456294 137 C s 2121 0.430569 142 C s 2151 0.404362 144 C s 2676 0.396879 179 C s 2886 0.396198 193 C s 3531 0.385706 236 C s 3351 0.373712 224 C s 156 -0.359064 11 C s 2436 0.357762 163 C s Vector 930 Occ=0.000000D+00 E= 2.409603D-01 MO Center= 6.6D-01, 1.1D-01, -6.0D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 276 0.445718 19 C s 3411 0.422181 228 C s 3096 -0.396329 207 C s 1011 -0.383518 68 C s 861 0.361051 58 C s 3216 0.344090 215 C s 381 0.336769 26 C s 1521 0.333111 102 C s 2451 0.332936 164 C s 1356 -0.327619 91 C s Vector 931 Occ=0.000000D+00 E= 2.416848D-01 MO Center= -3.4D-01, -7.2D-01, 5.2D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 156 0.531873 11 C s 1131 -0.511844 76 C s 3156 -0.457453 211 C s 3471 0.424406 232 C s 696 0.417956 47 C s 1686 0.350173 113 C s 3036 0.346005 203 C s 2826 -0.343295 189 C s 756 -0.340663 51 C s 216 -0.318423 15 C s Vector 932 Occ=0.000000D+00 E= 2.433673D-01 MO Center= -2.3D-01, 1.2D-01, 1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1251 0.654212 84 C s 1326 0.517865 89 C s 246 -0.508038 17 C s 2931 0.466371 196 C s 201 -0.456567 14 C s 3546 -0.457453 237 C s 156 -0.425963 11 C s 756 -0.424631 51 C s 6 0.406807 1 C s 1266 -0.408497 85 C s Vector 933 Occ=0.000000D+00 E= 2.437860D-01 MO Center= -1.4D-01, 1.4D-01, 1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 681 0.580018 46 C s 846 -0.534301 57 C s 1131 0.513857 76 C s 231 -0.473411 16 C s 606 0.452949 41 C s 1746 -0.436442 117 C s 1011 -0.429968 68 C s 2841 0.425258 190 C s 3306 -0.425621 221 C s 3486 0.410312 233 C s Vector 934 Occ=0.000000D+00 E= 2.441627D-01 MO Center= 3.5D-01, -3.9D-01, 1.0D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1926 0.577041 129 C s 561 0.524721 38 C s 2601 -0.506297 174 C s 2106 -0.467495 141 C s 501 0.460824 34 C s 726 0.412950 49 C s 3366 -0.397091 225 C s 171 -0.387194 12 C s 2616 0.377985 175 C s 906 0.374680 61 C s Vector 935 Occ=0.000000D+00 E= 2.447351D-01 MO Center= 2.4D-01, -8.1D-02, 9.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1281 0.593631 86 C s 1116 0.522496 75 C s 1176 -0.476525 79 C s 921 0.442062 62 C s 1161 -0.419812 78 C s 726 -0.404355 49 C s 1536 0.402413 103 C s 1566 0.394316 105 C s 2406 -0.390081 161 C s 291 -0.386532 20 C s Vector 936 Occ=0.000000D+00 E= 2.454026D-01 MO Center= -7.4D-02, 3.8D-01, 1.0D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 321 0.471302 22 C s 1206 0.472022 81 C s 1626 0.437463 109 C s 1146 -0.418410 77 C s 2061 -0.413885 138 C s 1176 0.408962 79 C s 1836 0.399746 123 C s 1416 -0.394249 95 C s 2616 -0.383904 175 C s 1656 0.381886 111 C s Vector 937 Occ=0.000000D+00 E= 2.487320D-01 MO Center= -3.2D-02, 1.3D-01, 1.4D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 141 0.558010 10 C s 6 -0.480456 1 C s 411 -0.473958 28 C s 1191 -0.474991 80 C s 306 0.469384 21 C s 906 0.469501 61 C s 1266 0.463267 85 C s 1296 -0.450919 87 C s 1101 -0.446799 74 C s 606 -0.436780 41 C s Vector 938 Occ=0.000000D+00 E= 2.510429D-01 MO Center= 1.1D-01, 7.2D-01, 4.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 351 0.573937 24 C s 2946 0.549260 197 C s 2736 -0.514169 183 C s 111 -0.506310 8 C s 231 -0.493847 16 C s 711 0.489199 48 C s 216 -0.447261 15 C s 456 0.438744 31 C s 591 0.426699 40 C s 126 0.423474 9 C s Vector 939 Occ=0.000000D+00 E= 2.533609D-01 MO Center= -1.2D-02, -6.8D-01, 4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1221 0.561212 82 C s 951 0.529178 64 C s 1386 -0.522273 93 C s 1311 -0.518365 88 C s 2211 0.513065 148 C s 2316 -0.482437 155 C s 3516 -0.449420 235 C s 1461 0.431091 98 C s 786 0.425561 53 C s 1296 -0.414487 87 C s Vector 940 Occ=0.000000D+00 E= 2.542622D-01 MO Center= 1.1D-02, -1.6D-01, 1.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1371 0.562679 92 C s 2166 -0.526151 145 C s 336 -0.495201 23 C s 636 0.488356 43 C s 1941 -0.444673 130 C s 2916 -0.445299 195 C s 471 0.438132 32 C s 96 -0.411836 7 C s 126 0.405454 9 C s 1401 -0.405397 94 C s Vector 941 Occ=0.000000D+00 E= 2.546552D-01 MO Center= -4.8D-02, -5.5D-02, -2.1D-03, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 936 0.589912 63 C s 2271 0.503177 152 C s 771 -0.499669 52 C s 1446 -0.496435 97 C s 2286 -0.480369 153 C s 801 0.474146 54 C s 36 0.453261 3 C s 2481 -0.451091 166 C s 1911 -0.435811 128 C s 3261 -0.424727 218 C s Vector 942 Occ=0.000000D+00 E= 2.579191D-01 MO Center= -1.8D-02, 1.8D-01, -2.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1866 0.487150 125 C s 1521 0.470256 102 C s 1506 -0.442984 101 C s 2016 0.428445 135 C s 1611 -0.423040 108 C s 2976 -0.414617 199 C s 486 -0.409520 33 C s 1041 -0.402952 70 C s 2121 -0.401780 142 C s 2076 -0.397332 139 C s Vector 943 Occ=0.000000D+00 E= 2.582415D-01 MO Center= 2.9D-02, -2.9D-01, -2.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1791 0.533591 120 C s 1686 0.504046 113 C s 2646 0.456970 177 C s 1776 -0.438415 119 C s 891 -0.435405 60 C s 2241 0.435620 150 C s 186 0.424025 13 C s 261 -0.423653 18 C s 1956 -0.418758 131 C s 1881 -0.415511 126 C s Vector 944 Occ=0.000000D+00 E= 2.596320D-01 MO Center= -1.5D-01, 1.0D-01, 4.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 157 0.282509 11 C px 577 0.255537 39 C px 592 0.251688 40 C px 518 0.239988 35 C py 3577 0.234488 239 C px 232 0.232854 16 C px 202 0.223817 14 C px 3322 0.224427 222 C px 397 0.216725 27 C px 1881 -0.216936 126 C s Vector 945 Occ=0.000000D+00 E= 2.610378D-01 MO Center= -2.6D-02, -1.1D-01, -7.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2676 0.580605 179 C s 2046 0.576984 137 C s 2466 0.577371 165 C s 2151 0.558188 144 C s 2886 0.559616 193 C s 1341 -0.490267 90 C s 3546 0.463352 237 C s 1146 -0.456285 77 C s 3306 0.453491 221 C s 3486 0.450530 233 C s Vector 946 Occ=0.000000D+00 E= 2.620794D-01 MO Center= -1.3D-02, -1.6D-02, 6.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 248 0.270892 17 C py 503 0.269499 34 C py 563 0.251446 38 C py 278 0.245143 19 C py 444 0.240141 30 C pz 2499 0.239459 167 C pz 1478 0.222061 99 C py 143 0.219406 10 C py 2559 0.216234 171 C pz 2484 0.214657 166 C pz Vector 947 Occ=0.000000D+00 E= 2.637439D-01 MO Center= 1.4D-01, -5.5D-03, 5.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2919 -0.244720 195 C pz 639 0.242944 43 C pz 1449 -0.239939 97 C pz 1374 0.229248 92 C pz 2274 0.226168 152 C pz 1177 0.210739 79 C px 1282 0.210031 86 C px 67 0.205035 5 C px 788 -0.204632 53 C py 2709 0.199356 181 C pz Vector 948 Occ=0.000000D+00 E= 2.797803D-01 MO Center= -2.6D-01, 5.5D-03, -5.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3411 -0.638146 228 C s 261 0.596132 18 C s 3351 0.586723 224 C s 291 -0.569287 20 C s 2646 -0.571776 177 C s 546 0.538768 37 C s 3471 0.531857 232 C s 2436 0.528864 163 C s 2676 0.530729 179 C s 381 -0.524577 26 C s Vector 949 Occ=0.000000D+00 E= 2.803474D-01 MO Center= 4.4D-01, 5.3D-01, -5.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2016 0.571285 135 C s 2886 0.565593 193 C s 3531 -0.556853 236 C s 2856 -0.551777 191 C s 1416 -0.537607 95 C s 2451 0.527859 164 C s 891 0.524376 60 C s 3591 0.520112 240 C s 1146 -0.506334 77 C s 1161 0.508638 78 C s Vector 950 Occ=0.000000D+00 E= 2.809374D-01 MO Center= -1.2D-02, -4.5D-02, -9.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2136 -0.487138 143 C s 891 0.454265 60 C s 996 -0.421769 67 C s 2376 -0.415037 159 C s 2151 0.409785 144 C s 1521 0.404685 102 C s 1941 -0.395281 130 C s 3591 0.396509 240 C s 1776 0.380533 119 C s 2856 -0.374474 191 C s Vector 951 Occ=0.000000D+00 E= 2.814672D-01 MO Center= 1.4D-01, -1.1D-01, -1.1D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2661 0.523380 178 C s 3471 -0.493733 232 C s 2121 0.478156 142 C s 981 -0.459977 66 C s 2061 -0.456579 138 C s 2046 0.449172 137 C s 1851 -0.431934 124 C s 486 -0.421080 33 C s 1341 -0.422221 90 C s 3141 0.388406 210 C s Vector 952 Occ=0.000000D+00 E= 2.823928D-01 MO Center= -8.8D-01, -1.8D-01, -5.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2151 0.435722 144 C s 2376 -0.425284 159 C s 3111 0.396215 208 C s 1956 0.388349 131 C s 2871 0.372843 192 C s 1596 -0.351798 107 C s 2436 0.337899 163 C s 2451 -0.337345 164 C s 3531 0.336427 236 C s 1506 -0.330541 101 C s Vector 953 Occ=0.000000D+00 E= 2.826285D-01 MO Center= 5.5D-01, -3.2D-01, -4.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3351 0.479059 224 C s 696 -0.423026 47 C s 3591 -0.416107 240 C s 1461 0.369193 98 C s 876 0.363918 59 C s 1071 -0.354443 72 C s 2496 0.325632 167 C s 3456 0.313270 231 C s 2031 -0.294263 136 C s 1491 0.290177 100 C s Vector 954 Occ=0.000000D+00 E= 2.837483D-01 MO Center= 1.7D-01, -3.8D-02, -9.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1956 0.514027 131 C s 1971 -0.499587 132 C s 1776 0.490250 119 C s 1596 -0.450017 107 C s 1791 -0.429516 120 C s 2031 0.402833 136 C s 2376 -0.398117 159 C s 3291 -0.397917 220 C s 2601 0.374228 174 C s 2181 -0.371337 146 C s Vector 955 Occ=0.000000D+00 E= 2.839803D-01 MO Center= 1.8D-01, -5.0D-02, -8.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2061 0.550497 138 C s 1686 -0.498207 113 C s 2796 -0.498893 187 C s 2811 0.499075 188 C s 3051 0.497994 204 C s 1881 -0.481725 126 C s 2046 -0.459956 137 C s 3171 -0.449056 212 C s 1506 0.434678 101 C s 2076 -0.426501 139 C s Vector 956 Occ=0.000000D+00 E= 2.892761D-01 MO Center= -3.0D-01, 3.4D-01, -6.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3081 0.341673 206 C s 3006 -0.337830 201 C s 1926 0.332906 129 C s 3442 -0.311546 230 C px 1881 -0.291962 126 C s 518 -0.283319 35 C py 2901 0.280276 194 C s 1223 0.273496 82 C py 1566 0.268415 105 C s 3503 0.267661 234 C py Vector 957 Occ=0.000000D+00 E= 2.909159D-01 MO Center= 1.7D-01, -2.9D-01, -8.9D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1431 0.546858 96 C s 2481 0.503752 166 C s 1746 0.471754 117 C s 516 0.464034 35 C s 3111 0.446161 208 C s 2766 0.439063 185 C s 2151 0.416287 144 C s 621 -0.401347 42 C s 231 -0.384136 16 C s 2466 -0.371626 165 C s Vector 958 Occ=0.000000D+00 E= 2.915135D-01 MO Center= -2.6D-01, 4.3D-01, -3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2886 0.508178 193 C s 426 0.495954 29 C s 201 0.481633 14 C s 2976 0.469730 199 C s 2901 -0.465596 194 C s 3231 0.445779 216 C s 3096 0.440073 207 C s 3036 -0.431972 203 C s 2271 0.427479 152 C s 2046 -0.424133 137 C s Vector 959 Occ=0.000000D+00 E= 2.928425D-01 MO Center= 4.9D-01, 3.5D-01, -3.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 936 0.527948 63 C s 2721 0.415692 182 C s 3291 -0.417140 220 C s 3576 0.401207 239 C s 471 -0.394691 32 C s 3066 0.392789 205 C s 231 0.376982 16 C s 1641 -0.375995 110 C s 1221 -0.374086 82 C s 3381 -0.375098 226 C s Vector 960 Occ=0.000000D+00 E= 2.930043D-01 MO Center= -4.6D-01, -1.9D-01, -2.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3441 -0.480697 230 C s 2196 0.458652 147 C s 96 0.455792 7 C s 3456 0.454997 231 C s 786 -0.409978 53 C s 1656 -0.389668 111 C s 306 -0.367983 21 C s 1791 -0.348599 120 C s 3246 0.347798 217 C s 2976 0.337355 199 C s Vector 961 Occ=0.000000D+00 E= 2.940373D-01 MO Center= -2.2D-01, -2.9D-02, -5.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1701 0.494286 114 C s 1566 0.476029 105 C s 1536 0.473202 103 C s 2511 0.427889 168 C s 906 0.403339 61 C s 1746 -0.403979 117 C s 111 0.393508 8 C s 2241 0.393825 150 C s 1716 -0.389434 115 C s 3396 0.379012 227 C s Vector 962 Occ=0.000000D+00 E= 2.954017D-01 MO Center= -2.3D-01, 1.4D-01, 4.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 246 0.605291 17 C s 1116 0.547825 75 C s 2946 -0.488249 197 C s 561 -0.482015 38 C s 3201 -0.466630 214 C s 2991 -0.461819 200 C s 741 -0.455081 50 C s 2106 -0.454646 141 C s 1266 -0.431005 85 C s 861 0.418217 58 C s Vector 963 Occ=0.000000D+00 E= 2.958858D-01 MO Center= 2.6D-02, -5.5D-02, 2.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 876 -0.530367 59 C s 1026 -0.518178 69 C s 141 0.502345 10 C s 396 -0.491343 27 C s 1611 -0.473758 108 C s 2211 -0.465677 148 C s 771 -0.458456 52 C s 216 -0.452955 15 C s 2736 0.445176 183 C s 3486 0.447318 233 C s Vector 964 Occ=0.000000D+00 E= 2.968993D-01 MO Center= 4.1D-01, -1.6D-01, 8.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 696 -0.486576 47 C s 306 0.481351 21 C s 846 0.475422 57 C s 2256 0.471662 151 C s 3546 0.472057 237 C s 1206 -0.457704 81 C s 1251 0.450603 84 C s 1941 -0.447169 130 C s 3021 0.435405 202 C s 276 -0.430982 19 C s Vector 965 Occ=0.000000D+00 E= 2.977316D-01 MO Center= 1.2D-01, -8.4D-01, 4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1296 0.468316 87 C s 936 0.442162 63 C s 726 0.410090 49 C s 531 0.398864 36 C s 2736 0.395574 183 C s 711 -0.390243 48 C s 1221 -0.374567 82 C s 81 0.354369 6 C s 1176 0.349278 79 C s 1011 0.341641 68 C s Vector 966 Occ=0.000000D+00 E= 2.979725D-01 MO Center= 1.4D-01, -1.2D-01, -9.2D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3501 0.560360 234 C s 1866 0.442419 125 C s 2421 0.438351 162 C s 2361 0.425153 158 C s 2586 -0.424244 173 C s 2016 0.413852 135 C s 3306 0.415040 221 C s 906 0.407850 61 C s 2316 0.408450 155 C s 3141 0.405272 210 C s Vector 967 Occ=0.000000D+00 E= 3.001294D-01 MO Center= -1.3D-01, -2.0D-01, 3.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 861 0.540499 58 C s 2391 -0.515313 160 C s 1236 0.491855 83 C s 381 0.472628 26 C s 2871 -0.461641 192 C s 366 0.441423 25 C s 3426 -0.442441 229 C s 2196 0.434754 147 C s 1491 0.430652 100 C s 2031 0.429288 136 C s Vector 968 Occ=0.000000D+00 E= 3.007911D-01 MO Center= -4.4D-01, 2.4D-01, 7.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 546 0.655104 37 C s 591 -0.510259 40 C s 2091 -0.444602 140 C s 2001 -0.438408 134 C s 3411 0.437052 228 C s 2316 -0.417324 155 C s 1311 -0.410810 88 C s 381 -0.406402 26 C s 2451 0.392286 164 C s 36 -0.389517 3 C s Vector 969 Occ=0.000000D+00 E= 3.027216D-01 MO Center= 7.3D-02, 7.4D-01, 8.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 696 0.554330 47 C s 1416 0.523498 95 C s 486 0.495082 33 C s 2661 0.487889 178 C s 261 -0.484641 18 C s 516 0.480885 35 C s 2376 0.460400 159 C s 2076 0.455177 139 C s 1521 0.418658 102 C s 1866 0.415136 125 C s Vector 970 Occ=0.000000D+00 E= 3.036786D-01 MO Center= 6.0D-02, -3.9D-01, 9.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 531 0.580361 36 C s 2136 0.575452 143 C s 261 0.536974 18 C s 891 0.536801 60 C s 2811 0.496843 188 C s 1161 -0.493104 78 C s 2061 -0.464973 138 C s 1791 0.450119 120 C s 1761 0.431112 118 C s 3471 0.429606 232 C s Vector 971 Occ=0.000000D+00 E= 3.075960D-01 MO Center= -1.9D-01, 1.2D-01, 9.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 66 0.474053 5 C s 141 0.468509 10 C s 471 0.457437 32 C s 1266 0.458692 85 C s 1446 -0.456955 97 C s 171 0.453913 12 C s 306 0.446345 21 C s 2271 -0.413060 152 C s 906 0.407722 61 C s 996 0.408447 67 C s Vector 972 Occ=0.000000D+00 E= 3.093472D-01 MO Center= -6.4D-01, -7.5D-01, 3.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2181 0.517990 146 C s 441 0.460876 30 C s 1401 -0.461440 94 C s 6 -0.441224 1 C s 501 0.422665 34 C s 411 -0.407869 28 C s 1146 -0.389009 77 C s 2496 0.386975 167 C s 1341 -0.371610 90 C s 1296 0.366323 87 C s Vector 973 Occ=0.000000D+00 E= 3.105185D-01 MO Center= 8.7D-01, 7.4D-01, 6.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2916 0.565941 195 C s 1191 -0.510636 80 C s 1101 -0.491312 74 C s 2706 0.479734 181 C s 366 -0.470379 25 C s 1176 0.470575 79 C s 126 -0.466608 9 C s 291 -0.461638 20 C s 606 -0.439079 41 C s 816 0.435954 55 C s Vector 974 Occ=0.000000D+00 E= 3.114072D-01 MO Center= 3.0D-02, 4.3D-02, 3.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3006 -0.440284 201 C s 3186 0.440144 213 C s 786 0.434140 53 C s 2286 0.399927 153 C s 3321 0.389863 222 C s 351 -0.377492 24 C s 711 0.374441 48 C s 1221 -0.374283 82 C s 726 -0.371733 49 C s 1116 -0.371937 75 C s Vector 975 Occ=0.000000D+00 E= 3.221706D-01 MO Center= 1.2D-01, 4.9D-02, -1.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 891 0.698242 60 C s 291 0.653829 20 C s 1416 0.631709 95 C s 1341 -0.618941 90 C s 2016 0.607960 135 C s 2136 0.591293 143 C s 486 -0.568586 33 C s 1866 -0.570217 125 C s 2646 -0.537769 177 C s 261 -0.528830 18 C s Vector 976 Occ=0.000000D+00 E= 3.231890D-01 MO Center= 1.1D-01, -1.1D-01, -2.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1146 -0.693570 77 C s 171 0.673165 12 C s 1161 0.600444 78 C s 186 -0.595997 13 C s 1491 0.598184 100 C s 2856 0.566947 191 C s 2226 -0.560454 149 C s 2466 0.532880 165 C s 2886 -0.532316 193 C s 2031 0.513918 136 C s Vector 977 Occ=0.000000D+00 E= 3.246263D-01 MO Center= 2.2D-01, 4.2D-01, -1.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1776 0.606323 119 C s 1881 0.608920 126 C s 1971 0.594115 132 C s 2331 -0.597081 156 C s 1686 -0.585744 113 C s 921 -0.580652 62 C s 546 -0.571023 37 C s 1956 -0.572944 131 C s 531 0.566277 36 C s 1791 -0.568191 120 C s Vector 978 Occ=0.000000D+00 E= 3.254581D-01 MO Center= -4.9D-01, -1.7D-01, -3.0D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1596 0.706484 107 C s 1521 0.678971 102 C s 1611 -0.676008 108 C s 1506 -0.653158 101 C s 876 0.648242 59 C s 2601 0.639591 174 C s 2376 0.621035 159 C s 861 -0.579910 58 C s 3591 0.566750 240 C s 2586 -0.553915 173 C s Vector 979 Occ=0.000000D+00 E= 3.300379D-01 MO Center= 6.4D-02, -2.0D-02, -8.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3246 -0.542664 217 C s 2991 -0.529240 200 C s 2256 0.520691 151 C s 3141 -0.494429 210 C s 3171 -0.471428 212 C s 1851 0.466129 124 C s 3066 0.467661 205 C s 1551 0.445936 104 C s 3126 0.442787 209 C s 3051 0.436170 204 C s Vector 980 Occ=0.000000D+00 E= 3.303706D-01 MO Center= -1.8D-01, -1.9D-02, -8.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3006 -0.548135 201 C s 2361 0.542333 158 C s 3111 0.496181 208 C s 1761 0.477813 118 C s 3201 -0.465568 214 C s 3081 0.452598 206 C s 3186 0.445576 213 C s 2571 -0.435106 172 C s 1641 -0.432615 110 C s 771 0.427211 52 C s Vector 981 Occ=0.000000D+00 E= 3.307420D-01 MO Center= 1.5D-01, -4.2D-02, -1.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3441 0.554113 230 C s 3381 0.513049 226 C s 3501 0.512690 234 C s 591 -0.485013 40 C s 3336 -0.477630 223 C s 3396 -0.450485 227 C s 1221 -0.440749 82 C s 1296 -0.435966 87 C s 711 -0.427912 48 C s 3321 0.420363 222 C s Vector 982 Occ=0.000000D+00 E= 3.370149D-01 MO Center= 2.7D-01, -9.8D-02, -1.7D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 486 0.484688 33 C s 3381 -0.444700 226 C s 261 0.432261 18 C s 2166 -0.398731 145 C s 531 -0.387039 36 C s 186 -0.380762 13 C s 381 -0.378605 26 C s 291 -0.372340 20 C s 546 0.369836 37 C s 471 0.361760 32 C s Vector 983 Occ=0.000000D+00 E= 3.380755D-01 MO Center= -4.4D-02, -1.9D-02, -1.5D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1341 0.509871 90 C s 666 0.479629 45 C s 801 0.461639 54 C s 2901 -0.458474 194 C s 876 -0.447112 59 C s 891 0.437722 60 C s 1416 -0.434019 95 C s 1491 -0.423851 100 C s 861 0.416852 58 C s 3336 -0.417002 223 C s Vector 984 Occ=0.000000D+00 E= 3.405200D-01 MO Center= -3.3D-01, -5.2D-02, 4.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2181 0.584104 146 C s 201 -0.555152 14 C s 366 0.542105 25 C s 306 -0.533479 21 C s 3456 -0.534092 231 C s 6 0.517301 1 C s 1086 0.511802 73 C s 726 -0.495168 49 C s 516 0.488083 35 C s 1401 -0.489121 94 C s Vector 985 Occ=0.000000D+00 E= 3.417434D-01 MO Center= 3.1D-01, 3.7D-01, -2.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 126 0.554363 9 C s 2736 0.512818 183 C s 2526 0.506800 169 C s 1191 -0.500113 80 C s 2946 0.489889 197 C s 366 0.482974 25 C s 1671 -0.460087 112 C s 1701 0.443523 114 C s 351 -0.429162 24 C s 1581 -0.413507 106 C s Vector 986 Occ=0.000000D+00 E= 3.424699D-01 MO Center= -1.8D-02, -3.9D-01, 6.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1281 0.638911 86 C s 966 0.586780 65 C s 411 -0.578452 28 C s 711 -0.576723 48 C s 906 -0.518452 61 C s 471 0.509239 32 C s 1116 0.494979 75 C s 3561 0.485541 238 C s 2271 -0.463917 152 C s 141 0.460397 10 C s Vector 987 Occ=0.000000D+00 E= 3.458986D-01 MO Center= -6.0D-01, -1.6D-01, -4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3051 -0.361262 204 C s 741 0.332805 50 C s 3141 -0.334218 210 C s 3066 0.323727 205 C s 3218 -0.308983 215 C py 804 -0.303506 54 C pz 1341 -0.302386 90 C s 1101 -0.289279 74 C s 3098 -0.288450 207 C py 441 -0.270087 30 C s Vector 988 Occ=0.000000D+00 E= 3.466192D-01 MO Center= -4.1D-01, -1.9D-02, -5.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 141 0.389407 10 C s 411 -0.387205 28 C s 3261 -0.354110 218 C s 1881 0.350473 126 C s 2286 0.340675 153 C s 3157 -0.338714 211 C px 996 0.336993 67 C s 306 0.311375 21 C s 3231 0.304452 216 C s 1056 0.301781 71 C s Vector 989 Occ=0.000000D+00 E= 3.482427D-01 MO Center= 8.1D-01, -1.9D-01, 6.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2151 -0.417295 144 C s 1446 0.390702 97 C s 2121 0.389993 142 C s 2046 0.384139 137 C s 1851 -0.375528 124 C s 2031 -0.376888 136 C s 2511 0.361885 168 C s 1551 -0.347611 104 C s 171 0.335830 12 C s 2436 -0.333417 163 C s Vector 990 Occ=0.000000D+00 E= 3.483438D-01 MO Center= -5.4D-01, 4.4D-01, 6.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 501 0.434568 34 C s 2676 -0.418230 179 C s 2646 0.399019 177 C s 2886 0.398683 193 C s 1146 0.391881 77 C s 216 -0.380222 15 C s 36 0.369233 3 C s 2931 0.370909 196 C s 291 -0.356160 20 C s 2856 -0.335472 191 C s Vector 991 Occ=0.000000D+00 E= 3.497344D-01 MO Center= 5.8D-01, 8.1D-02, -5.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2721 0.581696 182 C s 906 -0.512467 61 C s 2796 -0.501038 187 C s 1686 0.493961 113 C s 1071 -0.485033 72 C s 3081 0.471390 206 C s 1596 0.455658 107 C s 2376 -0.454394 159 C s 3021 0.451541 202 C s 1461 -0.447994 98 C s Vector 992 Occ=0.000000D+00 E= 3.543906D-01 MO Center= -1.8D-01, 4.8D-01, -1.3D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3306 0.734575 221 C s 3546 -0.627396 237 C s 2331 0.554225 156 C s 696 -0.547038 47 C s 546 0.507760 37 C s 2961 -0.504691 198 C s 3036 0.504674 203 C s 3366 -0.486504 225 C s 2556 0.477762 171 C s 426 0.443212 29 C s Vector 993 Occ=0.000000D+00 E= 3.546186D-01 MO Center= 4.3D-01, -7.6D-01, -1.2D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3486 0.661604 233 C s 3426 -0.592139 229 C s 861 -0.565809 58 C s 2751 -0.542646 184 C s 3156 -0.526602 211 C s 531 0.486094 36 C s 2346 -0.472523 157 C s 2781 0.470912 186 C s 2631 -0.460033 176 C s 2541 0.454651 170 C s Vector 994 Occ=0.000000D+00 E= 3.565198D-01 MO Center= 1.2D-01, 7.9D-01, -2.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1926 0.666449 129 C s 3276 0.628691 219 C s 2826 0.586161 189 C s 2346 -0.539248 157 C s 1566 0.523729 105 C s 2631 -0.520038 176 C s 1986 0.514026 133 C s 1491 0.477625 100 C s 1896 -0.475183 127 C s 2046 -0.472316 137 C s Vector 995 Occ=0.000000D+00 E= 3.571443D-01 MO Center= 2.7D-01, -5.3D-01, 1.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1836 0.667460 123 C s 2421 -0.550883 162 C s 1746 0.533072 117 C s 2541 -0.523274 170 C s 2616 0.524277 175 C s 2976 -0.521178 199 C s 486 0.461775 33 C s 2676 -0.444531 179 C s 1791 -0.439591 120 C s 3036 0.421835 203 C s Vector 996 Occ=0.000000D+00 E= 3.584163D-01 MO Center= -8.0D-01, -7.4D-02, 6.5D-03, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1656 0.697541 111 C s 2091 0.548028 140 C s 1746 0.515089 117 C s 2001 -0.503147 134 C s 2466 -0.487400 165 C s 2106 -0.481842 141 C s 2556 -0.465173 171 C s 2766 -0.462774 185 C s 2406 0.458460 161 C s 186 0.442603 13 C s Vector 997 Occ=0.000000D+00 E= 3.640595D-01 MO Center= -5.6D-01, -3.0D-01, 1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 681 0.686702 46 C s 1251 -0.630456 84 C s 756 -0.581251 51 C s 1131 0.582318 76 C s 1326 -0.564956 89 C s 81 0.515523 6 C s 1011 0.487653 68 C s 1926 -0.473844 129 C s 2751 0.450254 184 C s 1116 -0.423505 75 C s Vector 998 Occ=0.000000D+00 E= 3.648665D-01 MO Center= 2.2D-01, 2.5D-01, 6.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 921 0.827853 62 C s 21 -0.748960 2 C s 756 -0.666221 51 C s 1431 0.642104 96 C s 1476 0.577857 99 C s 1626 0.549996 109 C s 2556 0.546509 171 C s 81 -0.540800 6 C s 3366 -0.511360 225 C s 1806 -0.502057 121 C s Vector 999 Occ=0.000000D+00 E= 3.662135D-01 MO Center= -3.3D-02, -5.8D-01, 6.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1356 0.971508 91 C s 621 -0.686641 42 C s 1716 -0.671481 115 C s 846 0.621290 57 C s 321 -0.591686 22 C s 2241 0.579592 150 C s 1086 0.564514 73 C s 3306 0.520092 221 C s 1101 -0.508033 74 C s 1176 0.497126 79 C s Vector 1000 Occ=0.000000D+00 E= 3.676823D-01 MO Center= 7.1D-02, 7.0D-02, 1.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1536 0.658060 103 C s 3156 0.616924 211 C s 276 0.575803 19 C s 3036 0.568041 203 C s 1161 0.531862 78 C s 2826 -0.526186 189 C s 81 -0.523227 6 C s 291 -0.488031 20 C s 2226 -0.476623 149 C s 2631 0.477435 176 C s Vector 1001 Occ=0.000000D+00 E= 3.682490D-01 MO Center= 5.4D-01, 1.7D-01, 6.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 321 0.829697 22 C s 1896 -0.651013 127 C s 561 0.646128 38 C s 3096 -0.623725 207 C s 156 -0.589757 11 C s 2541 0.566782 170 C s 201 0.562334 14 C s 2421 -0.551839 162 C s 336 -0.548049 23 C s 576 -0.519747 39 C s Vector 1002 Occ=0.000000D+00 E= 3.733341D-01 MO Center= 5.5D-03, 3.3D-01, 2.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 561 0.815274 38 C s 3366 -0.742574 225 C s 621 0.664519 42 C s 2391 0.635211 160 C s 426 -0.586560 29 C s 2841 -0.587094 190 C s 321 -0.581059 22 C s 276 -0.538764 19 C s 3486 0.533928 233 C s 981 0.510656 66 C s Vector 1003 Occ=0.000000D+00 E= 3.741140D-01 MO Center= -2.3D-01, -1.6D-01, 1.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1041 0.680603 70 C s 3426 -0.680045 229 C s 81 0.672702 6 C s 576 0.667298 39 C s 3306 0.654309 221 C s 681 -0.626194 46 C s 3531 0.615828 236 C s 2421 -0.608807 162 C s 861 -0.581367 58 C s 2556 -0.581970 171 C s Vector 1004 Occ=0.000000D+00 E= 3.752773D-01 MO Center= -3.1D-01, -1.7D-01, 3.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1326 0.688824 89 C s 2661 0.675427 178 C s 2106 0.643656 141 C s 2631 0.641848 176 C s 1011 0.637153 68 C s 1971 -0.638343 132 C s 2601 -0.601922 174 C s 276 0.573593 19 C s 996 -0.573680 67 C s 1716 -0.571243 115 C s Vector 1005 Occ=0.000000D+00 E= 3.757722D-01 MO Center= -1.8D-01, 1.5D-01, -2.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1341 0.744647 90 C s 921 0.689557 62 C s 2046 -0.681104 137 C s 3546 -0.678581 237 C s 1881 -0.674617 126 C s 2061 0.668828 138 C s 1251 0.651133 84 C s 2346 -0.606492 157 C s 2646 -0.594723 177 C s 1626 0.582862 109 C s Vector 1006 Occ=0.000000D+00 E= 3.775464D-01 MO Center= 1.9D-03, -2.5D-02, -4.1D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3411 0.729058 228 C s 1791 -0.702581 120 C s 171 0.656778 12 C s 1956 0.655699 131 C s 3471 -0.624482 232 C s 2016 -0.598768 135 C s 2841 -0.560099 190 C s 291 -0.549965 20 C s 1356 0.546370 91 C s 186 -0.543094 13 C s Vector 1007 Occ=0.000000D+00 E= 3.792210D-01 MO Center= -3.7D-01, 2.3D-01, -5.4D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3321 0.638247 222 C s 1161 0.623427 78 C s 2316 -0.601366 155 C s 3456 -0.574184 231 C s 1311 -0.570632 88 C s 591 0.553362 40 C s 3576 -0.544749 239 C s 1221 0.537517 82 C s 2301 0.536420 154 C s 3246 0.530296 217 C s Vector 1008 Occ=0.000000D+00 E= 3.807634D-01 MO Center= 4.8D-01, 3.2D-01, -9.0D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3006 0.669444 201 C s 2946 -0.641395 197 C s 1101 0.632785 74 C s 3021 -0.628434 202 C s 3336 -0.618512 223 C s 1506 -0.577008 101 C s 1596 0.577394 107 C s 2526 -0.547897 169 C s 696 -0.522743 47 C s 1371 -0.509996 92 C s Vector 1009 Occ=0.000000D+00 E= 3.812469D-01 MO Center= -1.6D-01, 2.5D-01, 8.5D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 336 0.736280 23 C s 861 0.732409 58 C s 876 -0.583154 59 C s 3186 -0.571890 213 C s 1776 -0.563187 119 C s 3546 0.543960 237 C s 3486 -0.523633 233 C s 6 0.520858 1 C s 3516 0.500594 235 C s 2181 -0.469573 146 C s Vector 1010 Occ=0.000000D+00 E= 3.819300D-01 MO Center= 1.7D-02, -1.8D-01, 9.0D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1446 0.616495 97 C s 2361 0.615189 158 C s 636 -0.552897 43 C s 3231 -0.551318 216 C s 1206 0.538383 81 C s 2301 0.517005 154 C s 3501 0.516724 234 C s 951 -0.504487 64 C s 531 -0.501689 36 C s 1281 -0.485136 86 C s Vector 1011 Occ=0.000000D+00 E= 3.820649D-01 MO Center= -6.6D-02, -2.0D-01, -6.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1881 0.584880 126 C s 441 0.579563 30 C s 3051 -0.578831 204 C s 2511 -0.560824 168 C s 2781 0.556153 186 C s 696 0.550658 47 C s 3321 0.519159 222 C s 1791 -0.495957 120 C s 3111 0.488910 208 C s 1956 0.478668 131 C s Vector 1012 Occ=0.000000D+00 E= 3.825149D-01 MO Center= 2.8D-01, 7.1D-02, -4.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3576 0.677363 239 C s 3561 0.547910 238 C s 816 -0.538393 55 C s 936 0.535525 63 C s 2286 -0.533968 153 C s 2736 0.535530 183 C s 3291 -0.491241 220 C s 2721 -0.481749 182 C s 1056 0.477046 71 C s 1491 0.470382 100 C s Vector 1013 Occ=0.000000D+00 E= 3.828865D-01 MO Center= 5.4D-03, -1.9D-01, -3.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3396 -0.715685 227 C s 3066 0.664500 205 C s 546 -0.647504 37 C s 216 0.639280 15 C s 2481 0.633080 166 C s 3171 -0.621839 212 C s 36 -0.599876 3 C s 2196 0.602772 147 C s 351 -0.592348 24 C s 771 -0.556264 52 C s Vector 1014 Occ=0.000000D+00 E= 3.842239D-01 MO Center= 8.3D-02, -2.5D-02, -3.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 291 0.680815 20 C s 1146 0.656907 77 C s 1491 -0.636210 100 C s 2676 -0.617140 179 C s 486 -0.591852 33 C s 2466 -0.583413 165 C s 891 -0.570866 60 C s 1536 0.568041 103 C s 171 0.564769 12 C s 1026 -0.554898 69 C s Vector 1015 Occ=0.000000D+00 E= 3.852966D-01 MO Center= -2.2D-02, 1.7D-02, -3.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1731 0.704346 116 C s 1851 -0.695398 124 C s 1551 -0.672817 104 C s 66 0.661907 5 C s 366 -0.660311 25 C s 1401 0.622291 94 C s 3021 0.586544 202 C s 2991 -0.576533 200 C s 1686 -0.544148 113 C s 1671 0.539225 112 C s Vector 1016 Occ=0.000000D+00 E= 3.857558D-01 MO Center= -4.3D-02, 7.3D-02, -4.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1641 0.663333 110 C s 126 0.635448 9 C s 966 -0.631182 65 C s 1821 -0.633190 122 C s 1761 -0.629215 118 C s 666 0.614934 45 C s 3081 0.616518 206 C s 2361 0.599346 158 C s 3261 -0.596251 218 C s 1941 0.590784 130 C s Vector 1017 Occ=0.000000D+00 E= 3.971952D-01 MO Center= 4.3D-02, 7.0D-02, -2.4D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3321 0.785076 222 C s 3126 0.736784 209 C s 3516 -0.737451 235 C s 3006 -0.720236 201 C s 3111 -0.702536 208 C s 3231 0.701017 216 C s 2571 0.694194 172 C s 3441 -0.680750 230 C s 3141 -0.672806 210 C s 3396 0.620172 227 C s Vector 1018 Occ=0.000000D+00 E= 3.982014D-01 MO Center= 6.8D-03, 3.2D-02, -2.3D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3066 0.737684 205 C s 3381 -0.727948 226 C s 3171 0.693332 212 C s 3456 -0.688404 231 C s 3291 -0.678417 220 C s 3576 0.669096 239 C s 3561 0.657201 238 C s 3246 -0.652946 217 C s 2256 -0.645098 151 C s 2781 0.631460 186 C s Vector 1019 Occ=0.000000D+00 E= 4.012316D-01 MO Center= -1.1D-01, 2.1D-01, -2.0D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 66 0.548235 5 C s 1086 0.528546 73 C s 1791 -0.524105 120 C s 1521 -0.502186 102 C s 3021 -0.498110 202 C s 666 0.494201 45 C s 3201 -0.491155 214 C s 1611 -0.476176 108 C s 3246 0.477846 217 C s 3261 -0.478434 218 C s Vector 1020 Occ=0.000000D+00 E= 4.020615D-01 MO Center= 1.4D-01, -6.0D-02, 7.7D-03, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1176 -0.698327 79 C s 2286 0.668254 153 C s 816 0.659638 55 C s 2271 -0.652487 152 C s 1206 0.577489 81 C s 1011 -0.571390 68 C s 3171 -0.571239 212 C s 2181 -0.557553 146 C s 3186 0.539902 213 C s 1326 0.533935 89 C s Vector 1021 Occ=0.000000D+00 E= 4.027913D-01 MO Center= 1.1D-02, 1.8D-01, 3.0D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 501 0.801764 34 C s 2691 0.691473 180 C s 246 0.674141 17 C s 2496 0.673523 167 C s 1116 -0.624937 75 C s 2706 -0.592805 181 C s 3066 0.592409 205 C s 201 -0.587257 14 C s 276 -0.576016 19 C s 2916 0.571710 195 C s Vector 1022 Occ=0.000000D+00 E= 4.051904D-01 MO Center= -8.0D-01, 2.2D-01, -6.5D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2046 0.846799 137 C s 3486 -0.665610 233 C s 66 -0.641337 5 C s 2151 -0.639683 144 C s 3546 0.629704 237 C s 936 0.578602 63 C s 3531 0.568164 236 C s 231 -0.547679 16 C s 126 -0.531073 9 C s 471 0.507707 32 C s Vector 1023 Occ=0.000000D+00 E= 4.056127D-01 MO Center= 6.8D-01, 3.5D-02, -4.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2676 0.662095 179 C s 591 0.645516 40 C s 3336 0.646846 223 C s 1311 0.637105 88 C s 3306 -0.603284 221 C s 3411 -0.582617 228 C s 3321 0.579705 222 C s 2901 -0.557065 194 C s 711 0.546542 48 C s 1551 0.530317 104 C s Vector 1024 Occ=0.000000D+00 E= 4.061302D-01 MO Center= 1.9D-01, -4.9D-01, -2.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3471 -0.635955 232 C s 516 0.624921 35 C s 1221 0.620217 82 C s 3366 -0.611154 225 C s 3396 0.612083 227 C s 771 -0.604780 52 C s 1476 0.558207 99 C s 216 0.543651 15 C s 801 0.534422 54 C s 3426 0.514922 229 C s Vector 1025 Occ=0.000000D+00 E= 4.065077D-01 MO Center= 6.4D-02, -1.2D-01, -1.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2631 0.599136 176 C s 1371 0.565370 92 C s 2946 -0.560104 197 C s 2886 0.555148 193 C s 3216 0.555279 215 C s 2151 -0.534900 144 C s 651 0.516378 44 C s 951 0.508665 64 C s 936 0.490110 63 C s 1731 -0.490642 116 C s Vector 1026 Occ=0.000000D+00 E= 4.069681D-01 MO Center= -3.9D-02, -2.4D-01, -2.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1086 0.683281 73 C s 2466 -0.686118 165 C s 336 0.629457 23 C s 2196 0.632112 147 C s 456 0.600250 31 C s 3156 0.596001 211 C s 2841 0.582676 190 C s 1296 0.565975 87 C s 1641 0.549237 110 C s 2421 -0.538658 162 C s Vector 1027 Occ=0.000000D+00 E= 4.096979D-01 MO Center= -3.0D-01, 1.5D-01, -3.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1521 0.801021 102 C s 2151 -0.755300 144 C s 171 0.622470 12 C s 711 -0.621797 48 C s 2136 0.621336 143 C s 3216 0.613409 215 C s 381 -0.591049 26 C s 1866 0.588735 125 C s 2856 -0.579606 191 C s 891 -0.572618 60 C s Vector 1028 Occ=0.000000D+00 E= 4.100042D-01 MO Center= 4.0D-01, -5.1D-01, -3.4D-02, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2031 0.733879 136 C s 366 0.723311 25 C s 2046 -0.713370 137 C s 1386 -0.693014 93 C s 1881 0.659122 126 C s 216 -0.648564 15 C s 1581 -0.630388 106 C s 1701 -0.623103 114 C s 2676 0.614513 179 C s 3366 0.610202 225 C s Vector 1029 Occ=0.000000D+00 E= 4.102507D-01 MO Center= -4.4D-02, 1.1D+00, -1.3D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 126 -0.849093 9 C s 66 0.814815 5 C s 111 0.754410 8 C s 351 -0.743606 24 C s 51 -0.694155 4 C s 1791 0.664849 120 C s 96 -0.626345 7 C s 336 0.625112 23 C s 801 0.605427 54 C s 36 0.597093 3 C s Vector 1030 Occ=0.000000D+00 E= 4.104326D-01 MO Center= -2.1D-01, -5.5D-01, -2.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1611 0.725125 108 C s 2466 -0.722375 165 C s 1506 0.682372 101 C s 1941 0.673738 130 C s 3156 0.652410 211 C s 966 -0.643926 65 C s 2871 -0.619984 192 C s 186 -0.615747 13 C s 3426 -0.606283 229 C s 2196 -0.603051 147 C s Vector 1031 Occ=0.000000D+00 E= 4.129415D-01 MO Center= -2.3D-01, 1.7D-01, -1.0D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2346 -0.691679 157 C s 2241 -0.675048 150 C s 2961 0.672381 198 C s 2976 -0.666810 199 C s 2331 0.649036 156 C s 2226 0.638594 149 C s 2751 0.639869 184 C s 2766 -0.633073 185 C s 2556 -0.609102 171 C s 2541 0.605082 170 C s Vector 1032 Occ=0.000000D+00 E= 4.161096D-01 MO Center= -2.7D-01, 1.1D-01, -8.4D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3351 0.990870 224 C s 3411 -0.829103 228 C s 3591 -0.721125 240 C s 1941 -0.667742 130 C s 1581 0.587625 106 C s 2076 0.587202 139 C s 1851 0.557959 124 C s 2391 -0.556756 160 C s 2946 -0.554912 197 C s 2121 0.543263 142 C s Vector 1033 Occ=0.000000D+00 E= 4.164284D-01 MO Center= -1.3D-01, 1.9D-01, -8.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3531 1.015064 236 C s 3471 -0.859515 232 C s 3591 -0.711968 240 C s 1761 0.663018 118 C s 1671 -0.652547 112 C s 186 -0.632304 13 C s 1956 -0.588956 131 C s 2211 -0.576767 148 C s 2811 -0.559797 188 C s 1971 0.554784 132 C s Vector 1034 Occ=0.000000D+00 E= 4.174307D-01 MO Center= -2.9D-01, 1.3D-01, 8.5D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1701 0.853962 114 C s 1521 0.839405 102 C s 1611 0.839419 108 C s 1881 0.825106 126 C s 1686 -0.784061 113 C s 1866 -0.721552 125 C s 1506 -0.707431 101 C s 1596 -0.668636 107 C s 1791 0.670970 120 C s 441 0.664572 30 C s Vector 1035 Occ=0.000000D+00 E= 4.198214D-01 MO Center= -1.8D-01, -7.3D-01, 1.4D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1041 -0.863047 70 C s 141 0.845518 10 C s 1311 0.817813 88 C s 1356 0.797257 91 C s 246 -0.711114 17 C s 1266 -0.690859 85 C s 831 -0.666527 56 C s 2631 0.657085 176 C s 426 -0.637190 29 C s 1206 0.632664 81 C s Vector 1036 Occ=0.000000D+00 E= 4.206855D-01 MO Center= -8.6D-02, -5.4D-01, -3.1D-03, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1731 0.752198 116 C s 621 0.668177 42 C s 3141 0.646001 210 C s 1761 -0.641106 118 C s 81 -0.636630 6 C s 1041 0.622679 70 C s 1716 -0.623631 115 C s 1431 0.619417 96 C s 2511 0.617182 168 C s 2496 -0.611664 167 C s Vector 1037 Occ=0.000000D+00 E= 4.208034D-01 MO Center= -1.1D-01, 9.3D-01, -7.3D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2946 -0.654146 197 C s 2301 -0.648010 154 C s 1536 0.633852 103 C s 306 0.608052 21 C s 3261 -0.580929 218 C s 2901 0.566991 194 C s 2931 0.535096 196 C s 2286 0.529703 153 C s 2316 0.531276 155 C s 2991 -0.526247 200 C s Vector 1038 Occ=0.000000D+00 E= 4.209302D-01 MO Center= 1.2D+00, -2.0D-01, 7.4D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1431 -0.846739 96 C s 1236 0.813388 83 C s 1281 -0.679726 86 C s 906 -0.675713 61 C s 2736 0.659338 183 C s 1266 0.620079 85 C s 1221 -0.612016 82 C s 516 -0.606039 35 C s 2691 -0.595278 180 C s 321 0.578791 22 C s Vector 1039 Occ=0.000000D+00 E= 4.216957D-01 MO Center= -4.8D-01, -2.0D-01, 2.9D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 426 0.909881 29 C s 756 -0.827421 51 C s 21 0.757062 2 C s 1851 -0.742310 124 C s 1821 0.690531 122 C s 1971 -0.666300 132 C s 666 -0.637482 45 C s 366 0.597427 25 C s 801 0.589850 54 C s 1161 0.580633 78 C s Vector 1040 Occ=0.000000D+00 E= 4.235376D-01 MO Center= -4.8D-01, 3.2D-01, 1.7D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1416 0.594744 95 C s 1881 -0.548459 126 C s 1971 -0.517290 132 C s 2076 -0.512595 139 C s 711 0.506068 48 C s 1116 -0.504284 75 C s 1191 0.490042 80 C s 1791 -0.490867 120 C s 981 0.473153 66 C s 2061 0.474216 138 C s Vector 1041 Occ=0.000000D+00 E= 4.245198D-01 MO Center= 9.2D-02, -3.7D-01, 1.5D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 291 0.945139 20 C s 996 -0.910524 67 C s 276 -0.821616 19 C s 1101 -0.782511 74 C s 1251 -0.765063 84 C s 981 0.751995 66 C s 1326 0.723370 89 C s 1011 0.706072 68 C s 1341 -0.709280 90 C s 561 0.676085 38 C s Vector 1042 Occ=0.000000D+00 E= 4.252976D-01 MO Center= -4.2D-02, -5.4D-01, 7.7D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1521 -0.834004 102 C s 381 0.823523 26 C s 261 0.798538 18 C s 2421 -0.773943 162 C s 1506 0.757599 101 C s 2376 0.754289 159 C s 171 -0.743342 12 C s 1716 0.744146 115 C s 1791 0.725887 120 C s 1416 -0.716345 95 C s Vector 1043 Occ=0.000000D+00 E= 4.266528D-01 MO Center= 9.3D-01, -4.2D-01, 8.1D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1776 0.939084 119 C s 2391 0.877998 160 C s 1491 -0.792860 100 C s 1791 -0.793424 120 C s 1611 0.783460 108 C s 1326 -0.768144 89 C s 1446 -0.749141 97 C s 1176 0.744461 79 C s 1251 0.742998 84 C s 1341 0.746058 90 C s Vector 1044 Occ=0.000000D+00 E= 4.270220D-01 MO Center= 3.0D-01, 2.4D-01, 7.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2601 0.986792 174 C s 1596 -0.941541 107 C s 1701 0.939554 114 C s 486 0.886805 33 C s 1881 -0.842072 126 C s 2616 -0.795408 175 C s 636 -0.790190 43 C s 1926 0.762221 129 C s 1866 0.725070 125 C s 2076 -0.709370 139 C s Vector 1045 Occ=0.000000D+00 E= 4.272159D-01 MO Center= -8.9D-01, -2.6D-03, 2.0D+00, r^2= 4.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 696 1.197914 47 C s 501 1.002564 34 C s 876 -0.994315 59 C s 411 -0.950670 28 C s 681 -0.899725 46 C s 1131 0.821050 76 C s 1026 0.801492 69 C s 1146 -0.766270 77 C s 1311 0.726633 88 C s 1116 -0.645777 75 C s Vector 1046 Occ=0.000000D+00 E= 4.278686D-01 MO Center= -2.1D-01, 9.9D-01, 1.4D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 861 -0.774717 58 C s 396 -0.755043 27 C s 531 0.754142 36 C s 2856 -0.738765 191 C s 2886 0.721918 193 C s 246 0.710995 17 C s 831 -0.672144 56 C s 2676 -0.667809 179 C s 231 0.618354 16 C s 141 -0.605975 10 C s Vector 1047 Occ=0.000000D+00 E= 4.283785D-01 MO Center= -1.9D-01, -1.2D-02, 8.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2151 0.903641 144 C s 351 0.802632 24 C s 2136 -0.728097 143 C s 2466 -0.686175 165 C s 2436 0.675431 163 C s 606 0.651039 41 C s 336 -0.616655 23 C s 186 -0.595555 13 C s 2046 -0.554935 137 C s 2241 -0.553343 150 C s Vector 1048 Occ=0.000000D+00 E= 4.292635D-01 MO Center= 8.6D-01, -5.3D-01, 1.5D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 531 1.173558 36 C s 546 -1.164256 37 C s 696 0.760674 47 C s 171 -0.664230 12 C s 576 -0.652781 39 C s 861 -0.639432 58 C s 1866 0.610825 125 C s 561 0.603352 38 C s 1776 -0.579602 119 C s 1491 0.556527 100 C s Vector 1049 Occ=0.000000D+00 E= 4.308842D-01 MO Center= 6.6D-02, 7.0D-02, -2.6D+00, r^2= 4.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3216 1.017927 215 C s 3096 0.986834 207 C s 3156 0.958027 211 C s 3276 0.946479 219 C s 3036 0.938888 203 C s 2046 -0.728311 137 C s 2151 -0.731654 144 C s 2886 -0.730812 193 C s 2676 -0.688548 179 C s 1026 -0.675004 69 C s Vector 1050 Occ=0.000000D+00 E= 4.386118D-01 MO Center= -3.0D-01, -4.7D-01, -1.5D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2436 0.990920 163 C s 2451 -0.992040 164 C s 2646 -0.977583 177 C s 2136 0.937029 143 C s 3591 -0.885810 240 C s 2076 -0.878281 139 C s 2391 0.878702 160 C s 1566 -0.820433 105 C s 3351 0.808359 224 C s 1536 0.768820 103 C s Vector 1051 Occ=0.000000D+00 E= 4.393381D-01 MO Center= 1.3D-01, 5.9D-01, -1.7D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2016 1.121063 135 C s 2871 1.023335 192 C s 3471 0.949583 232 C s 2031 -0.908578 136 C s 2856 -0.902364 191 C s 2811 -0.873770 188 C s 1956 -0.868141 131 C s 1746 0.799657 117 C s 3411 -0.777077 228 C s 1971 0.763783 132 C s Vector 1052 Occ=0.000000D+00 E= 4.431806D-01 MO Center= 7.3D-01, 1.2D-02, 6.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1866 1.364059 125 C s 696 -1.121554 47 C s 891 -1.091636 60 C s 1881 -0.839404 126 C s 1776 -0.812173 119 C s 2676 -0.812098 179 C s 381 -0.794167 26 C s 2646 0.765192 177 C s 2136 -0.731917 143 C s 876 0.713347 59 C s Vector 1053 Occ=0.000000D+00 E= 4.434629D-01 MO Center= -7.3D-01, 2.3D-01, 7.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 861 1.156026 58 C s 1596 -1.147092 107 C s 1506 1.000828 101 C s 1161 0.943201 78 C s 486 0.925241 33 C s 1611 0.874537 108 C s 876 -0.839251 59 C s 1701 -0.833516 114 C s 1791 0.711282 120 C s 2631 0.706820 176 C s Vector 1054 Occ=0.000000D+00 E= 4.437137D-01 MO Center= -1.0D-01, -2.4D-01, 1.5D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2436 0.946542 163 C s 2466 -0.925344 165 C s 1491 -0.891945 100 C s 1776 0.842272 119 C s 2031 -0.837575 136 C s 2796 0.840080 187 C s 1341 0.812146 90 C s 2046 0.774868 137 C s 2451 0.740357 164 C s 2076 0.715294 139 C s Vector 1055 Occ=0.000000D+00 E= 4.442457D-01 MO Center= 9.5D-02, 2.5D-02, 4.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1686 1.043181 113 C s 981 0.925818 66 C s 546 0.916331 37 C s 531 -0.872876 36 C s 1026 -0.856517 69 C s 2121 0.852632 142 C s 2151 -0.827142 144 C s 2871 -0.815773 192 C s 1506 -0.797397 101 C s 1881 -0.738640 126 C s Vector 1056 Occ=0.000000D+00 E= 4.476321D-01 MO Center= -5.5D-02, 1.4D-01, 5.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1776 0.665415 119 C s 1971 0.641873 132 C s 1266 -0.617842 85 C s 1956 -0.614159 131 C s 2811 0.614222 188 C s 591 -0.604904 40 C s 1866 0.589832 125 C s 2616 -0.573637 175 C s 1311 0.563000 88 C s 606 0.554795 41 C s Vector 1057 Occ=0.000000D+00 E= 4.495172D-01 MO Center= -4.0D-02, -4.0D-01, 7.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1341 1.318998 90 C s 1146 -1.162846 77 C s 996 -1.027409 67 C s 2046 0.795363 137 C s 1161 0.781491 78 C s 1326 -0.762694 89 C s 1416 -0.751915 95 C s 1491 -0.753301 100 C s 1251 0.728020 84 C s 2886 -0.722556 193 C s Vector 1058 Occ=0.000000D+00 E= 4.503598D-01 MO Center= -3.8D-01, 5.1D-01, 1.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 171 1.290018 12 C s 186 -1.249125 13 C s 291 -1.098038 20 C s 2466 0.948647 165 C s 2451 -0.883805 164 C s 261 0.837049 18 C s 996 -0.815425 67 C s 2016 -0.794541 135 C s 2676 -0.731701 179 C s 3351 0.734747 224 C s Vector 1059 Occ=0.000000D+00 E= 4.505676D-01 MO Center= 3.3D-01, -2.3D-01, -4.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2646 1.090309 177 C s 2661 -1.064613 178 C s 171 -0.930723 12 C s 1491 0.883713 100 C s 486 -0.773590 33 C s 2031 0.759342 136 C s 1461 -0.746762 98 C s 3471 -0.744871 232 C s 1611 -0.728750 108 C s 3111 -0.712584 208 C s Vector 1060 Occ=0.000000D+00 E= 4.513201D-01 MO Center= 9.5D-02, 2.5D-02, -5.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2871 1.064180 192 C s 2436 0.938844 163 C s 291 0.891184 20 C s 1026 0.872815 69 C s 3411 0.827266 228 C s 381 0.800074 26 C s 2451 -0.770396 164 C s 2856 -0.665367 191 C s 1521 -0.634755 102 C s 3051 0.634075 204 C s Vector 1061 Occ=0.000000D+00 E= 4.523579D-01 MO Center= -1.4D-01, 1.8D-01, 1.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1416 0.831809 95 C s 381 0.690250 26 C s 1521 -0.656328 102 C s 981 0.615567 66 C s 1281 -0.593937 86 C s 1206 -0.587582 81 C s 36 -0.547053 3 C s 81 -0.548153 6 C s 1791 -0.544058 120 C s 261 0.522763 18 C s Vector 1062 Occ=0.000000D+00 E= 4.537807D-01 MO Center= -4.3D-02, 6.6D-01, -1.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2811 1.143716 188 C s 1686 1.058699 113 C s 1341 1.020183 90 C s 2121 -0.999013 142 C s 2046 0.957056 137 C s 1491 -0.918424 100 C s 186 -0.874843 13 C s 981 -0.873268 66 C s 996 0.869350 67 C s 2061 0.870755 138 C s Vector 1063 Occ=0.000000D+00 E= 4.539301D-01 MO Center= -5.8D-01, -3.0D-01, -2.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2076 1.253998 139 C s 486 -0.991450 33 C s 1866 0.934058 125 C s 261 -0.901897 18 C s 1611 0.903683 108 C s 2646 -0.876223 177 C s 2586 0.871606 173 C s 291 0.835197 20 C s 966 -0.742106 65 C s 2676 0.714662 179 C s Vector 1064 Occ=0.000000D+00 E= 4.541550D-01 MO Center= 3.9D-01, 6.5D-02, -1.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 861 1.154382 58 C s 2601 1.030543 174 C s 876 -0.990575 59 C s 1146 0.979607 77 C s 1596 0.971302 107 C s 3531 0.937139 236 C s 1956 0.883398 131 C s 2886 0.792048 193 C s 3591 -0.785463 240 C s 1161 -0.771579 78 C s Vector 1065 Occ=0.000000D+00 E= 4.544477D-01 MO Center= 4.1D-01, -4.1D-01, 3.1D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 696 1.291545 47 C s 3351 1.235073 224 C s 3591 -0.914843 240 C s 876 -0.793668 59 C s 891 -0.767664 60 C s 2136 -0.764743 143 C s 3411 -0.743297 228 C s 546 -0.722320 37 C s 1506 -0.693365 101 C s 801 -0.685491 54 C s Vector 1066 Occ=0.000000D+00 E= 4.551271D-01 MO Center= -3.5D-01, 1.3D-01, -5.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1971 1.069443 132 C s 1776 0.919831 119 C s 2061 -0.863764 138 C s 2376 0.863149 159 C s 2391 -0.847238 160 C s 2886 -0.790708 193 C s 1791 -0.781154 120 C s 2871 0.755864 192 C s 1026 0.739840 69 C s 3351 -0.709261 224 C s Vector 1067 Occ=0.000000D+00 E= 4.561149D-01 MO Center= -1.8D-01, -1.9D-01, 1.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3531 1.057608 236 C s 2796 -0.957590 187 C s 2811 0.910390 188 C s 2061 0.861528 138 C s 186 0.810051 13 C s 1881 0.794824 126 C s 861 0.731052 58 C s 2271 0.681707 152 C s 1506 -0.670063 101 C s 2451 0.658426 164 C s Vector 1068 Occ=0.000000D+00 E= 4.564533D-01 MO Center= 9.3D-02, 2.3D-01, 2.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2796 1.012903 187 C s 1701 0.998606 114 C s 2391 0.917745 160 C s 2601 -0.830930 174 C s 3351 0.804938 224 C s 3591 -0.787203 240 C s 2856 -0.781668 191 C s 291 0.749716 20 C s 381 -0.730784 26 C s 741 0.695169 50 C s Vector 1069 Occ=0.000000D+00 E= 4.572322D-01 MO Center= 1.6D-01, -2.4D-01, 3.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3471 1.252317 232 C s 531 1.145025 36 C s 876 -0.800913 59 C s 891 -0.794368 60 C s 1221 0.781836 82 C s 1956 -0.751562 131 C s 486 0.699922 33 C s 2376 0.682542 159 C s 2436 -0.665090 163 C s 2661 0.658684 178 C s Vector 1070 Occ=0.000000D+00 E= 4.575811D-01 MO Center= -5.0D-02, 2.9D-01, 4.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 546 1.261783 37 C s 3411 1.199083 228 C s 276 0.815359 19 C s 1026 0.778648 69 C s 591 0.677175 40 C s 1941 -0.673488 130 C s 1116 -0.666010 75 C s 2901 -0.668776 194 C s 2586 0.640235 173 C s 396 -0.635129 27 C s Vector 1071 Occ=0.000000D+00 E= 4.594743D-01 MO Center= 1.1D-01, -1.2D-01, 2.0D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1011 1.097628 68 C s 156 1.088212 11 C s 276 1.074300 19 C s 1131 1.072629 76 C s 1326 1.064825 89 C s 171 -0.838904 12 C s 996 -0.793488 67 C s 1341 -0.794620 90 C s 1146 -0.751110 77 C s 291 -0.713988 20 C s Vector 1072 Occ=0.000000D+00 E= 4.613452D-01 MO Center= 2.0D-01, -4.2D-02, -2.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1656 0.814137 111 C s 1536 0.784454 103 C s 2406 0.750957 161 C s 2631 0.752259 176 C s 2811 0.706614 188 C s 2961 0.649496 198 C s 1881 0.641276 126 C s 1611 -0.634818 108 C s 51 -0.626943 4 C s 2001 -0.619829 134 C s Vector 1073 Occ=0.000000D+00 E= 4.618576D-01 MO Center= -1.4D-01, 5.7D-02, -3.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1971 0.817114 132 C s 1626 0.800559 109 C s 1701 -0.758284 114 C s 1746 0.743423 117 C s 2616 0.721329 175 C s 1161 0.696746 78 C s 1806 -0.673629 121 C s 1956 -0.631691 131 C s 2301 0.620837 154 C s 651 0.614921 44 C s Vector 1074 Occ=0.000000D+00 E= 4.627720D-01 MO Center= -1.4D-01, 3.5D-01, 2.1D+00, r^2= 4.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 861 0.654689 58 C s 681 -0.586559 46 C s 2421 -0.562707 162 C s 846 -0.529884 57 C s 1251 0.518380 84 C s 1356 -0.511224 91 C s 3531 0.512500 236 C s 876 -0.494940 59 C s 1416 0.484342 95 C s 531 -0.464168 36 C s Vector 1075 Occ=0.000000D+00 E= 4.632377D-01 MO Center= -1.5D-01, -1.3D-01, 8.1D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 561 -0.979370 38 C s 546 0.955024 37 C s 696 -0.895200 47 C s 3411 0.815532 228 C s 681 0.778678 46 C s 3351 -0.705340 224 C s 2091 0.626116 140 C s 2751 0.616341 184 C s 756 -0.604316 51 C s 3366 -0.580249 225 C s Vector 1076 Occ=0.000000D+00 E= 4.632726D-01 MO Center= 3.2D-01, -2.0D-01, 1.4D+00, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 531 0.901553 36 C s 3471 0.879943 232 C s 576 -0.810916 39 C s 861 -0.777490 58 C s 846 0.767566 57 C s 1251 -0.586301 84 C s 3531 -0.560553 236 C s 321 0.541912 22 C s 2826 -0.520063 189 C s 3426 -0.517031 229 C s Vector 1077 Occ=0.000000D+00 E= 4.675852D-01 MO Center= 6.7D-02, 1.2D-02, 1.3D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2226 0.351917 149 C s 2961 -0.278306 198 C s 981 -0.244144 66 C s 1431 -0.244400 96 C s 1161 0.233324 78 C s 2751 -0.234453 184 C s 3036 0.234195 203 C s 1941 -0.226873 130 C s 21 0.224467 2 C s 1896 -0.216746 127 C s Vector 1078 Occ=0.000000D+00 E= 4.686096D-01 MO Center= 5.2D-01, 2.3D-01, 7.4D-01, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3276 0.548481 219 C s 2331 -0.530345 156 C s 1416 0.524685 95 C s 3156 -0.496911 211 C s 2541 0.449074 170 C s 2766 -0.445311 185 C s 2751 0.419002 184 C s 621 -0.381235 42 C s 261 -0.367587 18 C s 426 0.368748 29 C s Vector 1079 Occ=0.000000D+00 E= 4.693467D-01 MO Center= 1.6D-01, 5.9D-02, -8.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3096 1.013245 207 C s 3216 -0.871800 215 C s 981 -0.831249 66 C s 2976 0.776252 199 C s 3276 -0.779684 219 C s 2226 0.746426 149 C s 486 0.727781 33 C s 891 -0.712577 60 C s 2451 -0.701633 164 C s 2556 -0.688658 171 C s Vector 1080 Occ=0.000000D+00 E= 4.695295D-01 MO Center= 4.4D-01, 7.9D-03, -9.9D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3036 0.860123 203 C s 3156 -0.832094 211 C s 2766 -0.712126 185 C s 381 -0.696750 26 C s 2346 0.653044 157 C s 3216 -0.643125 215 C s 186 -0.595635 13 C s 1506 0.574745 101 C s 1026 0.567648 69 C s 1926 -0.566183 129 C s Vector 1081 Occ=0.000000D+00 E= 4.696706D-01 MO Center= -6.7D-01, -1.5D-01, -1.7D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3036 0.455304 203 C s 3156 -0.403368 211 C s 2466 0.371190 165 C s 1026 0.332583 69 C s 2766 -0.322753 185 C s 1476 -0.320837 99 C s 1776 -0.312319 119 C s 126 -0.309454 9 C s 3261 -0.305135 218 C s 1161 0.302475 78 C s Vector 1082 Occ=0.000000D+00 E= 4.714637D-01 MO Center= 7.9D-02, -1.6D-01, 1.2D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1341 0.987520 90 C s 2061 -0.844374 138 C s 2376 0.827474 159 C s 2601 0.764946 174 C s 1146 -0.699687 77 C s 2046 -0.613035 137 C s 2391 -0.601077 160 C s 2811 -0.594393 188 C s 1596 -0.591119 107 C s 2586 -0.587501 173 C s Vector 1083 Occ=0.000000D+00 E= 4.722707D-01 MO Center= -3.6D-01, 7.8D-02, 2.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1971 -0.894653 132 C s 291 0.853815 20 C s 1776 0.781423 119 C s 1956 0.664284 131 C s 2586 0.626291 173 C s 2796 -0.619156 187 C s 2151 -0.606394 144 C s 171 -0.584845 12 C s 996 0.581082 67 C s 1791 -0.522379 120 C s Vector 1084 Occ=0.000000D+00 E= 4.730973D-01 MO Center= -2.0D-02, -6.0D-02, -2.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1341 0.992862 90 C s 3411 0.720253 228 C s 876 0.678716 59 C s 291 -0.639499 20 C s 996 0.584877 67 C s 3591 -0.582224 240 C s 1491 -0.552752 100 C s 2001 -0.540611 134 C s 2601 -0.528091 174 C s 2556 -0.498685 171 C s Vector 1085 Occ=0.000000D+00 E= 4.731688D-01 MO Center= -1.6D-02, 3.6D-01, -1.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2811 -0.714448 188 C s 231 0.692267 16 C s 876 -0.632423 59 C s 171 0.588104 12 C s 1686 0.572115 113 C s 1866 0.572116 125 C s 1281 -0.550916 86 C s 2601 -0.544341 174 C s 2151 -0.498938 144 C s 1131 0.486748 76 C s Vector 1086 Occ=0.000000D+00 E= 4.736487D-01 MO Center= -3.4D-02, -1.1D-01, -3.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1146 1.039957 77 C s 3471 0.696034 232 C s 2841 -0.658181 190 C s 3351 -0.658686 224 C s 696 0.608591 47 C s 531 -0.556995 36 C s 171 -0.550688 12 C s 2886 -0.525079 193 C s 3531 0.508930 236 C s 681 -0.479158 46 C s Vector 1087 Occ=0.000000D+00 E= 4.744013D-01 MO Center= -1.5D-02, 9.7D-02, 5.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1656 -0.831137 111 C s 1566 0.791240 105 C s 696 0.758516 47 C s 1536 -0.746556 103 C s 2661 0.725857 178 C s 1896 0.717518 127 C s 2451 -0.668969 164 C s 186 0.652641 13 C s 2121 -0.645086 142 C s 291 -0.620281 20 C s Vector 1088 Occ=0.000000D+00 E= 4.748048D-01 MO Center= 2.6D-01, -4.1D-01, 9.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1836 0.907399 123 C s 531 0.799518 36 C s 861 -0.740400 58 C s 2646 0.722624 177 C s 306 -0.700098 21 C s 996 -0.702453 67 C s 1416 -0.692598 95 C s 1746 -0.688375 117 C s 1716 0.679737 115 C s 1491 0.653884 100 C s Vector 1089 Occ=0.000000D+00 E= 4.750665D-01 MO Center= -1.2D-01, 1.6D-01, -1.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1956 1.191482 131 C s 2586 1.156149 173 C s 2796 1.119933 187 C s 2376 1.101770 159 C s 2061 0.954674 138 C s 1506 0.887728 101 C s 1521 -0.859960 102 C s 1686 0.854415 113 C s 1971 -0.827308 132 C s 1866 0.820575 125 C s Vector 1090 Occ=0.000000D+00 E= 4.762925D-01 MO Center= 7.0D-01, 5.5D-01, 3.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3531 0.971200 236 C s 1416 -0.827764 95 C s 996 -0.790158 67 C s 1776 -0.790418 119 C s 651 -0.750002 44 C s 981 0.744101 66 C s 1056 -0.707922 71 C s 1866 0.699986 125 C s 2721 0.696785 182 C s 861 -0.689020 58 C s Vector 1091 Occ=0.000000D+00 E= 4.766055D-01 MO Center= -3.2D-01, -7.6D-01, 4.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 531 -0.920297 36 C s 1596 -0.913816 107 C s 291 0.868318 20 C s 546 0.814281 37 C s 2631 -0.756332 176 C s 3351 0.757172 224 C s 861 0.738735 58 C s 1716 -0.733783 115 C s 261 -0.723259 18 C s 981 -0.717798 66 C s Vector 1092 Occ=0.000000D+00 E= 4.775383D-01 MO Center= -1.1D-01, 1.2D-01, 3.7D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1011 0.690249 68 C s 621 -0.507336 42 C s 1326 0.448273 89 C s 1161 0.438158 78 C s 156 0.415011 11 C s 2586 0.416456 173 C s 726 -0.397997 49 C s 1776 0.385758 119 C s 2151 -0.386847 144 C s 516 0.380306 35 C s Vector 1093 Occ=0.000000D+00 E= 4.778192D-01 MO Center= -5.6D-02, -3.3D-04, 1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 276 1.039201 19 C s 381 1.011964 26 C s 2676 -0.979639 179 C s 1506 0.784249 101 C s 2661 0.774632 178 C s 1011 -0.748077 68 C s 2646 0.737550 177 C s 546 0.703095 37 C s 2856 0.703455 191 C s 1161 -0.696245 78 C s Vector 1094 Occ=0.000000D+00 E= 4.785633D-01 MO Center= 1.3D-01, -1.2D-01, 8.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 156 1.053654 11 C s 2436 0.917217 163 C s 2466 -0.902134 165 C s 1326 -0.880529 89 C s 891 -0.862863 60 C s 1131 -0.810082 76 C s 1416 0.814023 95 C s 2016 -0.795872 135 C s 2871 -0.760793 192 C s 2451 0.753452 164 C s Vector 1095 Occ=0.000000D+00 E= 4.796120D-01 MO Center= 4.1D-01, 2.2D-02, 5.5D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3351 0.741969 224 C s 3411 -0.691743 228 C s 531 0.632443 36 C s 561 0.592784 38 C s 3366 0.555545 225 C s 3426 -0.538225 229 C s 1596 -0.494724 107 C s 2616 0.491735 175 C s 576 -0.481749 39 C s 861 -0.482503 58 C s Vector 1096 Occ=0.000000D+00 E= 4.797759D-01 MO Center= -1.7D-01, 1.4D-01, 6.8D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 546 0.675544 37 C s 291 0.644546 20 C s 2826 0.609746 189 C s 846 0.562424 57 C s 486 -0.548985 33 C s 3546 -0.543436 237 C s 3591 0.541619 240 C s 3531 -0.509898 236 C s 3471 0.483994 232 C s 1866 -0.470046 125 C s Vector 1097 Occ=0.000000D+00 E= 4.800302D-01 MO Center= -2.8D-01, 1.5D-01, -7.1D-01, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2871 0.520418 192 C s 2076 0.384194 139 C s 1986 0.378833 133 C s 1491 0.373452 100 C s 2451 -0.361389 164 C s 2136 -0.353530 143 C s 1971 -0.338301 132 C s 2811 -0.336502 188 C s 1896 -0.329920 127 C s 696 0.324524 47 C s Vector 1098 Occ=0.000000D+00 E= 4.815616D-01 MO Center= 1.9D-01, 2.9D-01, -8.1D-01, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1971 0.572323 132 C s 1146 -0.493235 77 C s 3351 0.489219 224 C s 1026 0.449423 69 C s 2211 0.433433 148 C s 1806 -0.394574 121 C s 2661 0.386126 178 C s 186 -0.381385 13 C s 2826 0.378751 189 C s 2001 0.368524 134 C s Vector 1099 Occ=0.000000D+00 E= 4.822560D-01 MO Center= -3.9D-01, -2.8D-01, -1.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3591 0.948014 240 C s 3531 -0.810159 236 C s 3351 -0.728051 224 C s 336 -0.695595 23 C s 2106 0.693841 141 C s 936 0.649228 63 C s 1386 -0.642444 93 C s 891 -0.620668 60 C s 786 0.596608 53 C s 1881 -0.585931 126 C s Vector 1100 Occ=0.000000D+00 E= 4.827140D-01 MO Center= 3.7D-01, 8.5D-02, -1.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3471 0.912532 232 C s 3411 -0.822815 228 C s 2616 -0.750241 175 C s 771 -0.712026 52 C s 1611 -0.714261 108 C s 351 -0.701627 24 C s 1371 0.696617 92 C s 2631 0.666987 176 C s 2601 0.631467 174 C s 2841 -0.631850 190 C s Vector 1101 Occ=0.000000D+00 E= 4.880303D-01 MO Center= -9.1D-02, -1.3D-01, -2.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2376 -0.689061 159 C s 2436 0.670394 163 C s 1866 -0.665471 125 C s 171 0.638166 12 C s 2076 0.634908 139 C s 891 0.627901 60 C s 876 -0.605459 59 C s 3591 0.603914 240 C s 1161 0.600661 78 C s 2856 -0.591369 191 C s Vector 1102 Occ=0.000000D+00 E= 4.884278D-01 MO Center= 1.2D-02, -9.9D-02, -1.5D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1281 0.271098 86 C s 1176 0.247541 79 C s 726 0.237162 49 C s 3591 -0.236506 240 C s 1401 -0.208960 94 C s 3396 0.208956 227 C s 396 0.201713 27 C s 1311 -0.198453 88 C s 231 -0.191918 16 C s 996 0.190501 67 C s Vector 1103 Occ=0.000000D+00 E= 4.886091D-01 MO Center= 3.0D-01, 5.9D-02, 6.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 531 0.773275 36 C s 546 -0.743331 37 C s 696 0.625929 47 C s 2391 0.600688 160 C s 2646 0.582961 177 C s 261 -0.575875 18 C s 291 0.557316 20 C s 2661 0.557776 178 C s 2796 0.541449 187 C s 3471 -0.539106 232 C s Vector 1104 Occ=0.000000D+00 E= 4.889480D-01 MO Center= -1.6D-01, 5.3D-02, 5.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2016 0.708118 135 C s 861 0.684407 58 C s 1416 -0.644933 95 C s 876 -0.622360 59 C s 2811 0.624757 188 C s 3531 -0.620409 236 C s 1341 0.608707 90 C s 696 0.535191 47 C s 2061 0.500709 138 C s 1956 -0.476032 131 C s Vector 1105 Occ=0.000000D+00 E= 4.890442D-01 MO Center= -1.9D-02, 4.8D-02, -3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1971 -0.674306 132 C s 1776 0.664888 119 C s 1956 0.589299 131 C s 2121 -0.572496 142 C s 1791 -0.551710 120 C s 2586 -0.543508 173 C s 2601 0.539535 174 C s 1596 -0.534380 107 C s 1506 -0.521536 101 C s 1521 0.507722 102 C s Vector 1106 Occ=0.000000D+00 E= 4.894521D-01 MO Center= 1.8D-02, 2.6D-01, 1.5D+00, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2646 0.301024 177 C s 1416 0.288393 95 C s 186 0.253982 13 C s 546 0.231495 37 C s 291 0.228726 20 C s 2376 -0.228698 159 C s 891 0.224084 60 C s 1311 0.211170 88 C s 2871 0.205233 192 C s 1611 0.202857 108 C s Vector 1107 Occ=0.000000D+00 E= 4.911154D-01 MO Center= 4.8D-01, 6.8D-02, -7.3D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3411 0.459517 228 C s 3471 -0.432498 232 C s 366 -0.405929 25 C s 546 -0.377495 37 C s 126 0.338897 9 C s 2601 -0.339827 174 C s 1956 -0.334344 131 C s 1791 0.317897 120 C s 3351 -0.307003 224 C s 3412 -0.291852 228 C px Vector 1108 Occ=0.000000D+00 E= 4.917508D-01 MO Center= -5.8D-01, -3.1D-01, -7.6D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3591 -0.364953 240 C s 801 0.335595 54 C s 1401 -0.332043 94 C s 3351 0.325668 224 C s 3531 0.311567 236 C s 1881 0.273635 126 C s 1926 -0.264020 129 C s 2811 -0.259147 188 C s 666 0.254147 45 C s 966 0.255407 65 C s Vector 1109 Occ=0.000000D+00 E= 4.944137D-01 MO Center= 6.9D-02, -5.1D-02, -8.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2871 0.900988 192 C s 2661 0.884428 178 C s 2451 0.800025 164 C s 2136 0.761722 143 C s 2031 0.746153 136 C s 2436 -0.744216 163 C s 2121 -0.687082 142 C s 2016 -0.667026 135 C s 2646 -0.656054 177 C s 3171 0.635562 212 C s Vector 1110 Occ=0.000000D+00 E= 4.960763D-01 MO Center= 2.5D-03, -1.2D-01, 1.8D+00, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1386 -0.379970 93 C s 81 0.348350 6 C s 111 0.332689 8 C s 711 0.319475 48 C s 1116 -0.314416 75 C s 1221 -0.299838 82 C s 546 -0.297149 37 C s 741 -0.296240 50 C s 1641 0.297001 110 C s 306 0.276399 21 C s Vector 1111 Occ=0.000000D+00 E= 4.968991D-01 MO Center= -5.5D-01, 9.9D-02, 4.0D-01, r^2= 5.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 786 0.347923 53 C s 141 0.339738 10 C s 1296 0.323058 87 C s 1221 0.264219 82 C s 1311 0.255094 88 C s 2571 -0.254907 172 C s 3516 -0.253706 235 C s 3321 -0.235172 222 C s 1416 -0.232771 95 C s 1686 0.226835 113 C s Vector 1112 Occ=0.000000D+00 E= 4.971484D-01 MO Center= 6.4D-01, 3.5D-01, 1.4D+00, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1056 0.340565 71 C s 381 0.334099 26 C s 846 -0.299171 57 C s 591 -0.297403 40 C s 321 -0.295922 22 C s 1176 -0.294464 79 C s 1161 -0.283974 78 C s 426 0.280557 29 C s 1266 -0.268786 85 C s 621 -0.267149 42 C s Vector 1113 Occ=0.000000D+00 E= 4.976767D-01 MO Center= 2.9D-02, -6.8D-02, 1.1D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1146 -0.777125 77 C s 996 0.763106 67 C s 51 0.755933 4 C s 1386 0.723136 93 C s 711 -0.686617 48 C s 351 -0.663615 24 C s 1071 -0.665222 72 C s 3531 0.663391 236 C s 1461 -0.651522 98 C s 261 0.643811 18 C s Vector 1114 Occ=0.000000D+00 E= 4.983341D-01 MO Center= 2.1D-01, 7.4D-02, 5.1D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2796 -0.906236 187 C s 951 0.831010 64 C s 531 -0.713631 36 C s 981 -0.706528 66 C s 171 0.689371 12 C s 1866 0.685585 125 C s 651 -0.677416 44 C s 456 0.673423 31 C s 3591 -0.643325 240 C s 876 0.610760 59 C s Vector 1115 Occ=0.000000D+00 E= 4.992448D-01 MO Center= -9.6D-02, 6.7D-02, 2.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 891 -0.784240 60 C s 381 0.739343 26 C s 1161 -0.695574 78 C s 1866 0.630324 125 C s 2436 -0.574260 163 C s 291 -0.564180 20 C s 486 0.559387 33 C s 2856 0.550695 191 C s 1701 0.536294 114 C s 171 -0.504989 12 C s Vector 1116 Occ=0.000000D+00 E= 5.001506D-01 MO Center= -5.5D-02, 2.8D-02, 1.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 186 0.854947 13 C s 1506 -0.844978 101 C s 1956 0.792336 131 C s 1791 -0.771016 120 C s 261 -0.701580 18 C s 2451 -0.702683 164 C s 2646 0.671799 177 C s 2391 0.639872 160 C s 1971 -0.612948 132 C s 1776 0.600921 119 C s center of mass -------------- x = 0.00000000 y = 0.00000000 z = 0.00000000 moments of inertia (a.u.) ------------------ 347280.027911549667 30.176314470486 158.566643858930 30.176314470486 347661.167754007271 -188.204847796730 158.566643858930 -188.204847796730 347347.805336814257 Multipole analysis of the density --------------------------------- L x y z total alpha beta nuclear - - - - ----- ----- ---- ------- 0 0 0 0 -0.000000 -720.000000 -720.000000 1440.000000 1 1 0 0 -0.111412 -0.055706 -0.055706 0.000000 1 0 1 0 -0.381474 -0.190737 -0.190737 0.000000 1 0 0 1 -2.225355 -1.112677 -1.112677 0.000000 2 2 0 0 -947.413817 -43939.825056 -43939.825056 86932.236295 2 1 1 0 13.336519 14.212338 14.212338 -15.088157 2 1 0 1 0.230889 39.757106 39.757106 -79.283322 2 0 2 0 -964.083522 -43852.874948 -43852.874948 86741.666374 2 0 1 1 3.956091 -45.073167 -45.073167 94.102424 2 0 0 2 -981.711168 -43940.029375 -43940.029375 86898.347582 !! warning: dft energy failed Task times cpu: 955.2s wall: 964.2s NWChem Input Module ------------------- Summary of allocated global arrays ----------------------------------- No active global arrays GA Statistics for process 0 ------------------------------ create destroy get put acc scatter gather read&inc calls: 102 102 5.46e+04 2.32e+04 2.18e+04 0 0 1176 number of processes/call 1.40e+00 1.14e+00 1.15e+00 0.00e+00 0.00e+00 bytes total: 2.28e+09 3.46e+08 1.50e+09 0.00e+00 0.00e+00 9.41e+03 bytes remote: 2.15e+09 3.23e+08 1.46e+09 0.00e+00 0.00e+00 0.00e+00 Max memory consumed for GA by this process: 222566400 bytes MA_summarize_allocated_blocks: starting scan ... heap block 'gridpts', handle 112, address 0x12be1db0: type of elements: double precision number of elements: 16614935 address of client space: 0x12be1e40 index for client space: 8464369 total number of bytes: 132919632 MA_summarize_allocated_blocks: scan completed: 1 heap block, 0 stack blocks MA usage statistics: allocation statistics: heap stack ---- ----- current number of blocks 1 0 maximum number of blocks 24 51 current total bytes 132919632 0 maximum total bytes 138183712 599343400 maximum total K-bytes 138184 599344 maximum total M-bytes 139 600 CITATION -------- Please cite the following reference when publishing results obtained with NWChem: M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong "NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010) doi:10.1016/j.cpc.2010.04.018 AUTHORS ------- E. Apra, E. J. Bylaska, W. A. de Jong, N. Govind, K. Kowalski, T. P. Straatsma, M. Valiev, H. J. J. van Dam, D. Wang, T. L. Windus, J. Hammond, J. Autschbach, K. Bhaskaran-Nair, J. Brabec, K. Lopata, S. A. Fischer, S. Krishnamoorthy, W. Ma, M. Klemm, O. Villa, Y. Chen, V. Anisimov, F. Aquino, S. Hirata, M. T. Hackler, T. Risthaus, M. Malagoli, A. Marenich, A. Otero-de-la-Roza, J. Mullin, P. Nichols, R. Peverati, J. Pittner, Y. Zhao, P.-D. Fan, A. Fonari, M. Williamson, R. J. Harrison, J. R. Rehr, M. Dupuis, D. Silverstein, D. M. A. Smith, J. Nieplocha, V. Tipparaju, M. Krishnan, B. E. Van Kuiken, A. Vazquez-Mayagoitia, L. Jensen, M. Swart, Q. Wu, T. Van Voorhis, A. A. Auer, M. Nooijen, L. D. Crosby, E. Brown, G. Cisneros, G. I. Fann, H. Fruchtl, J. Garza, K. Hirao, R. A. Kendall, J. A. Nichols, K. Tsemekhman, K. Wolinski, J. Anchell, D. E. Bernholdt, P. Borowski, T. Clark, D. Clerc, H. Dachsel, M. J. O. Deegan, K. Dyall, D. Elwood, E. Glendening, M. Gutowski, A. C. Hess, J. Jaffe, B. G. Johnson, J. Ju, R. Kobayashi, R. Kutteh, Z. Lin, R. Littlefield, X. Long, B. Meng, T. Nakajima, S. Niu, L. Pollack, M. Rosing, K. Glaesemann, G. Sandrone, M. Stave, H. Taylor, G. Thomas, J. H. van Lenthe, A. T. Wong, Z. Zhang. Total times cpu: 955.3s wall: 964.5s Application 1083213 resources: utime ~245476s, stime ~1626s, Rss ~898988, inblocks ~4209695, outblocks ~3664983 Displaying test.log: ['/scratch/system/bwjenkins/tests/nwchem/6.6'] /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/retest : batch submitted (2) argument 1 = Input_c240_pbe0.nw ============================== echo of input deck ============================== echo start c240 memory stack 600 mb heap 50 mb global 400 mb noverify #scratch_dir /scratch geometry units angstrom noautoz symmetry c1 C -2.281342 4.587967 4.598389 C -2.163620 5.608307 3.610657 C -3.035400 5.630814 2.448380 C -2.598221 6.220490 1.216995 C -3.314468 5.983368 -0.007492 C -4.476868 4.028839 3.625458 C -4.205200 4.810272 2.468735 C -4.930496 4.563858 1.218552 C -4.491714 5.125992 0.012085 C -3.447052 3.781830 4.620193 C 0.158890 4.818054 5.102020 C 0.181076 5.961777 4.279022 C -0.947586 6.359512 3.557632 C -1.093765 4.176498 5.349075 C -2.306000 2.143768 6.094131 C -1.128693 2.963745 6.079330 C -3.478760 2.552400 5.362061 C -5.606659 3.143860 3.598740 C -4.514542 1.590210 5.133850 C -5.613495 1.966141 4.312393 C 2.575500 4.476532 4.583984 C 2.492889 5.511398 3.581207 C 3.308090 5.489700 2.422394 C 2.847504 6.086060 1.169830 C 3.512115 5.847488 -0.032288 C 1.295074 6.313600 3.553452 C 1.413100 4.120712 5.337097 C -5.046661 -0.794907 4.618820 C -5.996689 -0.366486 3.621780 C -6.281952 -1.177551 2.471466 C -6.721237 -0.573166 1.231200 C -6.721115 -1.326370 0.017288 C -6.335770 1.023224 3.591690 C -4.304977 0.188828 5.360260 C -3.139084 -0.212646 6.100311 C 0.081879 1.156265 7.191818 C -1.038132 0.381668 7.199600 C -2.242004 0.793808 6.564178 C 0.127670 2.411163 6.554962 C 1.376022 2.901947 6.075867 C 3.720000 3.613846 4.564987 C 4.715469 3.818283 3.572525 C 4.463913 4.636276 2.403183 C 5.154221 4.405411 1.174545 C 4.703796 5.001190 -0.053680 C -1.432159 -1.956421 6.577133 C -0.670486 -0.942596 7.229706 C -2.747894 -1.603119 6.094482 C -3.478989 -2.567642 5.369919 C -4.653976 -2.161926 4.614151 C -5.197128 -3.049683 3.633484 C -5.866226 -2.544052 2.466766 C -5.855911 -3.303268 1.231827 C -6.267044 -2.707489 0.017838 C 3.690735 2.376968 5.327179 C 2.543076 2.028885 6.067291 C 2.407074 0.684982 6.557129 C 1.191437 0.332932 7.221466 C 0.735352 -0.992142 7.238327 C 5.815781 2.895920 3.521881 C 5.106384 -1.031204 4.567413 C 6.064880 -0.636398 3.567581 C 6.291779 -1.429077 2.410324 C 6.709442 -0.811920 1.156600 C 6.670029 -1.524933 -0.042038 C 6.465179 0.748276 3.528030 C 5.785538 1.705963 4.250702 C 4.698105 1.373444 5.076614 C -2.921341 -5.753769 3.571700 C -1.487717 -5.855667 3.604904 C -0.814056 -6.373337 2.439957 C -1.521591 -6.589935 1.212067 C -0.815628 -6.809708 -0.011185 C -0.792786 -5.097672 4.590271 C -1.485077 -4.082718 5.352325 C -2.900360 -3.862656 5.117722 C -3.587784 -4.775269 4.304123 C -4.712662 -4.402771 3.588531 C 3.444565 -2.729233 5.321991 C 4.630356 -2.377792 4.561539 C 4.410477 -0.023636 5.322876 C 3.247955 -0.368011 6.066437 C 2.762085 -1.735260 6.064392 C 1.442551 -2.028824 6.561111 C 0.640442 -5.132553 4.589569 C 1.380905 -4.153290 5.334854 C 0.702087 -3.152420 6.076965 C -0.757339 -3.118744 6.084885 C 2.800186 -3.994095 5.084030 C 3.450073 -4.936371 4.267776 C 1.306732 -5.928940 3.596436 C 0.622620 -6.397705 2.441010 C 1.336914 -6.618240 1.192703 C 0.644928 -6.807007 -0.008987 C 2.748398 -5.885086 3.554871 C 5.132614 -3.274719 3.574570 C 5.831253 -2.789703 2.405655 C 5.815720 -3.527924 1.179398 C 6.233582 -2.920303 -0.049622 C 4.591705 -4.604752 3.537811 C -0.536224 6.964478 2.354218 C 0.865067 6.926071 2.338135 C -1.295303 6.826416 1.124420 C -0.615600 6.915833 -0.126144 C 1.558655 6.737503 1.117233 C 0.841339 6.865524 -0.143723 C -6.798706 1.610200 2.390091 C -6.335495 2.932495 2.383636 C -6.904129 0.850052 1.160095 C -6.788712 1.533768 -0.095245 C -5.947433 3.545502 1.160583 C -6.294678 2.900757 -0.100662 C -3.622513 -6.001526 2.374680 C -4.738495 -5.151596 2.377151 C -2.937469 -6.324844 1.140594 C -3.552536 -5.997055 -0.107941 C -5.204193 -4.585709 1.156250 C -4.703308 -5.107895 -0.102310 C 4.608597 -5.347473 2.340088 C 3.449066 -6.142365 2.339508 C 5.127106 -4.795273 1.103149 C 4.622421 -5.273941 -0.141754 C 2.765274 -6.401215 1.122559 C 3.411179 -6.087860 -0.141541 C 6.517166 2.688507 2.318253 C 6.914017 1.340561 2.308716 C 6.145111 3.358047 1.084030 C 6.432526 2.735504 -0.162582 C 6.938019 0.615250 1.091568 C 6.828200 1.329849 -0.172058 C -3.455124 6.047440 -2.451965 C -4.575836 5.227280 -2.436646 C -5.061386 4.679428 -1.252472 C -2.749603 6.367615 -1.258362 C -2.818665 5.899277 -3.670929 C -4.682037 4.552826 -3.662720 C -3.557434 4.928391 -4.437302 C -6.875809 -1.431961 -2.431549 C -6.450317 -2.769424 -2.431427 C -6.032990 -3.397964 -1.228561 C -6.935455 -0.663528 -1.239548 C -6.525100 -0.876144 -3.653915 C -5.825485 -3.088028 -3.681732 C -5.831146 -1.887300 -4.433945 C -4.470474 -4.850616 -2.595810 C -3.319061 -5.720184 -2.600555 C -2.856995 -6.265854 -1.341095 C -5.131378 -4.527283 -1.323456 C -4.724380 -4.049622 -3.767029 C -2.440353 -5.731857 -3.768417 C -2.518555 -4.706360 -4.785233 C -5.970993 2.737595 -2.592667 C -6.449493 1.380569 -2.590363 C -6.835892 0.779312 -1.326202 C -5.871643 3.476044 -1.321472 C -5.271408 3.216843 -3.755997 C -6.182053 0.535034 -3.755081 C -5.221054 0.920914 -4.770538 C -0.758102 -6.964478 -2.451019 C 0.634155 -6.960739 -2.449203 C 1.354126 -6.790009 -1.273132 C -1.506546 -6.797913 -1.257187 C -1.195190 -6.487274 -3.668304 C 1.110840 -6.501007 -3.681808 C -0.027176 -6.147339 -4.447739 C 3.231964 -5.782028 -2.632065 C 4.421875 -4.962708 -2.636581 C 5.087051 -4.695862 -1.381500 C 2.724915 -6.302368 -1.353958 C 2.381287 -5.770859 -3.790039 C 4.692673 -4.129578 -3.808746 C 3.686279 -3.887543 -4.820602 C 6.384476 -2.905212 -2.490494 C 6.796951 -1.574600 -2.483414 C 6.858002 -0.841080 -1.309036 C 6.007751 -3.571213 -1.293045 C 5.791473 -3.173447 -3.706619 C 6.494781 -0.978134 -3.711731 C 5.813843 -1.952667 -4.479752 C 6.461014 1.259033 -2.656418 C 6.053055 2.645905 -2.653214 C 6.019531 3.360825 -1.400421 C 6.810013 0.614716 -1.381439 C 6.184235 0.455078 -3.811142 C 5.340179 3.162537 -3.820908 C 4.794952 2.279282 -4.829605 C 4.723389 5.161072 -2.496597 C 3.589966 5.971695 -2.479370 C 2.916763 6.250793 -1.298065 C 5.244339 4.590652 -1.300858 C 4.780960 4.508865 -3.714584 C 2.919205 5.865829 -3.707947 C 3.627640 4.910385 -4.482025 C 0.787903 6.515564 -2.633316 C -0.655273 6.543564 -2.619644 C -1.343689 6.722824 -1.360596 C 1.515320 6.646866 -1.359940 C 1.461395 6.007904 -3.796570 C -1.371109 6.021347 -3.783722 C -0.704391 5.234131 -4.799683 C 1.487015 4.197433 -5.560700 C 0.756012 5.231171 -4.814621 C 2.926880 3.972763 -5.329819 C 3.573654 2.674271 -5.569458 C 4.482239 -0.138321 -5.570816 C 5.236160 0.883300 -4.833100 C 4.712509 -1.580353 -5.330139 C 3.683426 -2.602142 -5.565200 C 1.292618 -4.333145 -5.553802 C 2.497345 -4.739594 -4.817734 C -0.008987 -4.988220 -5.303207 C -1.296432 -4.318054 -5.533035 C -3.681946 -2.577438 -5.526932 C -3.698471 -3.843857 -4.785553 C -4.711990 -1.546844 -5.282089 C -4.470688 -0.119995 -5.515869 C -3.550995 2.677689 -5.525055 C -4.759735 2.304413 -4.776276 C -2.889908 3.974976 -5.290649 C -1.459198 4.191818 -5.537811 C 1.459061 1.973221 -6.689713 C 0.746200 3.175430 -6.259521 C 2.828247 1.664368 -6.269196 C 0.689056 0.909729 -7.219086 C 2.366074 -0.804565 -6.693527 C 3.286438 0.249863 -6.271927 C 2.495361 -2.204208 -6.265991 C 1.117661 -0.401016 -7.221893 C 0.006531 -2.522263 -6.676620 C 1.293411 -3.075928 -6.260117 C -1.283264 -3.069443 -6.239258 C 0.004333 -1.212753 -7.212982 C -2.355179 -0.806305 -6.659775 C -2.483887 -2.196000 -6.233673 C -3.276642 0.249542 -6.226471 C -1.111603 -0.404495 -7.203903 C -1.455704 1.965561 -6.667694 C -2.816849 1.658600 -6.231796 C -0.737030 3.172806 -6.246613 C -0.688217 0.906082 -7.207108 end basis cartesian # 6-31G* EMSL Basis Set Exchange Library 9/15/09 10:05 AM # BASIS SET: (10s,4p,1d) -> [3s,2p,1d] C S 3047.5249000 0.0018347 457.3695100 0.0140373 103.9486900 0.0688426 29.2101550 0.2321844 9.2866630 0.4679413 3.1639270 0.3623120 C SP 7.8682724 -0.1193324 0.0689991 1.8812885 -0.1608542 0.3164240 0.5442493 1.1434564 0.7443083 C SP 0.1687144 1.0000000 1.0000000 C D 0.8000000 1.0000000 end dft xc pbe0 direct iterations 4 print "dft timings" end task dft energy ignore ================================================================================ Northwest Computational Chemistry Package (NWChem) 6.6 ------------------------------------------------------ Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Richland, WA 99352 Copyright (c) 1994-2015 Pacific Northwest National Laboratory Battelle Memorial Institute NWChem is an open-source computational chemistry package distributed under the terms of the Educational Community License (ECL) 2.0 A copy of the license is included with this distribution in the LICENSE.TXT file ACKNOWLEDGMENT -------------- This software and its documentation were developed at the EMSL at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, Office of Basic Energy Sciences, and the Office of Advanced Scientific Computing. Job information --------------- hostname = nid00063 program = nwchem date = Wed Sep 22 15:52:12 2021 compiled = Wed_Sep_22_15:50:53_2021 source = /scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/nwchem-6.6 nwchem branch = 6.6 nwchem revision = 27746 ga revision = 10594 input = Input_c240_pbe0.nw prefix = c240. data base = ./c240.db status = startup nproc = 248 time left = -1s Memory information ------------------ heap = 6553596 doubles = 50.0 Mbytes stack = 78643201 doubles = 600.0 Mbytes global = 52428800 doubles = 400.0 Mbytes (distinct from heap & stack) total = 137625597 doubles = 1050.0 Mbytes verify = no hardfail = no Directory information --------------------- 0 permanent = . 0 scratch = . NWChem Input Module ------------------- Scaling coordinates for geometry "geometry" by 1.889725989 (inverse scale = 0.529177249) Turning off AUTOSYM since SYMMETRY directive was detected! Geometry "geometry" -> "" ------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 C 6.0000 -2.30427388 4.60936584 4.67669561 2 C 6.0000 -2.18655188 5.62970584 3.68896361 3 C 6.0000 -3.05833188 5.65221284 2.52668661 4 C 6.0000 -2.62115288 6.24188884 1.29530161 5 C 6.0000 -3.33739988 6.00476684 0.07081461 6 C 6.0000 -4.49979988 4.05023784 3.70376461 7 C 6.0000 -4.22813188 4.83167084 2.54704161 8 C 6.0000 -4.95342788 4.58525684 1.29685861 9 C 6.0000 -4.51464588 5.14739084 0.09039161 10 C 6.0000 -3.46998388 3.80322884 4.69849961 11 C 6.0000 0.13595812 4.83945284 5.18032661 12 C 6.0000 0.15814412 5.98317584 4.35732861 13 C 6.0000 -0.97051788 6.38091084 3.63593861 14 C 6.0000 -1.11669688 4.19789684 5.42738161 15 C 6.0000 -2.32893188 2.16516684 6.17243761 16 C 6.0000 -1.15162488 2.98514384 6.15763661 17 C 6.0000 -3.50169188 2.57379884 5.44036761 18 C 6.0000 -5.62959088 3.16525884 3.67704661 19 C 6.0000 -4.53747388 1.61160884 5.21215661 20 C 6.0000 -5.63642688 1.98753984 4.39069961 21 C 6.0000 2.55256812 4.49793084 4.66229061 22 C 6.0000 2.46995712 5.53279684 3.65951361 23 C 6.0000 3.28515812 5.51109884 2.50070061 24 C 6.0000 2.82457212 6.10745884 1.24813661 25 C 6.0000 3.48918312 5.86888684 0.04601861 26 C 6.0000 1.27214212 6.33499884 3.63175861 27 C 6.0000 1.39016812 4.14211084 5.41540361 28 C 6.0000 -5.06959288 -0.77350816 4.69712661 29 C 6.0000 -6.01962088 -0.34508716 3.70008661 30 C 6.0000 -6.30488388 -1.15615216 2.54977261 31 C 6.0000 -6.74416888 -0.55176716 1.30950661 32 C 6.0000 -6.74404688 -1.30497116 0.09559461 33 C 6.0000 -6.35870188 1.04462284 3.66999661 34 C 6.0000 -4.32790888 0.21022684 5.43856661 35 C 6.0000 -3.16201588 -0.19124716 6.17861761 36 C 6.0000 0.05894712 1.17766384 7.27012461 37 C 6.0000 -1.06106388 0.40306684 7.27790661 38 C 6.0000 -2.26493588 0.81520684 6.64248461 39 C 6.0000 0.10473812 2.43256184 6.63326861 40 C 6.0000 1.35309012 2.92334584 6.15417361 41 C 6.0000 3.69706812 3.63524484 4.64329361 42 C 6.0000 4.69253712 3.83968184 3.65083161 43 C 6.0000 4.44098112 4.65767484 2.48148961 44 C 6.0000 5.13128912 4.42680984 1.25285161 45 C 6.0000 4.68086412 5.02258884 0.02462661 46 C 6.0000 -1.45509088 -1.93502216 6.65543961 47 C 6.0000 -0.69341788 -0.92119716 7.30801261 48 C 6.0000 -2.77082588 -1.58172016 6.17278861 49 C 6.0000 -3.50192088 -2.54624316 5.44822561 50 C 6.0000 -4.67690788 -2.14052716 4.69245761 51 C 6.0000 -5.22005988 -3.02828416 3.71179061 52 C 6.0000 -5.88915788 -2.52265316 2.54507261 53 C 6.0000 -5.87884288 -3.28186916 1.31013361 54 C 6.0000 -6.28997588 -2.68609016 0.09614461 55 C 6.0000 3.66780312 2.39836684 5.40548561 56 C 6.0000 2.52014412 2.05028384 6.14559761 57 C 6.0000 2.38414212 0.70638084 6.63543561 58 C 6.0000 1.16850512 0.35433084 7.29977261 59 C 6.0000 0.71242012 -0.97074316 7.31663361 60 C 6.0000 5.79284912 2.91731884 3.60018761 61 C 6.0000 5.08345212 -1.00980516 4.64571961 62 C 6.0000 6.04194812 -0.61499916 3.64588761 63 C 6.0000 6.26884712 -1.40767816 2.48863061 64 C 6.0000 6.68651012 -0.79052116 1.23490661 65 C 6.0000 6.64709712 -1.50353416 0.03626861 66 C 6.0000 6.44224712 0.76967484 3.60633661 67 C 6.0000 5.76260612 1.72736184 4.32900861 68 C 6.0000 4.67517312 1.39484284 5.15492061 69 C 6.0000 -2.94427288 -5.73237016 3.65000661 70 C 6.0000 -1.51064888 -5.83426816 3.68321061 71 C 6.0000 -0.83698788 -6.35193816 2.51826361 72 C 6.0000 -1.54452288 -6.56853616 1.29037361 73 C 6.0000 -0.83855988 -6.78830916 0.06712161 74 C 6.0000 -0.81571788 -5.07627316 4.66857761 75 C 6.0000 -1.50800888 -4.06131916 5.43063161 76 C 6.0000 -2.92329188 -3.84125716 5.19602861 77 C 6.0000 -3.61071588 -4.75387016 4.38242961 78 C 6.0000 -4.73559388 -4.38137216 3.66683761 79 C 6.0000 3.42163312 -2.70783416 5.40029761 80 C 6.0000 4.60742412 -2.35639316 4.63984561 81 C 6.0000 4.38754512 -0.00223716 5.40118261 82 C 6.0000 3.22502312 -0.34661216 6.14474361 83 C 6.0000 2.73915312 -1.71386116 6.14269861 84 C 6.0000 1.41961912 -2.00742516 6.63941761 85 C 6.0000 0.61751012 -5.11115416 4.66787561 86 C 6.0000 1.35797312 -4.13189116 5.41316061 87 C 6.0000 0.67915512 -3.13102116 6.15527161 88 C 6.0000 -0.78027088 -3.09734516 6.16319161 89 C 6.0000 2.77725412 -3.97269616 5.16233661 90 C 6.0000 3.42714112 -4.91497216 4.34608261 91 C 6.0000 1.28380012 -5.90754116 3.67474261 92 C 6.0000 0.59968812 -6.37630616 2.51931661 93 C 6.0000 1.31398212 -6.59684116 1.27100961 94 C 6.0000 0.62199612 -6.78560816 0.06931961 95 C 6.0000 2.72546612 -5.86368716 3.63317761 96 C 6.0000 5.10968212 -3.25332016 3.65287661 97 C 6.0000 5.80832112 -2.76830416 2.48396161 98 C 6.0000 5.79278812 -3.50652516 1.25770461 99 C 6.0000 6.21065012 -2.89890416 0.02868461 100 C 6.0000 4.56877312 -4.58335316 3.61611761 101 C 6.0000 -0.55915588 6.98587684 2.43252461 102 C 6.0000 0.84213512 6.94746984 2.41644161 103 C 6.0000 -1.31823488 6.84781484 1.20272661 104 C 6.0000 -0.63853188 6.93723184 -0.04783739 105 C 6.0000 1.53572312 6.75890184 1.19553961 106 C 6.0000 0.81840712 6.88692284 -0.06541639 107 C 6.0000 -6.82163788 1.63159884 2.46839761 108 C 6.0000 -6.35842688 2.95389384 2.46194261 109 C 6.0000 -6.92706088 0.87145084 1.23840161 110 C 6.0000 -6.81164388 1.55516684 -0.01693839 111 C 6.0000 -5.97036488 3.56690084 1.23888961 112 C 6.0000 -6.31760988 2.92215584 -0.02235539 113 C 6.0000 -3.64544488 -5.98012716 2.45298661 114 C 6.0000 -4.76142688 -5.13019716 2.45545761 115 C 6.0000 -2.96040088 -6.30344516 1.21890061 116 C 6.0000 -3.57546788 -5.97565616 -0.02963439 117 C 6.0000 -5.22712488 -4.56431016 1.23455661 118 C 6.0000 -4.72623988 -5.08649616 -0.02400339 119 C 6.0000 4.58566512 -5.32607416 2.41839461 120 C 6.0000 3.42613412 -6.12096616 2.41781461 121 C 6.0000 5.10417412 -4.77387416 1.18145561 122 C 6.0000 4.59948912 -5.25254216 -0.06344739 123 C 6.0000 2.74234212 -6.37981616 1.20086561 124 C 6.0000 3.38824712 -6.06646116 -0.06323439 125 C 6.0000 6.49423412 2.70990584 2.39655961 126 C 6.0000 6.89108512 1.36195984 2.38702261 127 C 6.0000 6.12217912 3.37944584 1.16233661 128 C 6.0000 6.40959412 2.75690284 -0.08427539 129 C 6.0000 6.91508712 0.63664884 1.16987461 130 C 6.0000 6.80526812 1.35124784 -0.09375139 131 C 6.0000 -3.47805588 6.06883884 -2.37365839 132 C 6.0000 -4.59876788 5.24867884 -2.35833939 133 C 6.0000 -5.08431788 4.70082684 -1.17416539 134 C 6.0000 -2.77253488 6.38901384 -1.18005539 135 C 6.0000 -2.84159688 5.92067584 -3.59262239 136 C 6.0000 -4.70496888 4.57422484 -3.58441339 137 C 6.0000 -3.58036588 4.94978984 -4.35899539 138 C 6.0000 -6.89874088 -1.41056216 -2.35324239 139 C 6.0000 -6.47324888 -2.74802516 -2.35312039 140 C 6.0000 -6.05592188 -3.37656516 -1.15025439 141 C 6.0000 -6.95838688 -0.64212916 -1.16124139 142 C 6.0000 -6.54803188 -0.85474516 -3.57560839 143 C 6.0000 -5.84841688 -3.06662916 -3.60342539 144 C 6.0000 -5.85407788 -1.86590116 -4.35563839 145 C 6.0000 -4.49340588 -4.82921716 -2.51750339 146 C 6.0000 -3.34199288 -5.69878516 -2.52224839 147 C 6.0000 -2.87992688 -6.24445516 -1.26278839 148 C 6.0000 -5.15430988 -4.50588416 -1.24514939 149 C 6.0000 -4.74731188 -4.02822316 -3.68872239 150 C 6.0000 -2.46328488 -5.71045816 -3.69011039 151 C 6.0000 -2.54148688 -4.68496116 -4.70692639 152 C 6.0000 -5.99392488 2.75899384 -2.51436039 153 C 6.0000 -6.47242488 1.40196784 -2.51205639 154 C 6.0000 -6.85882388 0.80071084 -1.24789539 155 C 6.0000 -5.89457488 3.49744284 -1.24316539 156 C 6.0000 -5.29433988 3.23824184 -3.67769039 157 C 6.0000 -6.20498488 0.55643284 -3.67677439 158 C 6.0000 -5.24398588 0.94231284 -4.69223139 159 C 6.0000 -0.78103388 -6.94307916 -2.37271239 160 C 6.0000 0.61122312 -6.93934016 -2.37089639 161 C 6.0000 1.33119412 -6.76861016 -1.19482539 162 C 6.0000 -1.52947788 -6.77651416 -1.17888039 163 C 6.0000 -1.21812188 -6.46587516 -3.58999739 164 C 6.0000 1.08790812 -6.47960816 -3.60350139 165 C 6.0000 -0.05010788 -6.12594016 -4.36943239 166 C 6.0000 3.20903212 -5.76062916 -2.55375839 167 C 6.0000 4.39894312 -4.94130916 -2.55827439 168 C 6.0000 5.06411912 -4.67446316 -1.30319339 169 C 6.0000 2.70198312 -6.28096916 -1.27565139 170 C 6.0000 2.35835512 -5.74946016 -3.71173239 171 C 6.0000 4.66974112 -4.10817916 -3.73043939 172 C 6.0000 3.66334712 -3.86614416 -4.74229539 173 C 6.0000 6.36154412 -2.88381316 -2.41218739 174 C 6.0000 6.77401912 -1.55320116 -2.40510739 175 C 6.0000 6.83507012 -0.81968116 -1.23072939 176 C 6.0000 5.98481912 -3.54981416 -1.21473839 177 C 6.0000 5.76854112 -3.15204816 -3.62831239 178 C 6.0000 6.47184912 -0.95673516 -3.63342439 179 C 6.0000 5.79091112 -1.93126816 -4.40144539 180 C 6.0000 6.43808212 1.28043184 -2.57811139 181 C 6.0000 6.03012312 2.66730384 -2.57490739 182 C 6.0000 5.99659912 3.38222384 -1.32211439 183 C 6.0000 6.78708112 0.63611484 -1.30313239 184 C 6.0000 6.16130312 0.47647684 -3.73283539 185 C 6.0000 5.31724712 3.18393584 -3.74260139 186 C 6.0000 4.77202012 2.30068084 -4.75129839 187 C 6.0000 4.70045712 5.18247084 -2.41829039 188 C 6.0000 3.56703412 5.99309384 -2.40106339 189 C 6.0000 2.89383112 6.27219184 -1.21975839 190 C 6.0000 5.22140712 4.61205084 -1.22255139 191 C 6.0000 4.75802812 4.53026384 -3.63627739 192 C 6.0000 2.89627312 5.88722784 -3.62964039 193 C 6.0000 3.60470812 4.93178384 -4.40371839 194 C 6.0000 0.76497112 6.53696284 -2.55500939 195 C 6.0000 -0.67820488 6.56496284 -2.54133739 196 C 6.0000 -1.36662088 6.74422284 -1.28228939 197 C 6.0000 1.49238812 6.66826484 -1.28163339 198 C 6.0000 1.43846312 6.02930284 -3.71826339 199 C 6.0000 -1.39404088 6.04274584 -3.70541539 200 C 6.0000 -0.72732288 5.25552984 -4.72137639 201 C 6.0000 1.46408312 4.21883184 -5.48239339 202 C 6.0000 0.73308012 5.25256984 -4.73631439 203 C 6.0000 2.90394812 3.99416184 -5.25151239 204 C 6.0000 3.55072212 2.69566984 -5.49115139 205 C 6.0000 4.45930712 -0.11692216 -5.49250939 206 C 6.0000 5.21322812 0.90469884 -4.75479339 207 C 6.0000 4.68957712 -1.55895416 -5.25183239 208 C 6.0000 3.66049412 -2.58074316 -5.48689339 209 C 6.0000 1.26968612 -4.31174616 -5.47549539 210 C 6.0000 2.47441312 -4.71819516 -4.73942739 211 C 6.0000 -0.03191888 -4.96682116 -5.22490039 212 C 6.0000 -1.31936388 -4.29665516 -5.45472839 213 C 6.0000 -3.70487788 -2.55603916 -5.44862539 214 C 6.0000 -3.72140288 -3.82245816 -4.70724639 215 C 6.0000 -4.73492188 -1.52544516 -5.20378239 216 C 6.0000 -4.49361988 -0.09859616 -5.43756239 217 C 6.0000 -3.57392688 2.69908784 -5.44674839 218 C 6.0000 -4.78266688 2.32581184 -4.69796939 219 C 6.0000 -2.91283988 3.99637484 -5.21234239 220 C 6.0000 -1.48212988 4.21321684 -5.45950439 221 C 6.0000 1.43612912 1.99461984 -6.61140639 222 C 6.0000 0.72326812 3.19682884 -6.18121439 223 C 6.0000 2.80531512 1.68576684 -6.19088939 224 C 6.0000 0.66612412 0.93112784 -7.14077939 225 C 6.0000 2.34314212 -0.78316616 -6.61522039 226 C 6.0000 3.26350612 0.27126184 -6.19362039 227 C 6.0000 2.47242912 -2.18280916 -6.18768439 228 C 6.0000 1.09472912 -0.37961716 -7.14358639 229 C 6.0000 -0.01640088 -2.50086416 -6.59831339 230 C 6.0000 1.27047912 -3.05452916 -6.18181039 231 C 6.0000 -1.30619588 -3.04804416 -6.16095139 232 C 6.0000 -0.01859888 -1.19135416 -7.13467539 233 C 6.0000 -2.37811088 -0.78490616 -6.58146839 234 C 6.0000 -2.50681888 -2.17460116 -6.15536639 235 C 6.0000 -3.29957388 0.27094084 -6.14816439 236 C 6.0000 -1.13453488 -0.38309616 -7.12559639 237 C 6.0000 -1.47863588 1.98695984 -6.58938739 238 C 6.0000 -2.83978088 1.67999884 -6.15348939 239 C 6.0000 -0.75996188 3.19420484 -6.16830639 240 C 6.0000 -0.71114888 0.92748084 -7.12880139 Atomic Mass ----------- C 12.000000 Effective nuclear repulsion energy (a.u.) 71731.3147537545 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 XYZ format geometry ------------------- 240 geometry C -2.30427388 4.60936584 4.67669561 C -2.18655188 5.62970584 3.68896361 C -3.05833188 5.65221284 2.52668661 C -2.62115288 6.24188884 1.29530161 C -3.33739988 6.00476684 0.07081461 C -4.49979988 4.05023784 3.70376461 C -4.22813188 4.83167084 2.54704161 C 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-3.73043939 C 3.66334712 -3.86614416 -4.74229539 C 6.36154412 -2.88381316 -2.41218739 C 6.77401912 -1.55320116 -2.40510739 C 6.83507012 -0.81968116 -1.23072939 C 5.98481912 -3.54981416 -1.21473839 C 5.76854112 -3.15204816 -3.62831239 C 6.47184912 -0.95673516 -3.63342439 C 5.79091112 -1.93126816 -4.40144539 C 6.43808212 1.28043184 -2.57811139 C 6.03012312 2.66730384 -2.57490739 C 5.99659912 3.38222384 -1.32211439 C 6.78708112 0.63611484 -1.30313239 C 6.16130312 0.47647684 -3.73283539 C 5.31724712 3.18393584 -3.74260139 C 4.77202012 2.30068084 -4.75129839 C 4.70045712 5.18247084 -2.41829039 C 3.56703412 5.99309384 -2.40106339 C 2.89383112 6.27219184 -1.21975839 C 5.22140712 4.61205084 -1.22255139 C 4.75802812 4.53026384 -3.63627739 C 2.89627312 5.88722784 -3.62964039 C 3.60470812 4.93178384 -4.40371839 C 0.76497112 6.53696284 -2.55500939 C -0.67820488 6.56496284 -2.54133739 C -1.36662088 6.74422284 -1.28228939 C 1.49238812 6.66826484 -1.28163339 C 1.43846312 6.02930284 -3.71826339 C -1.39404088 6.04274584 -3.70541539 C -0.72732288 5.25552984 -4.72137639 C 1.46408312 4.21883184 -5.48239339 C 0.73308012 5.25256984 -4.73631439 C 2.90394812 3.99416184 -5.25151239 C 3.55072212 2.69566984 -5.49115139 C 4.45930712 -0.11692216 -5.49250939 C 5.21322812 0.90469884 -4.75479339 C 4.68957712 -1.55895416 -5.25183239 C 3.66049412 -2.58074316 -5.48689339 C 1.26968612 -4.31174616 -5.47549539 C 2.47441312 -4.71819516 -4.73942739 C -0.03191888 -4.96682116 -5.22490039 C -1.31936388 -4.29665516 -5.45472839 C -3.70487788 -2.55603916 -5.44862539 C -3.72140288 -3.82245816 -4.70724639 C -4.73492188 -1.52544516 -5.20378239 C -4.49361988 -0.09859616 -5.43756239 C -3.57392688 2.69908784 -5.44674839 C -4.78266688 2.32581184 -4.69796939 C -2.91283988 3.99637484 -5.21234239 C -1.48212988 4.21321684 -5.45950439 C 1.43612912 1.99461984 -6.61140639 C 0.72326812 3.19682884 -6.18121439 C 2.80531512 1.68576684 -6.19088939 C 0.66612412 0.93112784 -7.14077939 C 2.34314212 -0.78316616 -6.61522039 C 3.26350612 0.27126184 -6.19362039 C 2.47242912 -2.18280916 -6.18768439 C 1.09472912 -0.37961716 -7.14358639 C -0.01640088 -2.50086416 -6.59831339 C 1.27047912 -3.05452916 -6.18181039 C -1.30619588 -3.04804416 -6.16095139 C -0.01859888 -1.19135416 -7.13467539 C -2.37811088 -0.78490616 -6.58146839 C -2.50681888 -2.17460116 -6.15536639 C -3.29957388 0.27094084 -6.14816439 C -1.13453488 -0.38309616 -7.12559639 C -1.47863588 1.98695984 -6.58938739 C -2.83978088 1.67999884 -6.15348939 C -0.75996188 3.19420484 -6.16830639 C -0.71114888 0.92748084 -7.12880139 ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 C | 1 C | 2.69282 | 1.42498 3 C | 2 C | 2.74589 | 1.45306 4 C | 3 C | 2.70907 | 1.43358 5 C | 4 C | 2.71793 | 1.43826 7 C | 3 C | 2.70048 | 1.42903 7 C | 6 C | 2.68743 | 1.42213 8 C | 7 C | 2.77071 | 1.46620 9 C | 5 C | 2.75238 | 1.45650 9 C | 8 C | 2.64837 | 1.40146 10 C | 1 C | 2.67862 | 1.41747 10 C | 6 C | 2.74566 | 1.45294 12 C | 11 C | 2.66305 | 1.40923 13 C | 2 C | 2.70294 | 1.43034 13 C | 12 C | 2.64053 | 1.39731 14 C | 1 C | 2.76648 | 1.46396 14 C | 11 C | 2.70024 | 1.42891 16 C | 14 C | 2.67599 | 1.41607 16 C | 15 C | 2.71137 | 1.43479 17 C | 10 C | 2.71416 | 1.43627 17 C | 15 C | 2.72427 | 1.44162 18 C | 6 C | 2.71248 | 1.43538 19 C | 17 C | 2.70616 | 1.43204 20 C | 18 C | 2.60232 | 1.37709 20 C | 19 C | 2.68834 | 1.42261 22 C | 21 C | 2.72758 | 1.44338 23 C | 22 C | 2.67773 | 1.41699 24 C | 23 C | 2.76230 | 1.46175 25 C | 24 C | 2.63460 | 1.39417 26 C | 12 C | 2.59878 | 1.37522 26 C | 22 C | 2.72479 | 1.44189 27 C | 11 C | 2.74797 | 1.45416 27 C | 21 C | 2.70235 | 1.43002 29 C | 28 C | 2.72552 | 1.44229 30 C | 29 C | 2.71386 | 1.43611 31 C | 30 C | 2.73620 | 1.44793 32 C | 31 C | 2.69966 | 1.42860 33 C | 20 C | 2.62542 | 1.38931 33 C | 29 C | 2.70381 | 1.43080 34 C | 19 C | 2.71164 | 1.43494 34 C | 28 C | 2.71724 | 1.43790 35 C | 34 C | 2.71764 | 1.43811 37 C | 36 C | 2.57342 | 1.36180 38 C | 15 C | 2.70398 | 1.43088 38 C | 35 C | 2.69435 | 1.42579 38 C | 37 C | 2.68775 | 1.42230 39 C | 16 C | 2.74500 | 1.45259 39 C | 36 C | 2.66073 | 1.40800 40 C | 27 C | 2.69413 | 1.42567 40 C | 39 C | 2.69164 | 1.42435 41 C | 21 C | 2.70862 | 1.43334 42 C | 41 C | 2.68430 | 1.42047 43 C | 23 C | 2.71531 | 1.43688 43 C | 42 C | 2.73831 | 1.44905 44 C | 43 C | 2.69866 | 1.42807 45 C | 25 C | 2.76235 | 1.46177 45 C | 44 C | 2.71646 | 1.43749 47 C | 37 C | 2.59777 | 1.37468 47 C | 46 C | 2.69499 | 1.42613 48 C | 35 C | 2.72964 | 1.44446 48 C | 46 C | 2.73125 | 1.44531 49 C | 48 C | 2.66565 | 1.41060 50 C | 28 C | 2.68778 | 1.42231 50 C | 49 C | 2.74914 | 1.45478 51 C | 50 C | 2.70226 | 1.42998 52 C | 30 C | 2.69918 | 1.42835 52 C | 51 C | 2.71528 | 1.43687 53 C | 52 C | 2.73951 | 1.44969 54 C | 32 C | 2.74737 | 1.45385 54 C | 53 C | 2.67097 | 1.41342 55 C | 41 C | 2.74607 | 1.45316 56 C | 40 C | 2.75429 | 1.45751 56 C | 55 C | 2.66314 | 1.40927 57 C | 56 C | 2.71524 | 1.43684 58 C | 36 C | 2.61157 | 1.38198 58 C | 57 C | 2.70109 | 1.42936 59 C | 47 C | 2.65835 | 1.40674 59 C | 58 C | 2.64839 | 1.40147 60 C | 42 C | 2.71490 | 1.43666 62 C | 61 C | 2.72163 | 1.44023 63 C | 62 C | 2.68518 | 1.42094 64 C | 63 C | 2.75612 | 1.45847 65 C | 64 C | 2.63661 | 1.39523 66 C | 62 C | 2.72483 | 1.44192 67 C | 60 C | 2.63757 | 1.39574 67 C | 66 C | 2.60572 | 1.37889 68 C | 55 C | 2.72844 | 1.44383 68 C | 67 C | 2.65586 | 1.40542 70 C | 69 C | 2.71672 | 1.43762 71 C | 70 C | 2.72468 | 1.44184 72 C | 71 C | 2.70913 | 1.43361 73 C | 72 C | 2.70107 | 1.42935 74 C | 70 C | 2.69141 | 1.42423 75 C | 74 C | 2.73203 | 1.44573 76 C | 49 C | 2.72244 | 1.44065 76 C | 75 C | 2.74270 | 1.45138 77 C | 69 C | 2.63076 | 1.39214 77 C | 76 C | 2.65058 | 1.40263 78 C | 51 C | 2.71725 | 1.43791 78 C | 77 C | 2.61587 | 1.38426 80 C | 61 C | 2.69903 | 1.42826 80 C | 79 C | 2.74362 | 1.45186 81 C | 61 C | 2.71898 | 1.43882 81 C | 68 C | 2.73535 | 1.44748 82 C | 57 C | 2.71006 | 1.43410 82 C | 81 C | 2.68776 | 1.42230 83 C | 79 C | 2.67576 | 1.41595 83 C | 82 C | 2.74202 | 1.45101 84 C | 59 C | 2.69474 | 1.42599 84 C | 83 C | 2.72152 | 1.44017 85 C | 74 C | 2.70921 | 1.43365 86 C | 85 C | 2.71404 | 1.43621 87 C | 84 C | 2.70247 | 1.43009 87 C | 86 C | 2.68132 | 1.41890 88 C | 46 C | 2.70481 | 1.43132 88 C | 75 C | 2.66946 | 1.41262 88 C | 87 C | 2.75869 | 1.45984 89 C | 79 C | 2.71998 | 1.43935 89 C | 86 C | 2.74018 | 1.45004 90 C | 89 C | 2.65673 | 1.40588 91 C | 85 C | 2.71522 | 1.43683 92 C | 71 C | 2.71532 | 1.43688 92 C | 91 C | 2.68764 | 1.42224 93 C | 92 C | 2.74961 | 1.45503 94 C | 73 C | 2.76006 | 1.46056 94 C | 93 C | 2.64463 | 1.39948 95 C | 90 C | 2.60525 | 1.37864 95 C | 91 C | 2.72675 | 1.44293 96 C | 80 C | 2.69301 | 1.42508 97 C | 63 C | 2.71451 | 1.43646 97 C | 96 C | 2.73175 | 1.44558 98 C | 97 C | 2.70496 | 1.43140 99 C | 65 C | 2.76288 | 1.46205 99 C | 98 C | 2.70851 | 1.43328 100 C | 90 C | 2.63625 | 1.39504 100 C | 96 C | 2.71419 | 1.43629 101 C | 13 C | 2.66137 | 1.40834 102 C | 26 C | 2.69710 | 1.42724 102 C | 101 C | 2.64922 | 1.40191 103 C | 4 C | 2.72102 | 1.43990 103 C | 101 C | 2.74347 | 1.45178 104 C | 103 C | 2.69503 | 1.42615 105 C | 24 C | 2.73082 | 1.44509 105 C | 102 C | 2.67730 | 1.41677 106 C | 104 C | 2.75506 | 1.45791 106 C | 105 C | 2.75209 | 1.45635 107 C | 33 C | 2.67427 | 1.41516 108 C | 18 C | 2.70723 | 1.43260 108 C | 107 C | 2.64769 | 1.40110 109 C | 31 C | 2.71494 | 1.43668 109 C | 107 C | 2.73967 | 1.44977 110 C | 109 C | 2.71007 | 1.43411 111 C | 8 C | 2.72184 | 1.44034 111 C | 108 C | 2.68729 | 1.42205 112 C | 110 C | 2.74678 | 1.45353 112 C | 111 C | 2.75603 | 1.45843 113 C | 69 C | 2.66303 | 1.40921 114 C | 78 C | 2.69168 | 1.42438 114 C | 113 C | 2.65088 | 1.40278 115 C | 72 C | 2.72546 | 1.44225 115 C | 113 C | 2.73638 | 1.44803 116 C | 115 C | 2.70211 | 1.42989 117 C | 53 C | 2.72219 | 1.44052 117 C | 114 C | 2.69092 | 1.42397 118 C | 116 C | 2.74818 | 1.45427 118 C | 117 C | 2.74338 | 1.45174 119 C | 100 C | 2.66341 | 1.40942 120 C | 95 C | 2.69525 | 1.42627 120 C | 119 C | 2.65664 | 1.40583 121 C | 98 C | 2.72945 | 1.44436 121 C | 119 C | 2.74095 | 1.45045 122 C | 121 C | 2.69484 | 1.42605 123 C | 93 C | 2.73340 | 1.44646 123 C | 120 C | 2.68284 | 1.41970 124 C | 122 C | 2.75769 | 1.45931 124 C | 123 C | 2.74715 | 1.45373 125 C | 60 C | 2.66155 | 1.40843 126 C | 66 C | 2.69840 | 1.42793 126 C | 125 C | 2.65541 | 1.40518 127 C | 44 C | 2.73000 | 1.44465 127 C | 125 C | 2.74500 | 1.45259 128 C | 127 C | 2.68860 | 1.42275 129 C | 64 C | 2.73410 | 1.44682 129 C | 126 C | 2.67788 | 1.41707 130 C | 128 C | 2.75959 | 1.46031 130 C | 129 C | 2.75113 | 1.45584 132 C | 131 C | 2.62454 | 1.38885 133 C | 9 C | 2.75346 | 1.45707 133 C | 132 C | 2.63084 | 1.39218 134 C | 5 C | 2.69337 | 1.42527 134 C | 131 C | 2.68910 | 1.42301 135 C | 131 C | 2.61364 | 1.38308 136 C | 132 C | 2.65197 | 1.40336 137 C | 135 C | 2.72260 | 1.44074 137 C | 136 C | 2.67632 | 1.41625 139 C | 138 C | 2.65226 | 1.40351 140 C | 54 C | 2.72871 | 1.44397 140 C | 139 C | 2.68322 | 1.41990 141 C | 32 C | 2.71552 | 1.43699 141 C | 138 C | 2.68242 | 1.41948 142 C | 138 C | 2.62264 | 1.38784 143 C | 139 C | 2.70910 | 1.43359 144 C | 142 C | 2.74658 | 1.45343 144 C | 143 C | 2.67755 | 1.41690 146 C | 145 C | 2.72666 | 1.44289 147 C | 116 C | 2.72324 | 1.44108 147 C | 146 C | 2.73684 | 1.44827 148 C | 118 C | 2.68018 | 1.41829 148 C | 140 C | 2.73669 | 1.44820 148 C | 145 C | 2.77746 | 1.46977 149 C | 143 C | 2.76725 | 1.46437 149 C | 145 C | 2.72397 | 1.44146 150 C | 146 C | 2.76195 | 1.46156 151 C | 150 C | 2.73304 | 1.44626 153 C | 152 C | 2.71916 | 1.43892 154 C | 110 C | 2.72978 | 1.44454 154 C | 141 C | 2.73796 | 1.44886 154 C | 153 C | 2.74428 | 1.45221 155 C | 112 C | 2.67267 | 1.41432 155 C | 133 C | 2.74460 | 1.45238 155 C | 152 C | 2.78445 | 1.47347 156 C | 136 C | 2.76502 | 1.46318 156 C | 152 C | 2.72044 | 1.43960 157 C | 142 C | 2.75105 | 1.45580 157 C | 153 C | 2.76638 | 1.46391 158 C | 157 C | 2.74080 | 1.45037 160 C | 159 C | 2.63100 | 1.39226 161 C | 94 C | 2.73933 | 1.44959 161 C | 160 C | 2.62573 | 1.38948 162 C | 73 C | 2.69246 | 1.42479 162 C | 147 C | 2.74748 | 1.45391 162 C | 159 C | 2.68125 | 1.41885 163 C | 150 C | 2.75868 | 1.45983 163 C | 159 C | 2.60519 | 1.37861 164 C | 160 C | 2.64420 | 1.39925 165 C | 163 C | 2.73020 | 1.44476 165 C | 164 C | 2.67702 | 1.41662 167 C | 166 C | 2.73011 | 1.44471 168 C | 122 C | 2.73000 | 1.44465 168 C | 167 C | 2.73122 | 1.44530 169 C | 124 C | 2.66373 | 1.40958 169 C | 161 C | 2.75368 | 1.45719 169 C | 166 C | 2.77822 | 1.47017 170 C | 164 C | 2.77659 | 1.46931 170 C | 166 C | 2.71535 | 1.43690 171 C | 167 C | 2.76534 | 1.46336 172 C | 171 C | 2.73538 | 1.44750 174 C | 173 C | 2.63257 | 1.39310 175 C | 65 C | 2.74386 | 1.45199 175 C | 174 C | 2.61912 | 1.38598 176 C | 99 C | 2.68633 | 1.42154 176 C | 168 C | 2.75171 | 1.45614 176 C | 173 C | 2.68538 | 1.42104 177 C | 171 C | 2.75924 | 1.46013 177 C | 173 C | 2.60656 | 1.37933 178 C | 174 C | 2.64281 | 1.39851 179 C | 177 C | 2.73099 | 1.44518 179 C | 178 C | 2.67464 | 1.41536 181 C | 180 C | 2.73185 | 1.44563 182 C | 128 C | 2.73445 | 1.44701 182 C | 181 C | 2.72653 | 1.44282 183 C | 130 C | 2.65528 | 1.40512 183 C | 175 C | 2.75595 | 1.45839 183 C | 180 C | 2.77894 | 1.47055 184 C | 178 C | 2.77759 | 1.46984 184 C | 180 C | 2.70986 | 1.43399 185 C | 181 C | 2.76353 | 1.46240 186 C | 185 C | 2.73513 | 1.44737 188 C | 187 C | 2.63348 | 1.39358 189 C | 25 C | 2.75102 | 1.45578 189 C | 188 C | 2.62296 | 1.38801 190 C | 45 C | 2.68327 | 1.41992 190 C | 182 C | 2.75363 | 1.45716 190 C | 187 C | 2.69016 | 1.42357 191 C | 185 C | 2.76225 | 1.46172 191 C | 187 C | 2.61314 | 1.38282 192 C | 188 C | 2.65271 | 1.40376 193 C | 191 C | 2.72562 | 1.44234 193 C | 192 C | 2.68178 | 1.41914 195 C | 194 C | 2.72784 | 1.44351 196 C | 104 C | 2.73275 | 1.44611 196 C | 134 C | 2.74708 | 1.45369 196 C | 195 C | 2.73276 | 1.44612 197 C | 106 C | 2.65992 | 1.40757 197 C | 189 C | 2.75456 | 1.45765 197 C | 194 C | 2.78237 | 1.47237 198 C | 192 C | 2.77298 | 1.46740 198 C | 194 C | 2.71521 | 1.43683 199 C | 135 C | 2.75346 | 1.45707 199 C | 195 C | 2.76457 | 1.46295 200 C | 199 C | 2.73612 | 1.44789 202 C | 198 C | 2.76269 | 1.46195 202 C | 200 C | 2.75991 | 1.46048 202 C | 201 C | 2.77707 | 1.46956 203 C | 193 C | 2.73126 | 1.44532 203 C | 201 C | 2.78822 | 1.47546 204 C | 186 C | 2.79971 | 1.48154 204 C | 203 C | 2.77849 | 1.47031 206 C | 184 C | 2.75577 | 1.45829 206 C | 186 C | 2.76665 | 1.46405 206 C | 205 C | 2.77496 | 1.46845 207 C | 179 C | 2.72194 | 1.44039 207 C | 205 C | 2.79680 | 1.48000 208 C | 172 C | 2.80718 | 1.48549 208 C | 207 C | 2.77624 | 1.46912 210 C | 170 C | 2.75999 | 1.46053 210 C | 172 C | 2.76415 | 1.46272 210 C | 209 C | 2.77627 | 1.46914 211 C | 165 C | 2.72259 | 1.44073 211 C | 209 C | 2.79405 | 1.47855 212 C | 151 C | 2.80519 | 1.48444 212 C | 211 C | 2.77697 | 1.46951 214 C | 149 C | 2.75940 | 1.46021 214 C | 151 C | 2.76192 | 1.46154 214 C | 213 C | 2.77329 | 1.46756 215 C | 144 C | 2.73049 | 1.44491 215 C | 213 C | 2.79211 | 1.47752 216 C | 158 C | 2.80423 | 1.48393 216 C | 215 C | 2.77009 | 1.46587 218 C | 156 C | 2.76140 | 1.46127 218 C | 158 C | 2.75597 | 1.45840 218 C | 217 C | 2.77800 | 1.47005 219 C | 137 C | 2.72723 | 1.44319 219 C | 217 C | 2.78690 | 1.47477 220 C | 200 C | 2.80354 | 1.48357 220 C | 219 C | 2.77413 | 1.46801 222 C | 201 C | 2.72648 | 1.44279 222 C | 221 C | 2.76349 | 1.46238 223 C | 204 C | 2.71567 | 1.43707 223 C | 221 C | 2.76888 | 1.46523 224 C | 221 C | 2.67525 | 1.41568 226 C | 205 C | 2.72028 | 1.43951 226 C | 223 C | 2.80977 | 1.48687 226 C | 225 C | 2.76226 | 1.46172 227 C | 208 C | 2.71290 | 1.43560 227 C | 225 C | 2.77636 | 1.46918 228 C | 224 C | 2.60602 | 1.37904 228 C | 225 C | 2.67285 | 1.41441 230 C | 209 C | 2.72506 | 1.44204 230 C | 227 C | 2.80585 | 1.48479 230 C | 229 C | 2.76190 | 1.46153 231 C | 212 C | 2.71092 | 1.43456 231 C | 229 C | 2.77363 | 1.46774 232 C | 228 C | 2.60378 | 1.37786 232 C | 229 C | 2.67415 | 1.41510 234 C | 213 C | 2.72561 | 1.44233 234 C | 231 C | 2.80574 | 1.48473 234 C | 233 C | 2.75756 | 1.45924 235 C | 216 C | 2.71704 | 1.43780 235 C | 233 C | 2.77195 | 1.46685 236 C | 232 C | 2.60390 | 1.37792 236 C | 233 C | 2.67515 | 1.41563 238 C | 217 C | 2.72343 | 1.44118 238 C | 235 C | 2.80093 | 1.48219 238 C | 237 C | 2.76246 | 1.46183 239 C | 220 C | 2.71379 | 1.43608 239 C | 222 C | 2.80301 | 1.48329 239 C | 237 C | 2.77168 | 1.46671 240 C | 224 C | 2.60278 | 1.37733 240 C | 236 C | 2.60267 | 1.37727 240 C | 237 C | 2.67415 | 1.41510 ------------------------------------------------------------------------------ number of included internuclear distances: 360 ============================================================================== ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 C | 1 C | 10 C | 119.07 2 C | 1 C | 14 C | 119.32 10 C | 1 C | 14 C | 119.96 1 C | 2 C | 3 C | 121.06 1 C | 2 C | 13 C | 118.16 3 C | 2 C | 13 C | 118.18 2 C | 3 C | 4 C | 120.70 2 C | 3 C | 7 C | 118.09 4 C | 3 C | 7 C | 119.87 3 C | 4 C | 5 C | 120.77 3 C | 4 C | 103 C | 120.28 5 C | 4 C | 103 C | 117.73 4 C | 5 C | 9 C | 119.22 4 C | 5 C | 134 C | 120.36 9 C | 5 C | 134 C | 119.40 7 C | 6 C | 10 C | 120.99 7 C | 6 C | 18 C | 118.29 10 C | 6 C | 18 C | 117.76 3 C | 7 C | 6 C | 118.91 3 C | 7 C | 8 C | 119.29 6 C | 7 C | 8 C | 120.44 7 C | 8 C | 9 C | 120.78 7 C | 8 C | 111 C | 120.16 9 C | 8 C | 111 C | 118.03 5 C | 9 C | 8 C | 120.05 5 C | 9 C | 133 C | 119.00 8 C | 9 C | 133 C | 120.12 1 C | 10 C | 6 C | 118.40 1 C | 10 C | 17 C | 120.86 6 C | 10 C | 17 C | 118.91 12 C | 11 C | 14 C | 118.63 12 C | 11 C | 27 C | 118.04 14 C | 11 C | 27 C | 120.85 11 C | 12 C | 13 C | 121.32 11 C | 12 C | 26 C | 121.90 13 C | 12 C | 26 C | 108.01 2 C | 13 C | 12 C | 121.20 2 C | 13 C | 101 C | 120.37 12 C | 13 C | 101 C | 109.12 1 C | 14 C | 11 C | 119.76 1 C | 14 C | 16 C | 119.02 11 C | 14 C | 16 C | 119.69 16 C | 15 C | 17 C | 120.02 16 C | 15 C | 38 C | 120.39 17 C | 15 C | 38 C | 118.07 14 C | 16 C | 15 C | 121.00 14 C | 16 C | 39 C | 118.25 15 C | 16 C | 39 C | 119.27 10 C | 17 C | 15 C | 119.14 10 C | 17 C | 19 C | 120.58 15 C | 17 C | 19 C | 118.61 6 C | 18 C | 20 C | 121.44 6 C | 18 C | 108 C | 120.48 20 C | 18 C | 108 C | 108.11 17 C | 19 C | 20 C | 118.24 17 C | 19 C | 34 C | 121.70 20 C | 19 C | 34 C | 117.52 18 C | 20 C | 19 C | 121.43 18 C | 20 C | 33 C | 108.31 19 C | 20 C | 33 C | 121.45 22 C | 21 C | 27 C | 119.85 22 C | 21 C | 41 C | 117.91 27 C | 21 C | 41 C | 120.42 21 C | 22 C | 23 C | 121.62 21 C | 22 C | 26 C | 117.37 23 C | 22 C | 26 C | 118.08 22 C | 23 C | 24 C | 120.88 22 C | 23 C | 43 C | 118.87 24 C | 23 C | 43 C | 118.97 23 C | 24 C | 25 C | 121.25 23 C | 24 C | 105 C | 119.74 25 C | 24 C | 105 C | 118.09 24 C | 25 C | 45 C | 120.02 24 C | 25 C | 189 C | 120.49 45 C | 25 C | 189 C | 118.75 12 C | 26 C | 22 C | 121.36 12 C | 26 C | 102 C | 108.36 22 C | 26 C | 102 C | 120.36 11 C | 27 C | 21 C | 119.78 11 C | 27 C | 40 C | 118.12 21 C | 27 C | 40 C | 120.45 29 C | 28 C | 34 C | 119.54 29 C | 28 C | 50 C | 117.72 34 C | 28 C | 50 C | 121.12 28 C | 29 C | 30 C | 121.12 28 C | 29 C | 33 C | 117.33 30 C | 29 C | 33 C | 118.99 29 C | 30 C | 31 C | 120.71 29 C | 30 C | 52 C | 119.02 31 C | 30 C | 52 C | 119.00 30 C | 31 C | 32 C | 120.51 30 C | 31 C | 109 C | 119.64 32 C | 31 C | 109 C | 118.70 31 C | 32 C | 54 C | 120.04 31 C | 32 C | 141 C | 120.00 54 C | 32 C | 141 C | 119.02 20 C | 33 C | 29 C | 121.67 20 C | 33 C | 107 C | 109.21 29 C | 33 C | 107 C | 119.88 19 C | 34 C | 28 C | 120.76 19 C | 34 C | 35 C | 118.18 28 C | 34 C | 35 C | 119.51 34 C | 35 C | 38 C | 118.71 34 C | 35 C | 48 C | 119.09 38 C | 35 C | 48 C | 120.69 37 C | 36 C | 39 C | 122.43 37 C | 36 C | 58 C | 108.74 39 C | 36 C | 58 C | 120.97 36 C | 37 C | 38 C | 121.92 36 C | 37 C | 47 C | 109.15 38 C | 37 C | 47 C | 121.02 15 C | 38 C | 35 C | 122.07 15 C | 38 C | 37 C | 117.26 35 C | 38 C | 37 C | 118.25 16 C | 39 C | 36 C | 117.32 16 C | 39 C | 40 C | 121.12 36 C | 39 C | 40 C | 119.19 27 C | 40 C | 39 C | 119.45 27 C | 40 C | 56 C | 119.22 39 C | 40 C | 56 C | 119.83 21 C | 41 C | 42 C | 118.83 21 C | 41 C | 55 C | 119.29 42 C | 41 C | 55 C | 120.20 41 C | 42 C | 43 C | 121.56 41 C | 42 C | 60 C | 117.97 43 C | 42 C | 60 C | 117.84 23 C | 43 C | 42 C | 117.65 23 C | 43 C | 44 C | 119.76 42 C | 43 C | 44 C | 121.27 43 C | 44 C | 45 C | 121.11 43 C | 44 C | 127 C | 120.18 45 C | 44 C | 127 C | 117.51 25 C | 45 C | 44 C | 118.87 25 C | 45 C | 190 C | 119.38 44 C | 45 C | 190 C | 120.75 47 C | 46 C | 48 C | 117.73 47 C | 46 C | 88 C | 118.87 48 C | 46 C | 88 C | 120.85 37 C | 47 C | 46 C | 122.14 37 C | 47 C | 59 C | 107.54 46 C | 47 C | 59 C | 120.76 35 C | 48 C | 46 C | 118.72 35 C | 48 C | 49 C | 121.33 46 C | 48 C | 49 C | 118.44 48 C | 49 C | 50 C | 119.65 48 C | 49 C | 76 C | 119.76 50 C | 49 C | 76 C | 118.96 28 C | 50 C | 49 C | 119.30 28 C | 50 C | 51 C | 119.61 49 C | 50 C | 51 C | 119.34 50 C | 51 C | 52 C | 121.02 50 C | 51 C | 78 C | 118.53 52 C | 51 C | 78 C | 117.56 30 C | 52 C | 51 C | 118.00 30 C | 52 C | 53 C | 120.39 51 C | 52 C | 53 C | 120.27 52 C | 53 C | 54 C | 120.59 52 C | 53 C | 117 C | 120.94 54 C | 53 C | 117 C | 117.50 32 C | 54 C | 53 C | 119.45 32 C | 54 C | 140 C | 120.30 53 C | 54 C | 140 C | 119.52 41 C | 55 C | 56 C | 120.14 41 C | 55 C | 68 C | 119.11 56 C | 55 C | 68 C | 119.19 40 C | 56 C | 55 C | 120.48 40 C | 56 C | 57 C | 118.85 55 C | 56 C | 57 C | 119.15 56 C | 57 C | 58 C | 117.99 56 C | 57 C | 82 C | 120.97 58 C | 57 C | 82 C | 118.48 36 C | 58 C | 57 C | 121.74 36 C | 58 C | 59 C | 107.59 57 C | 58 C | 59 C | 121.01 47 C | 59 C | 58 C | 106.97 47 C | 59 C | 84 C | 121.22 58 C | 59 C | 84 C | 121.35 42 C | 60 C | 67 C | 120.82 42 C | 60 C | 125 C | 120.40 67 C | 60 C | 125 C | 109.36 62 C | 61 C | 80 C | 118.52 62 C | 61 C | 81 C | 119.63 80 C | 61 C | 81 C | 120.08 61 C | 62 C | 63 C | 121.25 61 C | 62 C | 66 C | 117.84 63 C | 62 C | 66 C | 117.97 62 C | 63 C | 64 C | 120.65 62 C | 63 C | 97 C | 118.68 64 C | 63 C | 97 C | 119.33 63 C | 64 C | 65 C | 120.94 63 C | 64 C | 129 C | 120.09 65 C | 64 C | 129 C | 118.03 64 C | 65 C | 99 C | 120.04 64 C | 65 C | 175 C | 120.35 99 C | 65 C | 175 C | 118.92 62 C | 66 C | 67 C | 121.05 62 C | 66 C | 126 C | 120.60 67 C | 66 C | 126 C | 108.32 60 C | 67 C | 66 C | 107.93 60 C | 67 C | 68 C | 121.69 66 C | 67 C | 68 C | 121.67 55 C | 68 C | 67 C | 118.51 55 C | 68 C | 81 C | 120.18 67 C | 68 C | 81 C | 118.82 70 C | 69 C | 77 C | 121.00 70 C | 69 C | 113 C | 120.22 77 C | 69 C | 113 C | 109.41 69 C | 70 C | 71 C | 118.21 69 C | 70 C | 74 C | 117.70 71 C | 70 C | 74 C | 121.47 70 C | 71 C | 72 C | 121.04 70 C | 71 C | 92 C | 118.21 72 C | 71 C | 92 C | 119.44 71 C | 72 C | 73 C | 120.83 71 C | 72 C | 115 C | 119.95 73 C | 72 C | 115 C | 118.08 72 C | 73 C | 94 C | 119.49 72 C | 73 C | 162 C | 120.51 94 C | 73 C | 162 C | 119.09 70 C | 74 C | 75 C | 120.31 70 C | 74 C | 85 C | 118.33 75 C | 74 C | 85 C | 119.74 74 C | 75 C | 76 C | 119.22 74 C | 75 C | 88 C | 120.38 76 C | 75 C | 88 C | 118.86 49 C | 76 C | 75 C | 119.98 49 C | 76 C | 77 C | 119.31 75 C | 76 C | 77 C | 118.23 69 C | 77 C | 76 C | 121.86 69 C | 77 C | 78 C | 107.83 76 C | 77 C | 78 C | 121.54 51 C | 78 C | 77 C | 120.72 51 C | 78 C | 114 C | 121.01 77 C | 78 C | 114 C | 108.23 80 C | 79 C | 83 C | 119.89 80 C | 79 C | 89 C | 119.46 83 C | 79 C | 89 C | 119.19 61 C | 80 C | 79 C | 119.89 61 C | 80 C | 96 C | 118.61 79 C | 80 C | 96 C | 119.88 61 C | 81 C | 68 C | 119.37 61 C | 81 C | 82 C | 120.02 68 C | 81 C | 82 C | 119.02 57 C | 82 C | 81 C | 118.71 57 C | 82 C | 83 C | 119.74 81 C | 82 C | 83 C | 120.07 79 C | 83 C | 82 C | 120.05 79 C | 83 C | 84 C | 118.64 82 C | 83 C | 84 C | 119.89 59 C | 84 C | 83 C | 118.03 59 C | 84 C | 87 C | 118.37 83 C | 84 C | 87 C | 121.18 74 C | 85 C | 86 C | 119.91 74 C | 85 C | 91 C | 118.52 86 C | 85 C | 91 C | 119.84 85 C | 86 C | 87 C | 120.38 85 C | 86 C | 89 C | 119.32 87 C | 86 C | 89 C | 118.77 84 C | 87 C | 86 C | 118.92 84 C | 87 C | 88 C | 119.85 86 C | 87 C | 88 C | 119.83 46 C | 88 C | 75 C | 119.32 46 C | 88 C | 87 C | 119.47 75 C | 88 C | 87 C | 119.77 79 C | 89 C | 86 C | 120.40 79 C | 89 C | 90 C | 118.56 86 C | 89 C | 90 C | 118.64 89 C | 90 C | 95 C | 121.75 89 C | 90 C | 100 C | 121.52 95 C | 90 C | 100 C | 108.03 85 C | 91 C | 92 C | 121.41 85 C | 91 C | 95 C | 117.80 92 C | 91 C | 95 C | 117.85 71 C | 92 C | 91 C | 118.42 71 C | 92 C | 93 C | 119.52 91 C | 92 C | 93 C | 120.72 92 C | 93 C | 94 C | 120.96 92 C | 93 C | 123 C | 120.24 94 C | 93 C | 123 C | 117.83 73 C | 94 C | 93 C | 119.74 73 C | 94 C | 161 C | 119.21 93 C | 94 C | 161 C | 120.35 90 C | 95 C | 91 C | 120.97 90 C | 95 C | 120 C | 108.35 91 C | 95 C | 120 C | 120.66 80 C | 96 C | 97 C | 121.28 80 C | 96 C | 100 C | 117.89 97 C | 96 C | 100 C | 118.16 63 C | 97 C | 96 C | 118.04 63 C | 97 C | 98 C | 119.65 96 C | 97 C | 98 C | 120.96 97 C | 98 C | 99 C | 120.85 97 C | 98 C | 121 C | 120.19 99 C | 98 C | 121 C | 117.76 65 C | 99 C | 98 C | 119.16 65 C | 99 C | 176 C | 119.27 98 C | 99 C | 176 C | 120.64 90 C | 100 C | 96 C | 120.99 90 C | 100 C | 119 C | 109.22 96 C | 100 C | 119 C | 120.35 13 C | 101 C | 102 C | 106.86 13 C | 101 C | 103 C | 122.02 102 C | 101 C | 103 C | 120.68 26 C | 102 C | 101 C | 107.65 26 C | 102 C | 105 C | 121.95 101 C | 102 C | 105 C | 120.19 4 C | 103 C | 101 C | 117.30 4 C | 103 C | 104 C | 120.93 101 C | 103 C | 104 C | 119.19 103 C | 104 C | 106 C | 118.99 103 C | 104 C | 196 C | 120.01 106 C | 104 C | 196 C | 119.23 24 C | 105 C | 102 C | 117.73 24 C | 105 C | 106 C | 120.69 102 C | 105 C | 106 C | 119.56 104 C | 106 C | 105 C | 119.00 104 C | 106 C | 197 C | 119.62 105 C | 106 C | 197 C | 119.91 33 C | 107 C | 108 C | 106.69 33 C | 107 C | 109 C | 121.78 108 C | 107 C | 109 C | 121.00 18 C | 108 C | 107 C | 107.67 18 C | 108 C | 111 C | 121.81 107 C | 108 C | 111 C | 120.07 31 C | 109 C | 107 C | 117.92 31 C | 109 C | 110 C | 120.36 107 C | 109 C | 110 C | 119.13 109 C | 110 C | 112 C | 118.62 109 C | 110 C | 154 C | 119.62 112 C | 110 C | 154 C | 119.94 8 C | 111 C | 108 C | 117.57 8 C | 111 C | 112 C | 121.03 108 C | 111 C | 112 C | 119.22 110 C | 112 C | 111 C | 119.57 110 C | 112 C | 155 C | 119.17 111 C | 112 C | 155 C | 119.70 69 C | 113 C | 114 C | 106.73 69 C | 113 C | 115 C | 121.86 114 C | 113 C | 115 C | 120.87 78 C | 114 C | 113 C | 107.79 78 C | 114 C | 117 C | 121.75 113 C | 114 C | 117 C | 119.96 72 C | 115 C | 113 C | 117.60 72 C | 115 C | 116 C | 120.51 113 C | 115 C | 116 C | 119.31 115 C | 116 C | 118 C | 118.50 115 C | 116 C | 147 C | 119.79 118 C | 116 C | 147 C | 119.95 53 C | 117 C | 114 C | 117.18 53 C | 117 C | 118 C | 121.45 114 C | 117 C | 118 C | 119.18 116 C | 118 C | 117 C | 119.76 116 C | 118 C | 148 C | 119.06 117 C | 118 C | 148 C | 119.67 100 C | 119 C | 120 C | 106.76 100 C | 119 C | 121 C | 121.90 120 C | 119 C | 121 C | 120.65 95 C | 120 C | 119 C | 107.63 95 C | 120 C | 123 C | 121.78 119 C | 120 C | 123 C | 120.05 98 C | 121 C | 119 C | 117.35 98 C | 121 C | 122 C | 120.62 119 C | 121 C | 122 C | 119.35 121 C | 122 C | 124 C | 118.74 121 C | 122 C | 168 C | 120.07 124 C | 122 C | 168 C | 119.36 93 C | 123 C | 120 C | 117.48 93 C | 123 C | 124 C | 120.88 120 C | 123 C | 124 C | 119.48 122 C | 124 C | 123 C | 119.28 122 C | 124 C | 169 C | 119.26 123 C | 124 C | 169 C | 119.92 60 C | 125 C | 126 C | 106.72 60 C | 125 C | 127 C | 122.05 126 C | 125 C | 127 C | 120.58 66 C | 126 C | 125 C | 107.66 66 C | 126 C | 129 C | 121.77 125 C | 126 C | 129 C | 120.11 44 C | 127 C | 125 C | 117.17 44 C | 127 C | 128 C | 120.71 125 C | 127 C | 128 C | 119.41 127 C | 128 C | 130 C | 118.79 127 C | 128 C | 182 C | 120.18 130 C | 128 C | 182 C | 119.19 64 C | 129 C | 126 C | 117.62 64 C | 129 C | 130 C | 120.75 126 C | 129 C | 130 C | 119.54 128 C | 130 C | 129 C | 119.16 128 C | 130 C | 183 C | 119.47 129 C | 130 C | 183 C | 119.88 132 C | 131 C | 134 C | 121.58 132 C | 131 C | 135 C | 108.53 134 C | 131 C | 135 C | 122.36 131 C | 132 C | 133 C | 121.55 131 C | 132 C | 136 C | 109.59 133 C | 132 C | 136 C | 121.84 9 C | 133 C | 132 C | 118.77 9 C | 133 C | 155 C | 120.88 132 C | 133 C | 155 C | 118.70 5 C | 134 C | 131 C | 118.62 5 C | 134 C | 196 C | 120.72 131 C | 134 C | 196 C | 118.39 131 C | 135 C | 137 C | 107.76 131 C | 135 C | 199 C | 121.09 137 C | 135 C | 199 C | 121.65 132 C | 136 C | 137 C | 106.88 132 C | 136 C | 156 C | 121.67 137 C | 136 C | 156 C | 121.81 135 C | 137 C | 136 C | 107.15 135 C | 137 C | 219 C | 121.50 136 C | 137 C | 219 C | 121.03 139 C | 138 C | 141 C | 121.91 139 C | 138 C | 142 C | 107.76 141 C | 138 C | 142 C | 122.24 138 C | 139 C | 140 C | 120.73 138 C | 139 C | 143 C | 110.11 140 C | 139 C | 143 C | 120.82 54 C | 140 C | 139 C | 118.16 54 C | 140 C | 148 C | 122.03 139 C | 140 C | 148 C | 118.21 32 C | 141 C | 138 C | 118.59 32 C | 141 C | 154 C | 120.09 138 C | 141 C | 154 C | 119.08 138 C | 142 C | 144 C | 108.34 138 C | 142 C | 157 C | 120.60 144 C | 142 C | 157 C | 121.64 139 C | 143 C | 144 C | 105.84 139 C | 143 C | 149 C | 121.63 144 C | 143 C | 149 C | 121.91 142 C | 144 C | 143 C | 107.85 142 C | 144 C | 215 C | 121.39 143 C | 144 C | 215 C | 120.54 146 C | 145 C | 148 C | 119.62 146 C | 145 C | 149 C | 118.21 148 C | 145 C | 149 C | 120.13 145 C | 146 C | 147 C | 118.61 145 C | 146 C | 150 C | 119.16 147 C | 146 C | 150 C | 120.00 116 C | 147 C | 146 C | 121.32 116 C | 147 C | 162 C | 117.85 146 C | 147 C | 162 C | 118.97 118 C | 148 C | 140 C | 116.79 118 C | 148 C | 145 C | 121.30 140 C | 148 C | 145 C | 120.55 143 C | 149 C | 145 C | 116.74 143 C | 149 C | 214 C | 118.45 145 C | 149 C | 214 C | 121.42 146 C | 150 C | 151 C | 121.57 146 C | 150 C | 163 C | 117.53 151 C | 150 C | 163 C | 117.47 150 C | 151 C | 212 C | 119.68 150 C | 151 C | 214 C | 117.53 212 C | 151 C | 214 C | 120.67 153 C | 152 C | 155 C | 119.58 153 C | 152 C | 156 C | 118.48 155 C | 152 C | 156 C | 119.84 152 C | 153 C | 154 C | 118.71 152 C | 153 C | 157 C | 118.86 154 C | 153 C | 157 C | 120.14 110 C | 154 C | 141 C | 118.12 110 C | 154 C | 153 C | 121.12 141 C | 154 C | 153 C | 118.86 112 C | 155 C | 133 C | 117.57 112 C | 155 C | 152 C | 121.38 133 C | 155 C | 152 C | 119.59 136 C | 156 C | 152 C | 116.63 136 C | 156 C | 218 C | 118.27 152 C | 156 C | 218 C | 121.77 142 C | 157 C | 153 C | 117.49 142 C | 157 C | 158 C | 117.56 153 C | 157 C | 158 C | 121.63 157 C | 158 C | 216 C | 120.00 157 C | 158 C | 218 C | 117.69 216 C | 158 C | 218 C | 120.23 160 C | 159 C | 162 C | 121.74 160 C | 159 C | 163 C | 108.50 162 C | 159 C | 163 C | 122.35 159 C | 160 C | 161 C | 121.30 159 C | 160 C | 164 C | 109.90 161 C | 160 C | 164 C | 121.92 94 C | 161 C | 160 C | 118.89 94 C | 161 C | 169 C | 120.83 160 C | 161 C | 169 C | 118.79 73 C | 162 C | 147 C | 120.26 73 C | 162 C | 159 C | 118.62 147 C | 162 C | 159 C | 118.97 150 C | 163 C | 159 C | 120.67 150 C | 163 C | 165 C | 122.06 159 C | 163 C | 165 C | 107.55 160 C | 164 C | 165 C | 106.54 160 C | 164 C | 170 C | 121.52 165 C | 164 C | 170 C | 122.05 163 C | 165 C | 164 C | 107.40 163 C | 165 C | 211 C | 121.32 164 C | 165 C | 211 C | 120.78 167 C | 166 C | 169 C | 119.18 167 C | 166 C | 170 C | 118.73 169 C | 166 C | 170 C | 119.95 166 C | 167 C | 168 C | 118.75 166 C | 167 C | 171 C | 118.54 168 C | 167 C | 171 C | 120.35 122 C | 168 C | 167 C | 121.55 122 C | 168 C | 176 C | 117.41 167 C | 168 C | 176 C | 119.10 124 C | 169 C | 161 C | 117.47 124 C | 169 C | 166 C | 121.73 161 C | 169 C | 166 C | 119.41 164 C | 170 C | 166 C | 116.66 164 C | 170 C | 210 C | 118.13 166 C | 170 C | 210 C | 121.70 167 C | 171 C | 172 C | 121.77 167 C | 171 C | 177 C | 117.13 172 C | 171 C | 177 C | 117.56 171 C | 172 C | 208 C | 119.76 171 C | 172 C | 210 C | 117.80 208 C | 172 C | 210 C | 120.23 174 C | 173 C | 176 C | 121.46 174 C | 173 C | 177 C | 108.51 176 C | 173 C | 177 C | 122.54 173 C | 174 C | 175 C | 121.52 173 C | 174 C | 178 C | 109.81 175 C | 174 C | 178 C | 121.87 65 C | 175 C | 174 C | 118.97 65 C | 175 C | 183 C | 120.61 174 C | 175 C | 183 C | 119.00 99 C | 176 C | 168 C | 120.48 99 C | 176 C | 173 C | 118.71 168 C | 176 C | 173 C | 118.58 171 C | 177 C | 173 C | 120.83 171 C | 177 C | 179 C | 121.83 173 C | 177 C | 179 C | 107.50 174 C | 178 C | 179 C | 106.67 174 C | 178 C | 184 C | 121.39 179 C | 178 C | 184 C | 122.21 177 C | 179 C | 178 C | 107.38 177 C | 179 C | 207 C | 121.49 178 C | 179 C | 207 C | 120.68 181 C | 180 C | 183 C | 119.04 181 C | 180 C | 184 C | 119.02 183 C | 180 C | 184 C | 119.89 180 C | 181 C | 182 C | 118.94 180 C | 181 C | 185 C | 118.34 182 C | 181 C | 185 C | 120.46 128 C | 182 C | 181 C | 121.47 128 C | 182 C | 190 C | 117.27 181 C | 182 C | 190 C | 119.33 130 C | 183 C | 175 C | 117.70 130 C | 183 C | 180 C | 121.76 175 C | 183 C | 180 C | 119.22 178 C | 184 C | 180 C | 116.84 178 C | 184 C | 206 C | 118.10 180 C | 184 C | 206 C | 121.68 181 C | 185 C | 186 C | 121.64 181 C | 185 C | 191 C | 116.99 186 C | 185 C | 191 C | 117.95 185 C | 186 C | 204 C | 119.73 185 C | 186 C | 206 C | 118.04 204 C | 186 C | 206 C | 120.10 188 C | 187 C | 190 C | 121.35 188 C | 187 C | 191 C | 108.61 190 C | 187 C | 191 C | 122.39 187 C | 188 C | 189 C | 121.46 187 C | 188 C | 192 C | 109.51 189 C | 188 C | 192 C | 121.89 25 C | 189 C | 188 C | 119.07 25 C | 189 C | 197 C | 120.36 188 C | 189 C | 197 C | 119.00 45 C | 190 C | 182 C | 120.43 45 C | 190 C | 187 C | 118.86 182 C | 190 C | 187 C | 118.39 185 C | 191 C | 187 C | 120.96 185 C | 191 C | 193 C | 121.58 187 C | 191 C | 193 C | 107.70 188 C | 192 C | 193 C | 106.84 188 C | 192 C | 198 C | 121.35 193 C | 192 C | 198 C | 121.88 191 C | 193 C | 192 C | 107.24 191 C | 193 C | 203 C | 121.28 192 C | 193 C | 203 C | 120.98 195 C | 194 C | 197 C | 118.95 195 C | 194 C | 198 C | 118.89 197 C | 194 C | 198 C | 120.01 194 C | 195 C | 196 C | 119.12 194 C | 195 C | 199 C | 118.34 196 C | 195 C | 199 C | 120.27 104 C | 196 C | 134 C | 117.36 104 C | 196 C | 195 C | 121.34 134 C | 196 C | 195 C | 119.43 106 C | 197 C | 189 C | 117.77 106 C | 197 C | 194 C | 121.64 189 C | 197 C | 194 C | 119.17 192 C | 198 C | 194 C | 116.81 192 C | 198 C | 202 C | 118.03 194 C | 198 C | 202 C | 121.69 135 C | 199 C | 195 C | 117.03 135 C | 199 C | 200 C | 117.79 195 C | 199 C | 200 C | 121.81 199 C | 200 C | 202 C | 117.95 199 C | 200 C | 220 C | 119.79 202 C | 200 C | 220 C | 120.15 202 C | 201 C | 203 C | 120.87 202 C | 201 C | 222 C | 119.26 203 C | 201 C | 222 C | 117.97 198 C | 202 C | 200 C | 118.31 198 C | 202 C | 201 C | 119.16 200 C | 202 C | 201 C | 120.27 193 C | 203 C | 201 C | 117.78 193 C | 203 C | 204 C | 117.08 201 C | 203 C | 204 C | 122.56 186 C | 204 C | 203 C | 121.11 186 C | 204 C | 223 C | 118.91 203 C | 204 C | 223 C | 118.15 206 C | 205 C | 207 C | 121.08 206 C | 205 C | 226 C | 118.92 207 C | 205 C | 226 C | 118.11 184 C | 206 C | 186 C | 118.31 184 C | 206 C | 205 C | 118.79 186 C | 206 C | 205 C | 120.65 179 C | 207 C | 205 C | 117.83 179 C | 207 C | 208 C | 116.76 205 C | 207 C | 208 C | 122.87 172 C | 208 C | 207 C | 121.35 172 C | 208 C | 227 C | 119.09 207 C | 208 C | 227 C | 117.71 210 C | 209 C | 211 C | 120.96 210 C | 209 C | 230 C | 119.09 211 C | 209 C | 230 C | 118.02 170 C | 210 C | 172 C | 118.51 170 C | 210 C | 209 C | 118.86 172 C | 210 C | 209 C | 120.29 165 C | 211 C | 209 C | 117.92 165 C | 211 C | 212 C | 116.66 209 C | 211 C | 212 C | 122.87 151 C | 212 C | 211 C | 121.55 151 C | 212 C | 231 C | 118.90 211 C | 212 C | 231 C | 117.77 214 C | 213 C | 215 C | 120.69 214 C | 213 C | 234 C | 119.02 215 C | 213 C | 234 C | 118.41 149 C | 214 C | 151 C | 118.94 149 C | 214 C | 213 C | 118.81 151 C | 214 C | 213 C | 120.02 144 C | 215 C | 213 C | 118.22 144 C | 215 C | 216 C | 116.77 213 C | 215 C | 216 C | 122.53 158 C | 216 C | 215 C | 121.29 158 C | 216 C | 235 C | 119.20 215 C | 216 C | 235 C | 117.76 218 C | 217 C | 219 C | 120.73 218 C | 217 C | 238 C | 119.28 219 C | 217 C | 238 C | 118.14 156 C | 218 C | 158 C | 118.61 156 C | 218 C | 217 C | 119.01 158 C | 218 C | 217 C | 120.20 137 C | 219 C | 217 C | 117.89 137 C | 219 C | 220 C | 116.92 217 C | 219 C | 220 C | 122.69 200 C | 220 C | 219 C | 121.06 200 C | 220 C | 239 C | 119.23 219 C | 220 C | 239 C | 117.93 222 C | 221 C | 223 C | 122.98 222 C | 221 C | 224 C | 117.54 223 C | 221 C | 224 C | 117.21 201 C | 222 C | 221 C | 118.33 201 C | 222 C | 239 C | 120.70 221 C | 222 C | 239 C | 119.25 204 C | 223 C | 221 C | 118.44 204 C | 223 C | 226 C | 120.64 221 C | 223 C | 226 C | 119.21 221 C | 224 C | 228 C | 123.07 221 C | 224 C | 240 C | 122.86 228 C | 224 C | 240 C | 107.96 226 C | 225 C | 227 C | 123.22 226 C | 225 C | 228 C | 117.24 227 C | 225 C | 228 C | 117.27 205 C | 226 C | 223 C | 120.77 205 C | 226 C | 225 C | 117.97 223 C | 226 C | 225 C | 119.52 208 C | 227 C | 225 C | 118.62 208 C | 227 C | 230 C | 120.35 225 C | 227 C | 230 C | 119.29 224 C | 228 C | 225 C | 123.01 224 C | 228 C | 232 C | 107.99 225 C | 228 C | 232 C | 122.87 230 C | 229 C | 231 C | 123.20 230 C | 229 C | 232 C | 117.38 231 C | 229 C | 232 C | 117.17 209 C | 230 C | 227 C | 120.95 209 C | 230 C | 229 C | 117.99 227 C | 230 C | 229 C | 119.29 212 C | 231 C | 229 C | 118.64 212 C | 231 C | 234 C | 120.18 229 C | 231 C | 234 C | 119.50 228 C | 232 C | 229 C | 123.12 228 C | 232 C | 236 C | 107.99 229 C | 232 C | 236 C | 122.79 234 C | 233 C | 235 C | 122.95 234 C | 233 C | 236 C | 117.39 235 C | 233 C | 236 C | 117.46 213 C | 234 C | 231 C | 121.20 213 C | 234 C | 233 C | 117.92 231 C | 234 C | 233 C | 119.20 216 C | 235 C | 233 C | 118.86 216 C | 235 C | 238 C | 120.25 233 C | 235 C | 238 C | 119.23 232 C | 236 C | 233 C | 123.19 232 C | 236 C | 240 C | 108.01 233 C | 236 C | 240 C | 122.75 238 C | 237 C | 239 C | 122.92 238 C | 237 C | 240 C | 117.48 239 C | 237 C | 240 C | 117.38 217 C | 238 C | 235 C | 120.83 217 C | 238 C | 237 C | 118.17 235 C | 238 C | 237 C | 119.31 220 C | 239 C | 222 C | 120.39 220 C | 239 C | 237 C | 118.64 222 C | 239 C | 237 C | 119.27 224 C | 240 C | 236 C | 108.06 224 C | 240 C | 237 C | 122.93 236 C | 240 C | 237 C | 123.01 ------------------------------------------------------------------------------ number of included internuclear angles: 720 ============================================================================== library name resolved from: environment library file name is: </scratch/system/bwjenkins/sw_workdir/retest/2021-09-22T15:51:19.659768/nwchem_6.6_cle5.2_gnu5.1.0/data/libraries/> Basis "ao basis" -> "" (cartesian) ----- C (Carbon) ---------- Exponent Coefficients -------------- --------------------------------------------------------- 1 S 3.04752490E+03 0.001835 1 S 4.57369510E+02 0.014037 1 S 1.03948690E+02 0.068843 1 S 2.92101550E+01 0.232184 1 S 9.28666300E+00 0.467941 1 S 3.16392700E+00 0.362312 2 S 7.86827240E+00 -0.119332 2 S 1.88128850E+00 -0.160854 2 S 5.44249300E-01 1.143456 3 P 7.86827240E+00 0.068999 3 P 1.88128850E+00 0.316424 3 P 5.44249300E-01 0.744308 4 S 1.68714400E-01 1.000000 5 P 1.68714400E-01 1.000000 6 D 8.00000000E-01 1.000000 Summary of "ao basis" -> "" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- C user specified 6 15 3s2p1d NWChem DFT Module ----------------- Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- C user specified 6 15 3s2p1d Caching 1-el integrals General Information ------------------- SCF calculation type: DFT Wavefunction type: closed shell. No. of atoms : 240 No. of electrons : 1440 Alpha electrons : 720 Beta electrons : 720 Charge : 0 Spin multiplicity: 1 Use of symmetry is: off; symmetry adaption is: off Maximum number of iterations: 4 This is a Direct SCF calculation. AO basis - number of functions: 3600 number of shells: 1440 Convergence on energy requested: 1.00D-06 Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 XC Information -------------- PBE0 Method XC Functional Hartree-Fock (Exact) Exchange 0.250 PerdewBurkeErnzerhof Exchange Functional 0.750 Perdew 1991 LDA Correlation Functional 1.000 local PerdewBurkeErnz. Correlation Functional 1.000 non-local Grid Information ---------------- Grid used for XC integration: medium Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- C 0.70 49 15.0 434 Grid pruning is: on Number of quadrature shells: 11760 Spatial weights used: Erf1 Convergence Information ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 4 iters 4 iters Screening Tolerance Information ------------------------------- Density screening/tol_rho: 1.00D-10 AO Gaussian exp screening on grid/accAOfunc: 14 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 <<<<<< Before call to DFT_SCF. >>>>>> <<<<<< date: Sep 22 time: 15:52:20 >>>>>> <<<<<< Before 3c-2e initialize. >>>>>> <<<<<< date: Sep 22 time: 15:52:20 >>>>>> Superposition of Atomic Density Guess ------------------------------------- Sum of atomic energies: -9038.46099563 Non-variational initial energy ------------------------------ Total energy = -9227.773601 1-e energy = -155477.628661 2-e energy = 74518.540307 HOMO = -0.162628 LUMO = -0.107661 Time after variat. SCF: 120.5 Time prior to 1st pass: 120.5 <<<<<< Before SCF iter loop. >>>>>> <<<<<< date: Sep 22 time: 15:54:14 >>>>>> <<<<<< calling 1-e int >>>>>> <<<<<< date: Sep 22 time: 15:54:14 >>>>>> Kinetic Matrix Time: 0.0s Potential Matrix Time: 0.0s <<<<<< Before call to GETVCOUL. >>>>>> <<<<<< date: Sep 22 time: 15:54:14 >>>>>> <<<<<< Before call to GETVXC. >>>>>> <<<<<< date: Sep 22 time: 15:54:14 >>>>>> <<<<<< Before call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 15:54:14 >>>>>> <<<<<< After call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 15:56:13 >>>>>> Fock_2e Build Time: 118.2s Grid_pts file = ./c240.gridpts.000 Record size in doubles = 12289 No. of grid_pts per rec = 3070 Max. records in memory = 9 Max. recs in file = 4085681 Fock_xc Build Time: 7.9s <<<<<< End of parallel region. >>>>>> <<<<<< date: Sep 22 time: 15:56:21 >>>>>> Total Fock Matrix Build Time: 126.2s <<<<<< calling diis driver >>>>>> <<<<<< date: Sep 22 time: 15:56:21 >>>>>> <<<<<< called diis driver >>>>>> <<<<<< date: Sep 22 time: 15:56:26 >>>>>> <<<<<< calling diag >>>>>> <<<<<< date: Sep 22 time: 15:56:29 >>>>>> <<<<<< called diag >>>>>> <<<<<< date: Sep 22 time: 15:56:32 >>>>>> Diagonalization Time: 2.4s <<<<<< calling densm >>>>>> <<<<<< date: Sep 22 time: 15:56:33 >>>>>> <<<<<< called densm >>>>>> <<<<<< date: Sep 22 time: 15:56:34 >>>>>> Memory utilization after 1st SCF pass: Heap Space remaining (MW): 0.00 781 Stack Space remaining (MW): 78.57 78566276 convergence iter energy DeltaE RMS-Dens Diis-err time ---------------- ----- ----------------- --------- --------- --------- ------ d= 0,ls=0.0,diis 1 -9134.7858758382 -8.09D+04 4.52D-02 1.96D+01 259.9 <<<<<< calling scfcvg >>>>>> <<<<<< date: Sep 22 time: 15:56:35 >>>>>> <<<<<< called scfcvg >>>>>> <<<<<< date: Sep 22 time: 15:56:35 >>>>>> <<<<<< calling 1-e int >>>>>> <<<<<< date: Sep 22 time: 15:56:35 >>>>>> Kinetic Matrix Time: 0.0s Potential Matrix Time: 0.0s <<<<<< Before call to GETVCOUL. >>>>>> <<<<<< date: Sep 22 time: 15:56:35 >>>>>> <<<<<< Before call to GETVXC. >>>>>> <<<<<< date: Sep 22 time: 15:56:35 >>>>>> <<<<<< Before call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 15:56:35 >>>>>> <<<<<< After call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 16:00:02 >>>>>> Fock_2e Build Time: 206.5s Fock_xc Build Time: 5.8s <<<<<< End of parallel region. >>>>>> <<<<<< date: Sep 22 time: 16:00:08 >>>>>> Total Fock Matrix Build Time: 212.4s <<<<<< calling diis driver >>>>>> <<<<<< date: Sep 22 time: 16:00:08 >>>>>> <<<<<< called diis driver >>>>>> <<<<<< date: Sep 22 time: 16:00:14 >>>>>> <<<<<< calling diag >>>>>> <<<<<< date: Sep 22 time: 16:00:17 >>>>>> <<<<<< called diag >>>>>> <<<<<< date: Sep 22 time: 16:00:19 >>>>>> Diagonalization Time: 2.4s <<<<<< calling densm >>>>>> <<<<<< date: Sep 22 time: 16:00:20 >>>>>> <<<<<< called densm >>>>>> <<<<<< date: Sep 22 time: 16:00:21 >>>>>> d= 0,ls=0.0,diis 2 -9136.2205812910 -1.43D+00 4.51D-02 4.86D+00 485.0 <<<<<< calling scfcvg >>>>>> <<<<<< date: Sep 22 time: 16:00:22 >>>>>> <<<<<< called scfcvg >>>>>> <<<<<< date: Sep 22 time: 16:00:22 >>>>>> <<<<<< calling 1-e int >>>>>> <<<<<< date: Sep 22 time: 16:00:22 >>>>>> Kinetic Matrix Time: 0.0s Potential Matrix Time: 0.0s <<<<<< Before call to GETVCOUL. >>>>>> <<<<<< date: Sep 22 time: 16:00:22 >>>>>> <<<<<< Before call to GETVXC. >>>>>> <<<<<< date: Sep 22 time: 16:00:22 >>>>>> <<<<<< Before call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 16:00:22 >>>>>> <<<<<< After call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 16:03:47 >>>>>> Fock_2e Build Time: 205.1s Fock_xc Build Time: 5.4s <<<<<< End of parallel region. >>>>>> <<<<<< date: Sep 22 time: 16:03:53 >>>>>> Total Fock Matrix Build Time: 210.7s <<<<<< calling diis driver >>>>>> <<<<<< date: Sep 22 time: 16:03:53 >>>>>> <<<<<< called diis driver >>>>>> <<<<<< date: Sep 22 time: 16:03:58 >>>>>> <<<<<< calling diag >>>>>> <<<<<< date: Sep 22 time: 16:04:01 >>>>>> <<<<<< called diag >>>>>> <<<<<< date: Sep 22 time: 16:04:04 >>>>>> Diagonalization Time: 2.5s <<<<<< calling densm >>>>>> <<<<<< date: Sep 22 time: 16:04:05 >>>>>> <<<<<< called densm >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> d= 0,ls=0.0,diis 3 -9135.5707688494 6.50D-01 1.09D-03 9.37D+00 708.2 <<<<<< calling scfcvg >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> <<<<<< called scfcvg >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> <<<<<< calling 1-e int >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> Kinetic Matrix Time: 0.0s Potential Matrix Time: 0.0s <<<<<< Before call to GETVCOUL. >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> <<<<<< Before call to GETVXC. >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> <<<<<< Before call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 16:04:06 >>>>>> <<<<<< After call to fock_2e. >>>>>> <<<<<< date: Sep 22 time: 16:07:31 >>>>>> Fock_2e Build Time: 204.6s Fock_xc Build Time: 5.4s <<<<<< End of parallel region. >>>>>> <<<<<< date: Sep 22 time: 16:07:37 >>>>>> Total Fock Matrix Build Time: 210.2s <<<<<< calling diis driver >>>>>> <<<<<< date: Sep 22 time: 16:07:37 >>>>>> <<<<<< called diis driver >>>>>> <<<<<< date: Sep 22 time: 16:07:42 >>>>>> <<<<<< calling diag >>>>>> <<<<<< date: Sep 22 time: 16:07:45 >>>>>> <<<<<< called diag >>>>>> <<<<<< date: Sep 22 time: 16:07:48 >>>>>> Diagonalization Time: 2.5s <<<<<< calling densm >>>>>> <<<<<< date: Sep 22 time: 16:07:49 >>>>>> <<<<<< called densm >>>>>> <<<<<< date: Sep 22 time: 16:07:50 >>>>>> d= 0,ls=0.0,diis 4 -9136.8444222231 -1.27D+00 2.67D-04 1.45D-01 930.8 <<<<<< calling scfcvg >>>>>> <<<<<< date: Sep 22 time: 16:07:50 >>>>>> <<<<<< called scfcvg >>>>>> <<<<<< date: Sep 22 time: 16:07:50 >>>>>> Calculation failed to converge ------------------------------ Total DFT energy = -9136.844422223119 One electron energy = -155556.524006683583 Coulomb energy = 75980.786536027008 Exchange-Corr. energy = -1292.421705321080 Nuclear repulsion energy = 71731.314753754530 Numeric. integr. density = 1440.000992384418 Total iterative time = 810.4s DFT Final Molecular Orbital Analysis ------------------------------------ Vector 240 Occ=2.000000D+00 E=-1.025831D+01 MO Center= -6.9D+00, -1.4D+00, -2.4D+00, r^2= 3.5D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2056 0.991524 138 C s Vector 241 Occ=2.000000D+00 E=-9.990901D-01 MO Center= -1.3D-01, 2.0D-01, 5.3D+00, r^2= 2.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 527 0.109951 36 C s 542 0.110126 37 C s 692 0.102531 47 C s 857 0.101612 58 C s Vector 242 Occ=2.000000D+00 E=-9.964523D-01 MO Center= -3.3D-02, 3.4D-03, -6.7D+00, r^2= 5.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3587 0.162242 240 C s 3347 0.160839 224 C s 3527 0.161518 236 C s 3407 0.160481 228 C s 3467 0.160937 232 C s Vector 243 Occ=2.000000D+00 E=-9.924819D-01 MO Center= 3.1D-01, -3.8D-01, 2.9D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1337 -0.087655 90 C s 1412 -0.085039 95 C s 1487 -0.081233 100 C s 167 0.080377 12 C s 1787 -0.080476 120 C s Vector 244 Occ=2.000000D+00 E=-9.912736D-01 MO Center= 5.4D-01, 1.7D-01, 3.0D+00, r^2= 4.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 992 0.085315 67 C s 887 0.080967 60 C s 977 0.081227 66 C s 1877 0.077570 126 C s Vector 245 Occ=2.000000D+00 E=-9.899217D-01 MO Center= -7.4D-01, 2.3D-01, 3.8D+00, r^2= 3.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 527 0.104994 36 C s 542 0.104043 37 C s 857 0.098703 58 C s 692 0.097145 47 C s Vector 246 Occ=2.000000D+00 E=-9.852732D-01 MO Center= -2.5D+00, 3.2D-01, 2.8D+00, r^2= 3.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 287 0.098444 20 C s 257 0.094468 18 C s 1607 0.093026 108 C s 482 0.091627 33 C s 1592 0.090205 107 C s Vector 247 Occ=2.000000D+00 E=-9.850215D-01 MO Center= 2.6D+00, -3.5D-01, 2.8D+00, r^2= 3.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 992 0.102394 67 C s 887 0.098617 60 C s 1877 0.097207 126 C s 977 0.096661 66 C s 1862 0.097008 125 C s Vector 248 Occ=2.000000D+00 E=-9.790498D-01 MO Center= -2.9D+00, 4.3D+00, -1.7D+00, r^2= 2.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1952 0.136917 131 C s 1967 0.136736 132 C s Vector 249 Occ=2.000000D+00 E=-9.777855D-01 MO Center= 2.4D+00, -3.7D+00, -1.6D+00, r^2= 3.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2387 0.104027 160 C s 2372 0.100953 159 C s Vector 250 Occ=2.000000D+00 E=-9.758967D-01 MO Center= 2.4D+00, -1.6D+00, -1.8D+00, r^2= 4.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2372 0.092931 159 C s 2387 0.090062 160 C s 2597 -0.088750 174 C s 2582 -0.084112 173 C s Vector 251 Occ=2.000000D+00 E=-9.730829D-01 MO Center= 3.1D+00, 2.5D+00, -1.8D+00, r^2= 3.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2807 0.123593 188 C s 2792 0.120977 187 C s Vector 252 Occ=2.000000D+00 E=-9.685968D-01 MO Center= -4.9D+00, -1.4D+00, -1.5D+00, r^2= 2.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2057 0.131251 138 C s 2072 0.124145 139 C s Vector 253 Occ=2.000000D+00 E=-9.584357D-01 MO Center= 1.4D-01, -9.5D-02, 3.4D+00, r^2= 3.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1292 0.092248 87 C s 227 -0.089365 16 C s 1247 0.086193 84 C s Vector 254 Occ=2.000000D+00 E=-9.576584D-01 MO Center= -5.9D-01, -1.6D-01, 3.2D+00, r^2= 3.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 707 0.095224 48 C s 512 0.091561 35 C s Vector 255 Occ=2.000000D+00 E=-9.565408D-01 MO Center= 1.5D+00, 3.5D-01, 2.0D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 632 0.078556 43 C s 932 -0.077770 63 C s 1442 -0.076083 97 C s 332 0.074676 23 C s 902 -0.072259 61 C s Vector 256 Occ=2.000000D+00 E=-9.562394D-01 MO Center= -6.1D-01, -2.7D-02, 2.0D+00, r^2= 4.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 437 0.069019 30 C s 767 0.067881 52 C s 92 -0.064188 7 C s 422 0.064022 29 C s 32 -0.062482 3 C s 752 0.062624 51 C s Vector 257 Occ=2.000000D+00 E=-9.517510D-01 MO Center= -7.2D-02, 2.5D-01, 1.6D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 527 0.064217 36 C s 542 0.063244 37 C s 857 0.061226 58 C s 692 0.058668 47 C s 197 -0.058064 14 C s Vector 258 Occ=2.000000D+00 E=-9.482650D-01 MO Center= -2.5D-01, -1.3D-01, -1.3D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3572 -0.069370 239 C s 3437 0.068688 230 C s 3542 -0.066649 237 C s 122 0.065040 9 C s 1082 -0.064426 73 C s 3287 -0.064512 220 C s 1067 -0.062691 72 C s 3122 0.062550 209 C s Vector 259 Occ=2.000000D+00 E=-9.472725D-01 MO Center= 3.3D-01, 1.0D+00, -4.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2927 0.072374 196 C s 1547 0.069829 104 C s Vector 260 Occ=2.000000D+00 E=-9.468695D-01 MO Center= 5.4D-01, -1.6D+00, -3.8D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2522 0.075161 169 C s 1847 0.074181 124 C s 1817 0.069444 122 C s Vector 261 Occ=2.000000D+00 E=-9.466264D-01 MO Center= -4.7D-01, 7.3D-01, -1.4D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 452 0.065581 31 C s 3332 0.065108 223 C s 3497 -0.065426 234 C s 3182 -0.063022 213 C s 467 0.061338 32 C s 3482 -0.061445 233 C s 437 0.060924 30 C s 362 -0.059704 25 C s 3047 0.059784 204 C s Vector 262 Occ=2.000000D+00 E=-9.386156D-01 MO Center= -7.3D-02, -1.1D-01, 1.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3572 0.068346 239 C s 3287 0.066690 220 C s 3557 0.064845 238 C s 3242 0.063130 217 C s Vector 263 Occ=2.000000D+00 E=-9.380734D-01 MO Center= 5.2D-02, 5.2D-02, -6.1D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3437 0.083844 230 C s 3392 0.079650 227 C s Vector 264 Occ=2.000000D+00 E=-9.373250D-01 MO Center= 5.7D-02, 7.8D-02, -1.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 332 0.071457 23 C s 437 -0.071070 30 C s 3482 -0.064373 233 C s Vector 265 Occ=2.000000D+00 E=-9.358683D-01 MO Center= 6.4D-01, 3.7D-01, 4.0D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 392 0.065363 27 C s 587 0.064134 40 C s 2912 0.061434 195 C s 1232 -0.060307 83 C s 1202 -0.059848 81 C s 3017 0.059334 202 C s Vector 266 Occ=2.000000D+00 E=-9.355492D-01 MO Center= -2.6D-01, -6.4D-01, 5.1D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1292 0.069450 87 C s 1277 0.066178 86 C s Vector 267 Occ=2.000000D+00 E=-9.350422D-01 MO Center= -7.3D-01, 3.0D-01, -1.0D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 212 0.070314 15 C s 1577 0.067020 106 C s 2297 0.066929 154 C s 2942 0.065940 197 C s 1817 -0.064702 122 C s Vector 268 Occ=2.000000D+00 E=-9.336861D-01 MO Center= 4.3D-01, 1.1D-02, -1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2117 0.068164 142 C s 2057 0.063385 138 C s 2147 0.063690 144 C s 2807 -0.062939 188 C s 2867 -0.062198 192 C s Vector 269 Occ=2.000000D+00 E=-9.254222D-01 MO Center= -3.5D-01, -2.3D-01, -2.0D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3437 0.060408 230 C s 3122 0.056569 209 C s 3392 0.056302 227 C s 3557 0.055268 238 C s 3572 0.054989 239 C s Vector 270 Occ=2.000000D+00 E=-9.205597D-01 MO Center= -1.1D-01, -1.3D-02, 8.5D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1727 0.064817 116 C s 1667 0.061944 112 C s 1937 0.059190 130 C s Vector 271 Occ=2.000000D+00 E=-9.175977D-01 MO Center= -3.9D-01, 5.2D-01, -1.1D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3017 0.078925 202 C s 3257 -0.076381 218 C s 2987 0.073424 200 C s Vector 272 Occ=2.000000D+00 E=-9.171411D-01 MO Center= 6.1D-01, -4.4D-01, -1.3D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3137 0.077643 210 C s 2567 0.072543 172 C s 3077 -0.072721 206 C s Vector 273 Occ=2.000000D+00 E=-9.168352D-01 MO Center= -3.2D-01, 2.3D-01, 4.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 77 0.067719 6 C s 557 -0.067358 38 C s 2 0.064449 1 C s 2492 -0.063493 167 C s 62 -0.062318 5 C s 212 -0.061438 15 C s Vector 274 Occ=2.000000D+00 E=-9.164215D-01 MO Center= 4.5D-01, 1.5D-01, 8.3D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1427 0.078883 96 C s Vector 275 Occ=2.000000D+00 E=-9.162552D-01 MO Center= -2.6D-02, -3.5D-01, 4.1D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1802 -0.066521 121 C s 2297 -0.065267 154 C s 1742 0.063305 117 C s 107 0.061151 8 C s 947 0.061016 64 C s Vector 276 Occ=2.000000D+00 E=-9.156105D-01 MO Center= 2.2D-01, 2.1D-01, 7.2D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 617 0.073665 42 C s 2162 -0.069667 145 C s 602 0.068046 41 C s Vector 277 Occ=2.000000D+00 E=-9.153151D-01 MO Center= -4.1D-01, -1.9D-01, 6.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 737 0.077163 50 C s 797 -0.074339 54 C s 407 0.073861 28 C s 2687 -0.070135 180 C s Vector 278 Occ=2.000000D+00 E=-8.993458D-01 MO Center= 2.0D-01, 3.8D-01, -2.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2897 0.078680 194 C s 2912 0.071135 195 C s Vector 279 Occ=2.000000D+00 E=-8.986018D-01 MO Center= -5.6D-02, -2.3D-01, -3.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 347 0.069852 24 C s 1712 0.068418 115 C s 1562 0.065341 105 C s 1067 0.064841 72 C s Vector 280 Occ=2.000000D+00 E=-8.984905D-01 MO Center= -2.9D-01, -7.8D-02, -4.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 107 0.074262 8 C s 1652 0.074385 111 C s 1802 0.073622 121 C s 1457 0.071336 98 C s Vector 281 Occ=2.000000D+00 E=-8.969056D-01 MO Center= -3.8D-01, -2.9D-01, -1.4D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3002 0.072124 201 C s 3032 0.068775 203 C s 3047 0.065913 204 C s 3107 -0.065316 208 C s Vector 282 Occ=2.000000D+00 E=-8.967260D-01 MO Center= 3.5D-01, 1.3D-01, -1.4D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3227 0.073441 216 C s 3482 0.066857 233 C s 3182 0.066200 213 C s 3512 0.066322 235 C s Vector 283 Occ=2.000000D+00 E=-8.935730D-01 MO Center= -2.1D-02, -6.6D-04, 1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1322 0.078956 89 C s Vector 284 Occ=2.000000D+00 E=-8.922263D-01 MO Center= 5.1D-02, 6.4D-02, 1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1007 0.068510 68 C s 1127 -0.067581 76 C s 842 -0.063653 57 C s 272 -0.062236 19 C s Vector 285 Occ=2.000000D+00 E=-8.889646D-01 MO Center= 7.2D-02, -4.2D-02, 3.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 422 0.063945 29 C s 752 -0.060776 51 C s 1037 0.060185 70 C s 1352 -0.059965 91 C s 2927 -0.060181 196 C s 1427 0.058265 96 C s Vector 286 Occ=2.000000D+00 E=-8.876003D-01 MO Center= 1.1D-01, 1.4D-01, 3.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1847 0.065318 124 C s 1397 -0.064758 94 C s 1817 0.064969 122 C s 1547 -0.064563 104 C s 617 -0.063639 42 C s 1442 -0.062841 97 C s 1667 -0.063029 112 C s 62 0.060529 5 C s 1457 -0.060397 98 C s 2312 -0.060055 155 C s Vector 287 Occ=2.000000D+00 E=-8.872879D-01 MO Center= 2.7D-01, -1.4D-01, 5.7D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 932 0.077872 63 C s 1277 0.072240 86 C s Vector 288 Occ=2.000000D+00 E=-8.870517D-01 MO Center= -9.5D-02, 3.3D-01, 8.3D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 392 0.079888 27 C s Vector 289 Occ=2.000000D+00 E=-8.867007D-01 MO Center= 3.0D-02, -1.6D-01, 6.6D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2207 0.072652 148 C s 722 0.071350 49 C s 2717 -0.069850 182 C s 767 -0.068205 52 C s 632 0.066697 43 C s Vector 290 Occ=2.000000D+00 E=-8.782935D-01 MO Center= -5.0D-02, -8.6D-03, 3.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 167 0.056728 12 C s 1337 0.056816 90 C s 287 0.054307 20 C s 1142 0.051653 77 C s 2147 -0.051576 144 C s 2822 0.051546 189 C s Vector 291 Occ=2.000000D+00 E=-8.756286D-01 MO Center= -4.8D-02, -8.3D-02, -7.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3407 -0.058547 228 C s 1967 0.058024 132 C s 3092 0.057481 207 C s 3272 -0.056493 219 C s 3587 0.054504 240 C s 2057 0.052789 138 C s Vector 292 Occ=2.000000D+00 E=-8.753513D-01 MO Center= -1.3D-01, 4.9D-02, -8.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3347 -0.059797 224 C s 2372 0.059462 159 C s 3152 -0.056750 211 C s Vector 293 Occ=2.000000D+00 E=-8.708247D-01 MO Center= -3.2D-02, -5.8D-03, -2.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1577 0.057917 106 C s 1817 0.057662 122 C s 1547 0.056721 104 C s 1637 0.056184 110 C s 3077 -0.055491 206 C s 2252 -0.055084 151 C s 1667 0.054672 112 C s 1757 0.054750 118 C s 3257 -0.054880 218 C s 1847 0.053610 124 C s Vector 294 Occ=2.000000D+00 E=-8.693370D-01 MO Center= -4.5D-01, 1.1D-01, -9.6D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3287 -0.067635 220 C s 3047 0.067247 204 C s 3122 0.064638 209 C s 3182 -0.062532 213 C s Vector 295 Occ=2.000000D+00 E=-8.690821D-01 MO Center= 4.3D-01, -1.1D-01, -8.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3167 0.069165 212 C s 3002 -0.063399 201 C s Vector 296 Occ=2.000000D+00 E=-8.617446D-01 MO Center= -2.1D-02, -1.5D-01, 7.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 557 0.075402 38 C s 1982 -0.068098 133 C s 2627 -0.068283 176 C s Vector 297 Occ=2.000000D+00 E=-8.615627D-01 MO Center= 1.7D-01, 1.0D-01, 7.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 842 0.075872 57 C s 1997 0.075203 134 C s Vector 298 Occ=2.000000D+00 E=-8.607469D-01 MO Center= 6.7D-02, 5.3D-02, 2.2D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2912 0.068007 195 C s 2267 0.066071 152 C s 1322 0.065236 89 C s 3272 -0.064526 219 C s 2477 -0.062717 166 C s Vector 299 Occ=2.000000D+00 E=-8.602144D-01 MO Center= -7.7D-02, 1.0D-01, 2.1D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1007 0.067079 68 C s 3212 -0.062767 215 C s 1127 -0.062022 76 C s 3032 0.060651 203 C s Vector 300 Occ=2.000000D+00 E=-8.582100D-01 MO Center= -6.8D-03, 1.8D-02, 7.2D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2552 0.063223 171 C s 2972 0.062892 199 C s 2537 -0.060894 170 C s 17 0.060434 2 C s 1427 0.059380 96 C s 2327 -0.059620 156 C s Vector 301 Occ=2.000000D+00 E=-8.572972D-01 MO Center= 1.9D-01, -1.3D-01, 5.0D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1202 0.078043 81 C s Vector 302 Occ=2.000000D+00 E=-8.570558D-01 MO Center= -3.1D-02, 2.2D-02, 2.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1757 0.069730 118 C s 227 0.065445 16 C s 587 -0.064857 40 C s 647 -0.063629 44 C s 782 -0.063712 53 C s 1907 0.063786 128 C s Vector 303 Occ=2.000000D+00 E=-8.568030D-01 MO Center= -9.2D-02, 2.6D-01, 1.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 467 -0.066156 32 C s 242 0.061595 17 C s 632 -0.059814 43 C s Vector 304 Occ=2.000000D+00 E=-8.566741D-01 MO Center= 2.8D-02, -2.3D-01, 3.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1277 0.075123 86 C s 1292 0.067827 87 C s Vector 305 Occ=2.000000D+00 E=-8.460693D-01 MO Center= 1.8D-02, -1.1D-01, -9.3D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1322 0.062490 89 C s 3542 -0.060527 237 C s 152 0.058674 11 C s 1247 -0.058758 84 C s 272 0.058137 19 C s Vector 306 Occ=2.000000D+00 E=-8.440114D-01 MO Center= -9.5D-02, -1.4D-01, -8.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2402 0.065384 161 C s 2627 0.058866 176 C s Vector 307 Occ=2.000000D+00 E=-8.438911D-01 MO Center= -9.5D-03, 2.6D-01, -7.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2537 0.066114 170 C s 2192 0.059858 147 C s Vector 308 Occ=2.000000D+00 E=-8.433983D-01 MO Center= -2.7D-01, 5.4D-03, -7.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2762 0.069838 185 C s 2942 0.068842 197 C s 3197 0.064729 214 C s 2297 0.064109 154 C s 2777 0.064360 186 C s Vector 309 Occ=2.000000D+00 E=-8.424969D-01 MO Center= 1.3D-01, -5.2D-02, -7.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2837 -0.064269 190 C s 1892 0.058840 127 C s 2612 -0.057946 175 C s Vector 310 Occ=2.000000D+00 E=-8.290824D-01 MO Center= 6.4D-02, 1.2D-01, 2.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 677 0.077799 46 C s 557 -0.070308 38 C s Vector 311 Occ=2.000000D+00 E=-8.286926D-01 MO Center= 4.7D-02, -2.8D-01, 5.0D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 572 0.084667 39 C s 842 -0.078649 57 C s Vector 312 Occ=2.000000D+00 E=-8.282104D-01 MO Center= -6.7D-02, 1.9D-01, 1.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1247 0.081891 84 C s Vector 313 Occ=2.000000D+00 E=-8.274541D-01 MO Center= 3.2D-02, 1.0D-01, -1.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3527 -0.072508 236 C s 857 -0.068548 58 C s 3347 0.068115 224 C s 692 0.067298 47 C s Vector 314 Occ=2.000000D+00 E=-8.263669D-01 MO Center= -1.2D-01, -3.0D-02, 8.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1127 0.078584 76 C s Vector 315 Occ=2.000000D+00 E=-8.257033D-01 MO Center= -1.5D-01, -1.1D-01, 2.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1727 0.071653 116 C s 362 0.070004 25 C s 1712 0.068592 115 C s Vector 316 Occ=2.000000D+00 E=-8.255568D-01 MO Center= 2.9D-01, 1.5D-01, 1.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1547 0.068137 104 C s 1892 -0.066967 127 C s 1922 0.067280 129 C s 452 0.064747 31 C s 1397 0.065065 94 C s 1472 -0.064637 99 C s 1667 -0.062655 112 C s Vector 317 Occ=2.000000D+00 E=-8.252924D-01 MO Center= 6.4D-03, 1.1D-01, 2.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1007 0.072015 68 C s Vector 318 Occ=2.000000D+00 E=-8.245779D-01 MO Center= 1.0D-01, -1.1D-01, 2.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 752 0.074114 51 C s 1187 0.068867 80 C s 1307 0.067772 88 C s Vector 319 Occ=2.000000D+00 E=-8.242123D-01 MO Center= -5.4D-02, -1.6D-01, 1.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 632 0.082648 43 C s Vector 320 Occ=2.000000D+00 E=-8.240957D-01 MO Center= 6.4D-02, 2.4D-01, 1.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 617 0.087578 42 C s Vector 321 Occ=2.000000D+00 E=-8.235938D-01 MO Center= -1.5D-02, -1.1D-01, -3.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2087 0.069078 140 C s Vector 322 Occ=2.000000D+00 E=-8.136224D-01 MO Center= -5.6D-02, -6.4D-02, -8.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3272 0.078009 219 C s 3092 0.074575 207 C s 3542 -0.074901 237 C s 3152 0.073735 211 C s Vector 323 Occ=2.000000D+00 E=-8.125220D-01 MO Center= 1.4D-01, 1.8D-01, -9.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3302 0.078461 221 C s 2972 0.074150 199 C s 2747 0.073754 184 C s Vector 324 Occ=2.000000D+00 E=-8.120175D-01 MO Center= -2.6D-01, -2.5D-01, -9.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3482 0.086870 233 C s 2237 0.083046 150 C s 2327 0.081645 156 C s Vector 325 Occ=2.000000D+00 E=-7.966943D-01 MO Center= 3.3D-03, 4.4D-02, 5.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1337 -0.083971 90 C s 872 -0.080844 59 C s 527 0.079318 36 C s 2042 0.077573 137 C s Vector 326 Occ=2.000000D+00 E=-7.962061D-01 MO Center= 9.2D-02, 7.4D-02, 5.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 227 0.063112 16 C s 3437 -0.058495 230 C s 1112 -0.057633 75 C s 1307 -0.056941 88 C s Vector 327 Occ=2.000000D+00 E=-7.956217D-01 MO Center= 7.3D-03, -8.8D-02, 2.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 692 -0.073050 47 C s 512 0.068256 35 C s 3347 0.067610 224 C s Vector 328 Occ=2.000000D+00 E=-7.955401D-01 MO Center= -9.2D-02, 1.3D-01, 5.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 857 0.074985 58 C s 1142 -0.075228 77 C s 242 0.070346 17 C s 542 -0.070075 37 C s 3407 0.069004 228 C s 3527 -0.068960 236 C s Vector 329 Occ=2.000000D+00 E=-7.943124D-01 MO Center= -1.1D-01, 1.7D-01, -1.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 77 0.079147 6 C s 152 0.078134 11 C s 3152 -0.077519 211 C s 557 0.074252 38 C s 3362 -0.073941 225 C s Vector 330 Occ=2.000000D+00 E=-7.939450D-01 MO Center= 2.3D-01, 6.6D-02, -4.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3092 0.084312 207 C s Vector 331 Occ=2.000000D+00 E=-7.937416D-01 MO Center= 2.4D-02, -3.8D-01, 3.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1247 0.086305 84 C s 3542 -0.081836 237 C s 1322 -0.078904 89 C s Vector 332 Occ=2.000000D+00 E=-7.924112D-01 MO Center= -6.6D-02, 1.5D-02, 1.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1682 0.077685 113 C s Vector 333 Occ=2.000000D+00 E=-7.921664D-01 MO Center= -1.9D-01, 3.5D-02, 2.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1877 0.069643 126 C s 257 0.069128 18 C s 2642 -0.064041 177 C s Vector 334 Occ=2.000000D+00 E=-7.916339D-01 MO Center= 1.1D-01, 1.0D-01, 4.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1697 -0.072426 114 C s 1412 0.071778 95 C s Vector 335 Occ=2.000000D+00 E=-7.910579D-01 MO Center= 2.8D-01, 2.6D-02, -1.5D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2087 0.086749 140 C s Vector 336 Occ=2.000000D+00 E=-7.893148D-01 MO Center= 3.2D-02, -2.5D-02, 6.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1277 -0.080818 86 C s 1172 0.078059 79 C s 812 0.073683 55 C s Vector 337 Occ=2.000000D+00 E=-7.890238D-01 MO Center= 3.1D-01, 6.0D-02, -9.3D-02, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2927 -0.083675 196 C s 1382 0.082032 93 C s 2942 0.081662 197 C s Vector 338 Occ=2.000000D+00 E=-7.886073D-01 MO Center= -3.8D-01, 2.9D-01, -2.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 347 0.071171 24 C s 1457 -0.071308 98 C s 2132 -0.070565 143 C s 2987 -0.068706 200 C s 2312 0.065746 155 C s Vector 339 Occ=2.000000D+00 E=-7.881548D-01 MO Center= 5.4D-01, 3.7D-01, -3.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2777 0.072927 186 C s 1442 0.071475 97 C s 2702 -0.070711 181 C s 2267 -0.069643 152 C s 947 -0.066133 64 C s 2717 -0.065710 182 C s Vector 340 Occ=2.000000D+00 E=-7.877959D-01 MO Center= -4.4D-01, -6.1D-01, -2.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2177 0.077980 146 C s 437 -0.073867 30 C s 782 0.071662 53 C s 2687 0.070334 180 C s Vector 341 Occ=2.000000D+00 E=-7.688894D-01 MO Center= 2.3D-01, -2.3D-02, -6.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2492 0.084112 167 C s 3137 -0.079937 210 C s 2567 -0.079488 172 C s 3437 0.078639 230 C s 2477 0.076600 166 C s Vector 342 Occ=2.000000D+00 E=-7.685626D-01 MO Center= -3.0D-01, 8.7D-02, 1.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1637 0.071376 110 C s 122 0.069581 9 C s 1817 0.067647 122 C s Vector 343 Occ=2.000000D+00 E=-7.679809D-01 MO Center= -1.6D-01, 2.3D-01, -4.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3377 0.075575 226 C s 2282 -0.075050 153 C s 512 0.070354 35 C s 2357 0.069911 158 C s Vector 344 Occ=2.000000D+00 E=-7.674981D-01 MO Center= -1.5D-01, -3.7D-01, -1.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1367 0.074905 92 C s 3542 -0.074243 237 C s 2912 0.071181 195 C s 1247 -0.070492 84 C s Vector 345 Occ=2.000000D+00 E=-7.672837D-01 MO Center= -1.6D-01, 4.9D-01, -1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3332 0.095054 223 C s Vector 346 Occ=2.000000D+00 E=-7.670036D-01 MO Center= -1.6D-01, -4.4D-01, -8.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3227 -0.081361 216 C s 3497 0.080986 234 C s 3182 0.076989 213 C s Vector 347 Occ=2.000000D+00 E=-7.664953D-01 MO Center= -7.8D-02, -1.2D-02, -4.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3032 0.074571 203 C s Vector 348 Occ=2.000000D+00 E=-7.660965D-01 MO Center= 2.0D-01, 1.4D-01, -3.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3062 0.076228 205 C s 2882 0.074140 193 C s 3392 -0.069731 227 C s Vector 349 Occ=2.000000D+00 E=-7.659648D-01 MO Center= -1.8D-01, 5.0D-02, -6.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3212 -0.074386 215 C s 2672 0.073866 179 C s 2957 0.073049 198 C s 1037 0.068378 70 C s Vector 350 Occ=2.000000D+00 E=-7.655591D-01 MO Center= 2.2D-01, -3.0D-01, -3.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2222 -0.084457 149 C s 2237 0.078302 150 C s 647 0.077013 44 C s Vector 351 Occ=2.000000D+00 E=-7.653693D-01 MO Center= 1.6D-01, -2.2D-01, 2.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 407 0.074046 28 C s 3077 0.072817 206 C s 992 0.067150 67 C s Vector 352 Occ=2.000000D+00 E=-7.589322D-01 MO Center= 2.6D-02, -1.2D-01, 4.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1487 0.071017 100 C s Vector 353 Occ=2.000000D+00 E=-7.581700D-01 MO Center= 2.1D-01, 2.4D-01, 1.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2867 0.089601 192 C s 1022 0.083437 69 C s Vector 354 Occ=2.000000D+00 E=-7.574717D-01 MO Center= -7.0D-01, -1.5D-01, -6.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2132 0.086014 143 C s Vector 355 Occ=2.000000D+00 E=-7.570813D-01 MO Center= 5.1D-01, 2.2D-02, -3.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2072 0.078556 139 C s 2657 -0.076536 178 C s Vector 356 Occ=2.000000D+00 E=-7.349186D-01 MO Center= 1.1D-01, 1.0D-01, 1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1832 0.056594 123 C s 1652 0.053886 111 C s 422 0.052666 29 C s 1562 0.052453 105 C s 572 0.051130 39 C s Vector 357 Occ=2.000000D+00 E=-7.337201D-01 MO Center= -1.2D-01, 4.1D-01, 3.9D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1592 -0.065930 107 C s 1596 -0.064830 107 C s 257 0.064334 18 C s 261 0.061043 18 C s 2597 0.060569 174 C s Vector 358 Occ=2.000000D+00 E=-7.336797D-01 MO Center= -9.3D-02, -2.8D-01, -3.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1772 0.075836 119 C s 2447 -0.075180 164 C s 1776 0.074728 119 C s 1967 -0.073681 132 C s 2451 -0.069062 164 C s Vector 359 Occ=2.000000D+00 E=-7.329763D-01 MO Center= 1.7D-01, 2.5D-01, -5.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2672 -0.073323 179 C s 2582 0.071569 173 C s 2586 0.067136 173 C s 2676 -0.067030 179 C s Vector 360 Occ=2.000000D+00 E=-7.322286D-01 MO Center= -6.0D-01, -4.4D-01, -4.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1682 0.066104 113 C s 2432 -0.063969 163 C s 1686 0.062820 113 C s 2132 -0.061830 143 C s Vector 361 Occ=2.000000D+00 E=-7.318558D-01 MO Center= 3.7D-01, -1.3D-01, -4.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1862 0.067733 125 C s 2657 -0.066336 178 C s 1866 0.065262 125 C s 3407 0.065152 228 C s 2852 -0.064208 191 C s 2661 -0.061872 178 C s 2072 -0.061344 139 C s Vector 362 Occ=2.000000D+00 E=-7.252380D-01 MO Center= -1.6D-01, 5.6D-01, -8.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3469 -0.057351 232 C py 3408 0.055955 228 C px 3362 0.055304 225 C s 3302 0.053726 221 C s 3528 -0.053626 236 C px 2792 -0.052504 187 C s 452 -0.052157 31 C s 3349 0.051765 224 C py Vector 363 Occ=2.000000D+00 E=-7.244191D-01 MO Center= 1.9D-01, -3.0D-01, -1.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3317 0.056274 222 C s 2552 -0.055932 171 C s 1082 -0.055469 73 C s 77 0.052390 6 C s 484 -0.051387 33 C py Vector 364 Occ=2.000000D+00 E=-7.237682D-01 MO Center= -1.7D-01, -2.9D-01, 1.5D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 0.052072 2 C s 3377 0.050403 226 C s 752 -0.049705 51 C s 183 -0.049309 13 C px 782 0.048582 53 C s 1262 0.048219 85 C s 1472 0.047818 99 C s 2537 -0.047575 170 C s Vector 365 Occ=2.000000D+00 E=-7.188561D-01 MO Center= -2.0D-01, 7.8D-01, 1.6D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 242 0.075082 17 C s 497 -0.068435 34 C s Vector 366 Occ=2.000000D+00 E=-7.170774D-01 MO Center= -8.8D-02, 2.4D-01, 1.4D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 227 0.065994 16 C s 137 0.062119 10 C s 514 -0.060571 35 C py Vector 367 Occ=2.000000D+00 E=-7.164929D-01 MO Center= 6.1D-01, -5.7D-01, 1.2D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 844 0.068394 57 C py 1009 -0.066974 68 C py 1202 0.067013 81 C s 827 0.065259 56 C s Vector 368 Occ=2.000000D+00 E=-7.151371D-01 MO Center= 1.4D-01, -3.7D-01, 1.1D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 902 0.063542 61 C s 932 -0.062402 63 C s 1232 0.062253 83 C s Vector 369 Occ=2.000000D+00 E=-7.139993D-01 MO Center= -1.6D-01, -2.1D-02, 4.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2297 -0.055786 154 C s 467 0.054409 32 C s 2732 -0.053959 183 C s 962 0.051522 65 C s 2104 -0.051762 141 C py 2614 -0.051003 175 C py Vector 370 Occ=2.000000D+00 E=-6.966352D-01 MO Center= 1.1D-02, 1.0D+00, 1.3D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1506 0.073636 101 C s 546 0.071153 37 C s 876 -0.069095 59 C s 381 -0.068254 26 C s 291 -0.066315 20 C s Vector 371 Occ=2.000000D+00 E=-6.965958D-01 MO Center= 1.3D+00, -3.8D-01, 1.2D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1416 0.076630 95 C s 1412 0.072689 95 C s 1776 -0.070276 119 C s 861 -0.069450 58 C s Vector 372 Occ=2.000000D+00 E=-6.956354D-01 MO Center= -1.3D+00, -8.0D-01, 6.0D-02, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 261 0.075322 18 C s 257 0.071914 18 C s 1686 -0.068982 113 C s Vector 373 Occ=2.000000D+00 E=-6.934104D-01 MO Center= -4.7D-02, 3.3D-01, 3.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1221 0.058694 82 C s 396 0.058370 27 C s 711 0.057264 48 C s 831 -0.055932 56 C s 591 0.055278 40 C s 216 0.054330 15 C s 3516 -0.053938 235 C s 1206 0.052933 81 C s Vector 374 Occ=2.000000D+00 E=-6.928629D-01 MO Center= -9.2D-02, 6.3D-01, -8.6D-02, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 141 0.072379 10 C s Vector 375 Occ=2.000000D+00 E=-6.919904D-01 MO Center= -3.9D-02, -1.3D-01, -1.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1911 0.066958 128 C s 3107 0.063880 208 C s 711 0.062915 48 C s Vector 376 Occ=2.000000D+00 E=-6.919307D-01 MO Center= 1.5D-01, -2.1D-01, -2.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 906 0.073746 61 C s Vector 377 Occ=2.000000D+00 E=-6.913905D-01 MO Center= -9.9D-02, 1.3D-01, 3.5D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 351 0.080974 24 C s 347 0.075886 24 C s Vector 378 Occ=2.000000D+00 E=-6.908744D-01 MO Center= 4.1D-02, 5.0D-01, -7.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 456 0.076327 31 C s 2777 0.068944 186 C s Vector 379 Occ=2.000000D+00 E=-6.905185D-01 MO Center= -8.5D-02, -8.4D-03, -9.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1071 0.070822 72 C s 2987 0.063827 200 C s 3527 0.064097 236 C s Vector 380 Occ=2.000000D+00 E=-6.900763D-01 MO Center= 5.5D-01, 6.0D-01, 3.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2642 -0.068262 177 C s 2646 -0.068353 177 C s 2567 0.064816 172 C s 2571 0.062680 172 C s Vector 381 Occ=2.000000D+00 E=-6.898105D-01 MO Center= -2.3D-01, -9.1D-01, -4.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 606 0.070334 41 C s 602 0.067087 41 C s Vector 382 Occ=2.000000D+00 E=-6.893067D-01 MO Center= 2.5D-01, 1.4D-01, 2.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 276 0.068935 19 C s 1011 0.068271 68 C s 1007 0.066525 68 C s 1204 0.062152 81 C py 3096 -0.062206 207 C s Vector 383 Occ=2.000000D+00 E=-6.885756D-01 MO Center= -1.0D-01, 1.6D-01, 5.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 621 0.070492 42 C s 576 -0.070132 39 C s 77 0.064500 6 C s 81 0.063706 6 C s Vector 384 Occ=2.000000D+00 E=-6.883476D-01 MO Center= -3.4D-01, -3.9D-01, 1.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 681 0.065862 46 C s Vector 385 Occ=2.000000D+00 E=-6.875723D-01 MO Center= 1.9D-01, 6.8D-02, 1.5D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1431 0.070022 96 C s 426 0.069325 29 C s 422 0.068145 29 C s 1427 0.065479 96 C s Vector 386 Occ=2.000000D+00 E=-6.863039D-01 MO Center= 7.6D-02, -8.7D-02, -5.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2616 -0.064073 175 C s 1566 0.059296 105 C s 2091 0.058989 140 C s 3047 0.058346 204 C s 2612 -0.058024 175 C s Vector 387 Occ=2.000000D+00 E=-6.856421D-01 MO Center= -4.0D-02, -2.2D-01, -5.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1806 0.064541 121 C s Vector 388 Occ=2.000000D+00 E=-6.816486D-01 MO Center= 5.1D-01, -2.8D-02, -6.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3032 0.070092 203 C s 3036 0.066713 203 C s 3291 0.064004 220 C s Vector 389 Occ=2.000000D+00 E=-6.810484D-01 MO Center= -7.1D-01, -8.2D-02, -9.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3212 0.073414 215 C s 3216 0.068745 215 C s Vector 390 Occ=2.000000D+00 E=-6.781819D-01 MO Center= -1.6D-01, 6.7D-01, -2.2D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2972 0.070325 199 C s 3408 -0.068931 228 C px 2976 0.068503 199 C s 3469 0.068498 232 C py 3528 0.066652 236 C px 2957 0.065489 198 C s Vector 391 Occ=2.000000D+00 E=-6.773072D-01 MO Center= -2.3D-02, -6.7D-01, -7.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2237 0.068983 150 C s 2241 0.065990 150 C s 2433 -0.064189 163 C px Vector 392 Occ=2.000000D+00 E=-6.770404D-01 MO Center= -7.9D-02, -1.8D-01, -5.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2087 0.067998 140 C s 2091 0.064705 140 C s 2826 -0.064034 189 C s 2421 -0.062239 162 C s Vector 393 Occ=2.000000D+00 E=-6.518609D-01 MO Center= 4.1D-02, -4.1D-02, -1.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 516 -0.076088 35 C s 216 0.074295 15 C s 3381 -0.071104 226 C s 3396 0.071139 227 C s Vector 394 Occ=2.000000D+00 E=-6.508081D-01 MO Center= -9.0D-03, 1.6D-01, -2.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 246 0.076534 17 C s 411 0.075349 28 C s 501 -0.073911 34 C s 3066 -0.074260 205 C s 3111 0.074041 208 C s Vector 395 Occ=2.000000D+00 E=-6.501694D-01 MO Center= 4.6D-02, -5.2D-02, -1.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 606 0.071168 41 C s 276 -0.064567 19 C s 1911 -0.064661 128 C s Vector 396 Occ=2.000000D+00 E=-6.491682D-01 MO Center= 7.9D-02, -3.0D-01, -2.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1086 0.072152 73 C s 2196 -0.071024 147 C s 366 0.068989 25 C s 1071 -0.068887 72 C s 1536 -0.066475 103 C s 126 -0.065021 9 C s Vector 397 Occ=2.000000D+00 E=-6.490344D-01 MO Center= -4.1D-02, 5.2D-03, -2.1D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3486 -0.072731 233 C s 1011 0.068657 68 C s 1236 0.067585 83 C s 1281 0.067663 86 C s Vector 398 Occ=2.000000D+00 E=-6.486331D-01 MO Center= -1.3D-01, 1.2D-01, -1.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 471 0.073985 32 C s 2361 -0.072357 158 C s 1941 0.068262 130 C s Vector 399 Occ=2.000000D+00 E=-6.483228D-01 MO Center= -4.1D-02, -1.6D-02, 9.3D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3546 0.067442 237 C s 816 -0.066021 55 C s 3186 -0.066255 213 C s 2211 -0.064705 148 C s 3501 0.063758 234 C s 1056 0.062302 71 C s 1326 -0.061887 89 C s 756 0.060827 51 C s Vector 400 Occ=2.000000D+00 E=-6.451266D-01 MO Center= 5.5D-01, -9.3D-02, 7.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 546 0.088603 37 C s 1776 0.084720 119 C s Vector 401 Occ=2.000000D+00 E=-6.447633D-01 MO Center= 2.2D-01, -5.2D-01, 6.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 531 0.079088 36 C s 1206 0.072957 81 C s 1686 0.071675 113 C s Vector 402 Occ=2.000000D+00 E=-6.445719D-01 MO Center= 4.7D-01, 9.0D-02, 1.8D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1506 0.092781 101 C s Vector 403 Occ=2.000000D+00 E=-6.439911D-01 MO Center= -7.4D-01, 4.7D-01, 1.4D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1596 0.097267 107 C s Vector 404 Occ=2.000000D+00 E=-6.433536D-01 MO Center= -3.8D-03, 2.3D-01, 1.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2046 0.076761 137 C s 996 0.072690 67 C s 1146 0.072904 77 C s 2886 0.070005 193 C s Vector 405 Occ=2.000000D+00 E=-6.407630D-01 MO Center= -3.1D-01, 9.2D-01, 1.5D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 186 0.083489 13 C s 321 0.077435 22 C s 261 -0.076694 18 C s Vector 406 Occ=2.000000D+00 E=-6.406151D-01 MO Center= 1.1D+00, 9.4D-01, 1.5D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 891 -0.092911 60 C s 381 0.091877 26 C s Vector 407 Occ=2.000000D+00 E=-6.400676D-01 MO Center= 3.5D-01, -3.5D-01, -2.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1416 0.088789 95 C s Vector 408 Occ=2.000000D+00 E=-6.398950D-01 MO Center= 5.5D-01, -1.5D+00, -5.3D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2586 -0.098078 173 C s 2376 0.095214 159 C s Vector 409 Occ=2.000000D+00 E=-6.389760D-01 MO Center= -2.0D+00, 1.9D-01, -4.4D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2061 0.103546 138 C s Vector 410 Occ=2.000000D+00 E=-6.365560D-01 MO Center= -1.1D-01, 1.7D+00, -1.1D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2811 0.099887 188 C s Vector 411 Occ=2.000000D+00 E=-6.362116D-01 MO Center= 1.6D+00, -7.3D-01, -1.2D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2601 0.102368 174 C s Vector 412 Occ=2.000000D+00 E=-6.356507D-01 MO Center= -1.5D+00, -1.0D+00, -1.2D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2076 0.110533 139 C s Vector 413 Occ=2.000000D+00 E=-6.351564D-01 MO Center= 7.5D-04, -2.0D-01, -2.6D+00, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3531 0.091770 236 C s 2151 -0.088500 144 C s 2147 -0.082676 144 C s Vector 414 Occ=2.000000D+00 E=-6.180637D-01 MO Center= 4.8D-02, 7.5D-02, 1.8D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1293 0.052225 87 C px 1308 -0.051586 88 C px 514 0.050143 35 C py 1219 0.050131 82 C py 1353 -0.048255 91 C px Vector 415 Occ=2.000000D+00 E=-6.101514D-01 MO Center= -5.2D-02, 3.5D-02, -1.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 216 0.072513 15 C s 231 0.071861 16 C s 591 0.070435 40 C s 3396 -0.068710 227 C s 1296 0.066591 87 C s 3576 -0.066608 239 C s 3441 -0.065931 230 C s Vector 416 Occ=2.000000D+00 E=-6.083345D-01 MO Center= 4.3D-02, -4.4D-02, -9.6D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 741 0.077461 50 C s 2781 -0.070372 186 C s Vector 417 Occ=2.000000D+00 E=-6.079827D-01 MO Center= -2.0D-02, 7.1D-02, -8.0D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1386 0.083695 93 C s 2211 0.077584 148 C s 2931 -0.076608 196 C s Vector 418 Occ=2.000000D+00 E=-6.076627D-01 MO Center= -5.4D-03, -4.4D-02, -1.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3591 -0.084067 240 C s 876 0.076845 59 C s Vector 419 Occ=2.000000D+00 E=-6.075865D-01 MO Center= 5.2D-02, 8.2D-03, -1.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3486 0.087860 233 C s 1101 0.083883 74 C s 141 0.082601 10 C s 846 -0.082574 57 C s Vector 420 Occ=2.000000D+00 E=-6.069561D-01 MO Center= 3.3D-02, 1.1D-03, -6.3D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 21 0.080073 2 C s 591 -0.078699 40 C s 501 -0.077154 34 C s 3364 -0.077062 225 C py 2541 -0.075651 170 C s 3456 0.075536 231 C s 559 -0.072748 38 C py 3381 -0.072145 226 C s Vector 421 Occ=2.000000D+00 E=-6.061528D-01 MO Center= -2.2D-02, -1.8D-03, -1.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 201 0.079815 14 C s 2706 -0.073312 181 C s Vector 422 Occ=2.000000D+00 E=-6.059383D-01 MO Center= -3.8D-02, -7.0D-03, -1.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3576 -0.087724 239 C s 1296 0.085978 87 C s 3561 0.082963 238 C s 1236 -0.080268 83 C s Vector 423 Occ=2.000000D+00 E=-6.054358D-01 MO Center= 6.8D-03, -7.1D-02, -1.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2286 -0.096149 153 C s 936 0.093818 63 C s Vector 424 Occ=2.000000D+00 E=-6.047234D-01 MO Center= -1.1D-02, 4.8D-04, -9.9D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3291 -0.079240 220 C s 1281 0.076401 86 C s 3261 -0.076752 218 C s 1176 -0.075354 79 C s 2706 0.073027 181 C s Vector 425 Occ=2.000000D+00 E=-6.036637D-01 MO Center= -3.1D-02, 2.5D-02, -2.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2301 -0.087475 154 C s 471 0.082153 32 C s 1401 0.081610 94 C s 801 -0.080071 54 C s 1911 0.079281 128 C s Vector 426 Occ=2.000000D+00 E=-6.035606D-01 MO Center= -5.9D-02, -4.8D-02, -2.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 366 0.085254 25 C s 1731 -0.082720 116 C s 1671 -0.078841 112 C s Vector 427 Occ=2.000000D+00 E=-5.943357D-01 MO Center= -4.2D-02, 7.9D-02, 7.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1353 0.067162 91 C px 1429 -0.063751 96 C py 1413 -0.063136 95 C px 1083 0.062618 73 C px 1578 0.061176 106 C px Vector 428 Occ=2.000000D+00 E=-5.934325D-01 MO Center= 4.4D-01, 1.7D-01, -8.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3379 0.067443 226 C py 514 0.065664 35 C py 3573 0.065742 239 C px 1293 0.061652 87 C px 3438 0.061726 230 C px Vector 429 Occ=2.000000D+00 E=-5.927269D-01 MO Center= -3.3D-01, -1.8D-01, 5.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 919 0.062643 62 C py 979 -0.062138 66 C py 1925 0.058911 129 C pz 1008 0.058139 68 C px Vector 430 Occ=2.000000D+00 E=-5.838876D-01 MO Center= 1.9D-01, -6.4D-01, 1.7D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 528 0.105305 36 C px Vector 431 Occ=2.000000D+00 E=-5.832121D-01 MO Center= 1.9D-02, 5.6D-01, 1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 873 0.076195 59 C px 1518 -0.075521 102 C px 1594 -0.074960 107 C py 1503 0.069160 101 C px Vector 432 Occ=2.000000D+00 E=-5.813439D-01 MO Center= 1.4D-01, 1.9D-01, 2.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 168 0.085226 12 C px 2463 0.077721 165 C px Vector 433 Occ=2.000000D+00 E=-5.805838D-01 MO Center= 3.3D-01, 1.3D-01, 2.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 994 0.089840 67 C py Vector 434 Occ=2.000000D+00 E=-5.736909D-01 MO Center= -4.3D-01, 7.2D-01, 4.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3409 0.079387 228 C py 3591 -0.075849 240 C s 3291 -0.073008 220 C s 153 0.072583 11 C px 681 -0.072042 46 C s 1251 0.071468 84 C s Vector 435 Occ=2.000000D+00 E=-5.732113D-01 MO Center= -4.9D-02, 3.1D-01, -3.6D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3468 -0.085485 232 C px 696 0.078380 47 C s Vector 436 Occ=2.000000D+00 E=-5.729775D-01 MO Center= -4.0D-01, -4.3D-01, 1.4D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1626 0.080606 109 C s 1431 -0.075963 96 C s Vector 437 Occ=2.000000D+00 E=-5.720315D-01 MO Center= 5.0D-01, -5.0D-01, 1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1776 -0.085422 119 C s 1009 0.077863 68 C py 1926 -0.076959 129 C s Vector 438 Occ=2.000000D+00 E=-5.715626D-01 MO Center= 5.1D-02, -1.2D-01, -8.1D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1701 0.078009 114 C s 1143 0.072332 77 C px 1866 -0.072111 125 C s Vector 439 Occ=2.000000D+00 E=-5.701560D-01 MO Center= 2.4D-01, 1.0D-01, 2.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1011 0.077386 68 C s 276 0.071154 19 C s Vector 440 Occ=2.000000D+00 E=-5.687137D-01 MO Center= -5.1D-02, 6.4D-04, -5.8D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 543 0.083852 37 C px 3408 -0.082623 228 C px Vector 441 Occ=2.000000D+00 E=-5.660433D-01 MO Center= -3.5D-02, -1.7D-02, -1.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 351 0.081681 24 C s 306 0.074270 21 C s Vector 442 Occ=2.000000D+00 E=-5.655464D-01 MO Center= 8.7D-02, -4.5D-02, -1.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2571 0.090458 172 C s 141 0.085096 10 C s Vector 443 Occ=2.000000D+00 E=-5.648056D-01 MO Center= 4.0D-02, 1.1D-01, -4.2D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1371 -0.078159 92 C s 1056 0.075451 71 C s 2496 -0.075090 167 C s 96 -0.074369 7 C s 1116 0.074616 75 C s 36 0.073391 3 C s 2901 0.073077 194 C s Vector 444 Occ=2.000000D+00 E=-5.645284D-01 MO Center= 9.6D-04, -6.6D-02, 3.7D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1400 0.076289 94 C pz 1550 -0.071694 104 C pz 1431 0.070396 96 C s 1475 0.069141 99 C pz Vector 445 Occ=2.000000D+00 E=-5.640710D-01 MO Center= -3.4D-02, -1.0D-01, -7.3D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 636 0.091912 43 C s Vector 446 Occ=2.000000D+00 E=-5.635284D-01 MO Center= -5.0D-02, -2.8D-03, -6.4D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 936 0.087531 63 C s 2286 0.081270 153 C s Vector 447 Occ=2.000000D+00 E=-5.631982D-01 MO Center= -4.3D-01, 5.1D-02, -3.2D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3306 -0.070815 221 C s 1640 0.070234 110 C pz 470 0.069251 32 C pz 800 0.065952 54 C pz 2226 -0.066212 149 C s 2299 -0.064651 154 C py 2631 -0.064120 176 C s Vector 448 Occ=2.000000D+00 E=-5.624638D-01 MO Center= 2.9D-01, 9.3D-01, -1.9D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3426 0.106238 229 C s Vector 449 Occ=2.000000D+00 E=-5.619699D-01 MO Center= -5.7D-01, -4.7D-01, -1.4D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3366 -0.089426 225 C s 2106 0.088603 141 C s Vector 450 Occ=2.000000D+00 E=-5.616883D-01 MO Center= -8.0D-02, -9.1D-02, -4.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 456 0.080742 31 C s 2736 0.076062 183 C s 2931 0.072841 196 C s Vector 451 Occ=2.000000D+00 E=-5.614662D-01 MO Center= 1.8D-01, -5.2D-01, -9.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3546 -0.095262 237 C s 2406 0.094195 161 C s Vector 452 Occ=2.000000D+00 E=-5.550193D-01 MO Center= -6.6D-02, 9.0D-02, -1.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3379 -0.078854 226 C py 514 0.074864 35 C py 3546 0.073566 237 C s Vector 453 Occ=2.000000D+00 E=-5.537981D-01 MO Center= 2.0D-01, -1.5D-01, -9.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1806 -0.075249 121 C s 1986 -0.072507 133 C s 2495 -0.072129 167 C pz 964 0.068634 65 C py Vector 454 Occ=2.000000D+00 E=-5.535126D-01 MO Center= 9.5D-02, -1.1D-01, 4.0D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1083 0.077225 73 C px 1398 -0.076491 94 C px 2556 0.072151 171 C s 81 0.071386 6 C s Vector 455 Occ=2.000000D+00 E=-5.532281D-01 MO Center= -6.6D-02, -5.4D-02, 1.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2346 0.083553 157 C s 921 0.082817 62 C s Vector 456 Occ=2.000000D+00 E=-5.529243D-01 MO Center= -5.8D-02, 2.1D-01, -7.1D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1896 -0.075280 127 C s 2091 -0.071020 140 C s 904 0.069258 61 C py Vector 457 Occ=2.000000D+00 E=-5.352771D-01 MO Center= 1.2D-01, -1.0D-01, 4.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 876 -0.064270 59 C s 3531 0.064558 236 C s 1596 -0.063717 107 C s 861 0.063193 58 C s 1116 0.063424 75 C s 1461 0.062517 98 C s 1206 0.062023 81 C s 1611 0.062034 108 C s 2586 0.061954 173 C s 3591 -0.062212 240 C s Vector 458 Occ=2.000000D+00 E=-5.347053D-01 MO Center= 3.4D-02, 1.4D-01, 1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 816 0.071612 55 C s 3411 0.070982 228 C s 546 0.070405 37 C s Vector 459 Occ=2.000000D+00 E=-5.344878D-01 MO Center= -2.9D-02, -3.5D-02, 6.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 844 -0.068347 57 C py 186 -0.067435 13 C s 171 0.066518 12 C s 66 0.065421 5 C s 411 0.064835 28 C s 1370 -0.064794 92 C pz 949 -0.063769 64 C py 1476 -0.064004 99 C s 606 -0.063215 41 C s 1881 0.062077 126 C s Vector 460 Occ=2.000000D+00 E=-5.339043D-01 MO Center= 7.6D-03, 1.0D-01, 5.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 666 0.070831 45 C s 996 0.067481 67 C s 6 0.066171 1 C s 891 -0.065405 60 C s 1761 0.063864 118 C s Vector 461 Occ=2.000000D+00 E=-5.254260D-01 MO Center= -1.3D-01, 3.6D-02, 4.7D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 529 0.075358 36 C py 574 -0.075198 39 C py 3424 -0.072777 229 C py 3469 0.067975 232 C py Vector 462 Occ=2.000000D+00 E=-5.233056D-01 MO Center= -2.3D-01, 1.2D-02, 7.4D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1640 0.082986 110 C pz Vector 463 Occ=2.000000D+00 E=-5.229267D-01 MO Center= -2.1D-01, 3.3D-01, 7.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1670 -0.087137 112 C pz 769 0.084253 52 C py Vector 464 Occ=2.000000D+00 E=-5.225484D-01 MO Center= 9.1D-01, 2.4D-01, 9.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1806 0.078987 121 C s 199 -0.075701 14 C py 724 0.073620 49 C py 1926 0.073560 129 C s 65 0.072878 5 C pz 229 0.072518 16 C py 573 0.071600 39 C px 2840 0.071471 190 C pz Vector 465 Occ=2.000000D+00 E=-5.220741D-01 MO Center= 2.4D-01, -1.5D-01, 1.3D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1128 0.092327 76 C px 844 -0.087719 57 C py 1218 -0.085961 82 C px 1113 -0.084411 75 C px Vector 466 Occ=2.000000D+00 E=-5.219388D-01 MO Center= 2.1D-01, 8.1D-02, 2.5D-03, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1009 0.080014 68 C py 153 -0.072523 11 C px Vector 467 Occ=2.000000D+00 E=-5.215160D-01 MO Center= 2.6D-01, -1.8D-01, 9.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1174 0.102679 79 C py Vector 468 Occ=2.000000D+00 E=-5.209974D-01 MO Center= -3.9D-01, -3.8D-01, 9.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1311 0.082909 88 C s 513 0.080037 35 C px 1760 -0.078232 118 C pz 800 -0.077726 54 C pz 2090 0.076216 140 C pz Vector 469 Occ=2.000000D+00 E=-5.190212D-01 MO Center= -4.9D-02, 1.1D-01, 2.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 276 0.083791 19 C s 409 -0.083196 28 C py 303 0.075938 21 C px Vector 470 Occ=2.000000D+00 E=-5.183734D-01 MO Center= 1.3D-01, 1.4D-01, 1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1011 -0.091590 68 C s 904 0.090034 61 C py Vector 471 Occ=2.000000D+00 E=-5.180936D-01 MO Center= -3.4D-01, -1.0D-01, -4.3D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 726 0.078281 49 C s 213 0.072144 15 C px 365 0.071989 25 C pz 350 -0.070982 24 C pz 3468 0.071052 232 C px Vector 472 Occ=2.000000D+00 E=-5.179926D-01 MO Center= -1.5D-02, 1.1D-01, -1.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3409 0.090205 228 C py Vector 473 Occ=2.000000D+00 E=-5.174939D-01 MO Center= -3.2D-01, 3.3D-01, -1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3471 -0.085317 232 C s 531 0.083764 36 C s Vector 474 Occ=2.000000D+00 E=-5.169373D-01 MO Center= -1.4D-01, -7.3D-02, -3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3469 -0.084246 232 C py 1326 0.080758 89 C s Vector 475 Occ=2.000000D+00 E=-5.164230D-01 MO Center= 2.0D-01, 4.9D-01, -3.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2631 0.075464 176 C s 2749 0.072352 184 C py 2659 -0.071345 178 C py 65 -0.070238 5 C pz Vector 476 Occ=2.000000D+00 E=-5.163449D-01 MO Center= 2.4D-02, -8.9D-02, -4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3306 0.075870 221 C s Vector 477 Occ=2.000000D+00 E=-5.162263D-01 MO Center= -3.9D-02, -8.7D-02, -1.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2616 0.072687 175 C s 2421 0.068425 162 C s Vector 478 Occ=2.000000D+00 E=-5.160837D-01 MO Center= -1.9D-01, -4.7D-01, -3.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2106 0.094712 141 C s Vector 479 Occ=2.000000D+00 E=-5.147628D-01 MO Center= -7.9D-02, -1.3D-01, -1.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2388 0.094731 160 C px Vector 480 Occ=2.000000D+00 E=-5.143694D-01 MO Center= 1.9D-01, 4.7D-02, -8.1D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2599 0.086510 174 C py 1594 0.081211 107 C py Vector 481 Occ=2.000000D+00 E=-5.135784D-01 MO Center= -9.7D-02, -6.0D-02, -1.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2149 0.082104 144 C py 994 0.075145 67 C py Vector 482 Occ=2.000000D+00 E=-5.131112D-01 MO Center= 1.4D-01, 1.0D-01, -1.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1939 0.084764 130 C py 469 0.083520 32 C py 2704 0.080216 181 C py 1909 -0.079538 128 C py 2689 -0.079893 180 C py 2735 -0.079745 183 C pz 799 -0.078040 54 C py Vector 483 Occ=2.000000D+00 E=-5.128241D-01 MO Center= -2.2D-01, -1.3D-02, -2.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2284 -0.086300 153 C py 2269 0.084638 152 C py Vector 484 Occ=2.000000D+00 E=-5.121921D-01 MO Center= 2.2D-02, -1.8D-01, -1.7D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2478 0.081855 166 C px 3513 -0.081943 235 C px 3018 -0.075067 202 C px 3393 -0.073940 227 C px Vector 485 Occ=2.000000D+00 E=-5.121499D-01 MO Center= 9.6D-02, -6.8D-02, -1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3378 -0.077098 226 C px 2151 0.076174 144 C s 2178 0.071915 146 C px 3063 0.071963 205 C px 3454 -0.070831 231 C py Vector 486 Occ=2.000000D+00 E=-5.036289D-01 MO Center= 2.8D-03, 1.1D-01, 3.8D+00, r^2= 3.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 545 0.065960 37 C pz 530 0.065595 36 C pz 560 0.062180 38 C pz 575 0.062290 39 C pz 695 0.062058 47 C pz 860 0.060800 58 C pz 875 0.059630 59 C pz Vector 487 Occ=2.000000D+00 E=-4.970992D-01 MO Center= 8.8D-02, -8.1D-02, 2.0D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1789 0.067634 120 C py 94 0.062878 7 C py Vector 488 Occ=2.000000D+00 E=-4.960540D-01 MO Center= 3.3D-01, 5.0D-02, 2.1D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1878 0.064947 126 C px 634 0.063821 43 C py 768 0.062382 52 C px Vector 489 Occ=2.000000D+00 E=-4.940060D-01 MO Center= -1.5D-01, 9.3D-02, -3.1D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3590 0.104472 240 C pz 3350 0.103484 224 C pz 3410 0.103538 228 C pz 3470 0.103163 232 C pz 3530 0.102683 236 C pz Vector 490 Occ=2.000000D+00 E=-4.898762D-01 MO Center= -8.3D-02, 9.1D-02, 4.5D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3590 0.085177 240 C pz 3350 0.084104 224 C pz 3530 0.084446 236 C pz 3410 0.081448 228 C pz 3470 0.081343 232 C pz Vector 491 Occ=2.000000D+00 E=-4.874816D-01 MO Center= 2.0D-01, -3.4D-01, 1.1D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 544 0.065415 37 C py 1145 -0.064802 77 C pz Vector 492 Occ=2.000000D+00 E=-4.873360D-01 MO Center= -1.0D-01, 3.9D-01, 9.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 170 0.064912 12 C pz 1519 0.064793 102 C py 290 -0.063935 20 C pz 1504 0.063000 101 C py 154 0.061697 11 C py 1593 0.060115 107 C px 273 0.058514 19 C px Vector 493 Occ=2.000000D+00 E=-4.864426D-01 MO Center= -1.1D-02, 1.9D-01, -5.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3573 0.075307 239 C px 3318 -0.072871 222 C px 1985 0.071332 133 C pz 2420 -0.071026 162 C pz 2405 -0.070018 161 C pz 3424 -0.070007 229 C py 2000 0.069569 134 C pz Vector 494 Occ=2.000000D+00 E=-4.849844D-01 MO Center= -1.7D-01, 9.2D-02, -3.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2105 0.085351 141 C pz Vector 495 Occ=2.000000D+00 E=-4.846639D-01 MO Center= -2.5D-02, -1.1D-01, 1.3D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1040 0.079030 70 C pz Vector 496 Occ=2.000000D+00 E=-4.837909D-01 MO Center= -1.0D-01, 1.2D-01, 7.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1730 -0.080932 116 C pz 1670 -0.080314 112 C pz 1550 0.078652 104 C pz Vector 497 Occ=2.000000D+00 E=-4.837438D-01 MO Center= 2.5D-01, -3.1D-01, 6.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1640 0.096399 110 C pz 1580 0.091629 106 C pz Vector 498 Occ=2.000000D+00 E=-4.831431D-01 MO Center= -1.0D-02, 4.6D-01, 6.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 499 0.088947 34 C py Vector 499 Occ=2.000000D+00 E=-4.825515D-01 MO Center= 3.6D-01, 1.5D-01, 3.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3529 0.087263 236 C py 3588 -0.080126 240 C px Vector 500 Occ=2.000000D+00 E=-4.819561D-01 MO Center= -1.5D-02, -1.2D-01, 7.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 214 0.101868 15 C py 559 -0.098670 38 C py Vector 501 Occ=2.000000D+00 E=-4.817809D-01 MO Center= -5.4D-01, 6.8D-01, 5.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 50 -0.086262 4 C pz 35 0.083270 3 C pz 844 -0.078082 57 C py Vector 502 Occ=2.000000D+00 E=-4.814352D-01 MO Center= -8.8D-02, -4.4D-01, 8.0D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 588 0.077396 40 C px 513 0.075494 35 C px Vector 503 Occ=2.000000D+00 E=-4.811555D-01 MO Center= -3.3D-03, 9.9D-03, -1.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3018 0.078460 202 C px 2988 -0.077329 200 C px 1445 -0.070952 97 C pz Vector 504 Occ=2.000000D+00 E=-4.809637D-01 MO Center= 3.3D-01, 6.8D-02, 4.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 589 0.079718 40 C py 2253 -0.077434 151 C px 3438 0.072494 230 C px 244 0.072023 17 C py Vector 505 Occ=2.000000D+00 E=-4.807710D-01 MO Center= 5.4D-01, 5.3D-01, 5.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 303 0.092202 21 C px Vector 506 Occ=2.000000D+00 E=-4.801354D-01 MO Center= 7.7D-02, 2.0D-01, 6.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1308 -0.075214 88 C px 1204 -0.073880 81 C py 635 0.072786 43 C pz 1293 0.071885 87 C px 1009 0.068863 68 C py 1775 -0.068023 119 C pz 2299 0.068177 154 C py Vector 507 Occ=2.000000D+00 E=-4.799039D-01 MO Center= 1.6D-01, -5.2D-01, 9.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1234 0.088086 83 C py 904 0.087472 61 C py 1263 -0.083810 85 C px Vector 508 Occ=2.000000D+00 E=-4.797353D-01 MO Center= 7.7D-01, -4.4D-01, 1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1339 0.073657 90 C py 1413 -0.067571 95 C px Vector 509 Occ=2.000000D+00 E=-4.793788D-01 MO Center= -4.9D-01, -2.0D-01, 3.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2329 -0.078115 156 C py 770 0.075105 52 C pz 1128 -0.072215 76 C px Vector 510 Occ=2.000000D+00 E=-4.791921D-01 MO Center= -2.2D-01, -1.7D-01, 5.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1053 0.117580 71 C px 1368 -0.115044 92 C px Vector 511 Occ=2.000000D+00 E=-4.787881D-01 MO Center= -4.1D-01, 5.3D-01, 4.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1548 0.087472 104 C px 1578 -0.083377 106 C px Vector 512 Occ=2.000000D+00 E=-4.783811D-01 MO Center= -2.2D-01, -2.1D-03, -2.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 769 -0.108903 52 C py 439 0.107185 30 C py Vector 513 Occ=2.000000D+00 E=-4.782520D-01 MO Center= 5.1D-01, 2.9D-01, 2.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 633 0.080946 43 C px 2165 0.073087 145 C pz Vector 514 Occ=2.000000D+00 E=-4.779349D-01 MO Center= -2.5D-01, -7.9D-02, 2.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1728 0.074658 116 C px 2704 0.072943 181 C py 799 0.071326 54 C py 1759 0.069461 118 C py Vector 515 Occ=2.000000D+00 E=-4.746024D-01 MO Center= 2.6D-01, -2.4D-01, 1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3153 0.105108 211 C px 3094 0.097736 207 C py 1009 0.096726 68 C py Vector 516 Occ=2.000000D+00 E=-4.739499D-01 MO Center= 7.6D-02, -4.0D-01, -2.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 65 0.084828 5 C pz Vector 517 Occ=2.000000D+00 E=-4.737143D-01 MO Center= 6.7D-02, -1.5D-02, -1.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2166 -0.070692 145 C s 228 0.069669 16 C px 636 -0.067541 43 C s 3066 0.065896 205 C s 3381 -0.065651 226 C s 771 -0.065019 52 C s 1355 0.064810 91 C pz 2418 0.064714 162 C px 516 -0.064106 35 C s 1085 -0.064261 73 C pz Vector 518 Occ=2.000000D+00 E=-4.731449D-01 MO Center= -6.1D-03, 3.7D-01, -5.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1475 -0.084776 99 C pz 3588 0.083176 240 C px 1400 0.081490 94 C pz 3348 -0.081743 224 C px Vector 519 Occ=2.000000D+00 E=-4.731045D-01 MO Center= -1.2D-01, 1.0D-01, -3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3468 0.068848 232 C px 2403 -0.062104 161 C px Vector 520 Occ=2.000000D+00 E=-4.727990D-01 MO Center= -4.9D-02, -7.2D-02, -3.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3364 0.079714 225 C py 3379 -0.075419 226 C py Vector 521 Occ=2.000000D+00 E=-4.710526D-01 MO Center= -1.9D-01, 2.2D-01, 3.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 290 -0.065324 20 C pz 483 0.063635 33 C px 2345 -0.062856 157 C pz 184 0.060878 13 C py 258 0.059058 18 C px 379 0.058936 26 C py Vector 522 Occ=2.000000D+00 E=-4.708512D-01 MO Center= 3.6D-01, -2.2D-01, -6.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2299 -0.083934 154 C py 3484 -0.083328 233 C py 2104 0.076613 141 C py Vector 523 Occ=2.000000D+00 E=-4.703603D-01 MO Center= -6.2D-03, -1.9D-01, -5.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2928 0.091767 196 C px Vector 524 Occ=2.000000D+00 E=-4.698637D-01 MO Center= 4.3D-01, 6.2D-01, -1.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2793 0.070916 187 C px 2809 0.065057 188 C py Vector 525 Occ=2.000000D+00 E=-4.693649D-01 MO Center= -1.5D-01, -2.7D-01, -8.8D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1490 0.073719 100 C pz 1338 0.071473 90 C px Vector 526 Occ=2.000000D+00 E=-4.689273D-01 MO Center= -4.0D-01, -1.4D-01, 2.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1788 0.074078 120 C px 185 0.070555 13 C pz 1415 0.068749 95 C pz 2779 -0.067871 186 C py Vector 527 Occ=2.000000D+00 E=-4.685553D-01 MO Center= -1.4D-01, -1.2D-01, 4.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 994 0.093399 67 C py Vector 528 Occ=2.000000D+00 E=-4.681475D-01 MO Center= -4.6D-01, 1.6D-01, -1.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2913 -0.077083 195 C px 2898 0.075368 194 C px 1594 0.072086 107 C py 1879 0.071150 126 C py 2074 0.071278 139 C py 1683 -0.070609 113 C px Vector 529 Occ=2.000000D+00 E=-4.620043D-01 MO Center= 6.6D-02, -7.0D-02, 3.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3290 0.066787 220 C pz 1250 0.064771 84 C pz 1280 0.064542 86 C pz 1834 0.064731 123 C py 1819 0.063148 122 C py 3275 0.060242 219 C pz Vector 530 Occ=2.000000D+00 E=-4.617923D-01 MO Center= 4.0D-02, 3.5D-01, 7.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1549 0.079845 104 C py 1054 0.079434 71 C py 1369 0.079358 92 C py 1579 0.079346 106 C py Vector 531 Occ=2.000000D+00 E=-4.612724D-01 MO Center= -1.1D-01, -1.5D-01, 7.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 634 -0.065884 43 C py 245 0.064957 17 C pz 139 0.061652 10 C py 933 0.061316 63 C px 1729 -0.060482 116 C py 200 0.059573 14 C pz Vector 532 Occ=2.000000D+00 E=-4.606696D-01 MO Center= 2.7D-01, 3.7D-02, 6.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1938 0.065155 130 C px 1923 0.063680 129 C px 1008 -0.063155 68 C px 1908 0.062501 128 C px 830 -0.059643 56 C pz Vector 533 Occ=2.000000D+00 E=-4.603313D-01 MO Center= 3.0D-01, -3.4D-01, -4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3393 0.076202 227 C px 2945 -0.071173 197 C pz 2375 0.070587 159 C pz Vector 534 Occ=2.000000D+00 E=-4.600827D-01 MO Center= -4.7D-02, 2.8D-01, -2.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 529 0.080549 36 C py 858 0.072529 58 C px Vector 535 Occ=2.000000D+00 E=-4.595124D-01 MO Center= 3.8D-01, -1.6D-01, 1.4D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 678 -0.078602 46 C px 543 0.077790 37 C px 708 0.072576 48 C px 2704 0.072136 181 C py Vector 536 Occ=2.000000D+00 E=-4.591537D-01 MO Center= 8.8D-02, 3.6D-01, 3.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1580 0.067642 106 C pz 844 0.066995 57 C py 1713 0.066293 115 C px 1460 0.065803 98 C pz 1070 0.063602 72 C pz 1760 0.063010 118 C pz 1083 0.062590 73 C px 1474 0.062243 99 C py 1624 -0.062069 109 C py 2300 0.062054 154 C pz Vector 537 Occ=2.000000D+00 E=-4.582608D-01 MO Center= -2.8D-01, -4.1D-01, -7.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3498 0.087318 234 C px 3454 0.084927 231 C py 2253 0.080543 151 C px 3199 0.079805 214 C py Vector 538 Occ=2.000000D+00 E=-4.579455D-01 MO Center= -4.8D-01, 3.4D-01, -5.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3079 0.080442 206 C py 3573 0.076381 239 C px 498 -0.072908 34 C px 2060 0.072634 138 C pz Vector 539 Occ=2.000000D+00 E=-4.565425D-01 MO Center= -4.8D-02, 6.5D-01, 1.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 769 -0.082019 52 C py 439 0.074670 30 C py 1550 0.074274 104 C pz Vector 540 Occ=2.000000D+00 E=-4.556789D-01 MO Center= 4.2D-01, -8.1D-01, -1.8D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2568 0.086539 172 C px 934 0.078854 63 C py 2540 -0.077942 170 C pz 3259 -0.078108 218 C py Vector 541 Occ=2.000000D+00 E=-4.551578D-01 MO Center= 7.7D-02, -8.6D-02, -1.6D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3094 -0.078269 207 C py 3198 0.075757 214 C px 2254 0.074859 151 C py 2988 -0.073792 200 C px 3018 0.073124 202 C px 2240 0.071085 150 C pz Vector 542 Occ=2.000000D+00 E=-4.515244D-01 MO Center= 5.2D-01, -3.1D-01, -1.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1340 -0.073344 90 C pz 2840 -0.073125 190 C pz 1324 0.069629 89 C py 665 0.069115 45 C pz Vector 543 Occ=2.000000D+00 E=-4.513351D-01 MO Center= -1.1D-01, 4.6D-01, -4.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3470 -0.067302 232 C pz 545 0.066186 37 C pz 3410 -0.065249 228 C pz 530 0.064644 36 C pz Vector 544 Occ=2.000000D+00 E=-4.510066D-01 MO Center= 4.2D-02, 1.0D-01, -2.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1129 0.091417 76 C py Vector 545 Occ=2.000000D+00 E=-4.508209D-01 MO Center= -1.5D-01, -2.6D-01, -4.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1278 0.078003 86 C px 1715 -0.073990 115 C pz Vector 546 Occ=2.000000D+00 E=-4.502270D-01 MO Center= -4.2D-01, -3.1D-01, -3.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1744 -0.075022 117 C py 1713 0.071001 115 C px Vector 547 Occ=2.000000D+00 E=-4.499106D-01 MO Center= -4.1D-01, -9.2D-03, -2.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 35 0.074736 3 C pz Vector 548 Occ=2.000000D+00 E=-4.495437D-01 MO Center= -3.3D-02, 2.9D-02, -4.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2299 -0.080105 154 C py 2104 0.077919 141 C py Vector 549 Occ=2.000000D+00 E=-4.492206D-01 MO Center= 1.3D-02, 6.0D-03, -3.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2193 0.071262 147 C px 2823 -0.070022 189 C px Vector 550 Occ=2.000000D+00 E=-4.484988D-01 MO Center= -1.1D-01, -1.5D-01, -5.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3034 0.067189 203 C py 1758 0.065122 118 C px 3214 -0.065197 215 C py 1729 0.062943 116 C py 2164 0.062125 145 C py 2885 -0.062359 193 C pz 3094 0.061558 207 C py Vector 551 Occ=2.000000D+00 E=-4.482113D-01 MO Center= -2.8D-02, 1.9D-01, -4.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1578 0.065836 106 C px 3093 0.059694 207 C px Vector 552 Occ=2.000000D+00 E=-4.478992D-01 MO Center= -2.9D-01, 9.1D-03, -3.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2315 -0.072342 155 C pz 785 0.065780 53 C pz Vector 553 Occ=2.000000D+00 E=-4.431336D-01 MO Center= 1.0D-02, 3.9D-02, -4.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3365 -0.068811 225 C pz 2718 -0.063989 182 C px 560 0.063241 38 C pz Vector 554 Occ=2.000000D+00 E=-4.429678D-01 MO Center= -4.0D-02, -5.4D-02, -4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1758 0.069733 118 C px 634 -0.068958 43 C py 1729 0.067295 116 C py 3305 0.066008 221 C pz 3425 -0.063767 229 C pz 333 -0.062853 23 C px Vector 555 Occ=2.000000D+00 E=-4.420565D-01 MO Center= 1.9D-01, 1.6D-02, -7.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3138 0.062991 210 C px 935 -0.058677 63 C pz 335 0.057612 23 C pz 3229 -0.057267 216 C py 1324 -0.056816 89 C py 2253 0.056913 151 C px 3078 -0.056923 206 C px Vector 556 Occ=2.000000D+00 E=-4.418306D-01 MO Center= -1.5D-01, -3.2D-01, -8.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3258 0.073774 218 C px Vector 557 Occ=2.000000D+00 E=-4.385404D-01 MO Center= 1.3D-01, -2.3D-01, 1.7D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 499 0.083898 34 C py 1114 0.079689 75 C py 1310 -0.079954 88 C pz 814 0.077991 55 C py Vector 558 Occ=2.000000D+00 E=-4.382890D-01 MO Center= 2.2D-01, 4.0D-02, 1.8D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1173 0.085291 79 C px 393 0.077173 27 C px Vector 559 Occ=2.000000D+00 E=-4.370941D-01 MO Center= 2.1D-01, -1.4D-01, -1.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2525 0.077742 169 C pz Vector 560 Occ=2.000000D+00 E=-4.369149D-01 MO Center= -8.4D-02, 2.8D-01, 8.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2945 0.065113 197 C pz 1070 -0.063988 72 C pz 228 0.062869 16 C px 2285 -0.062834 153 C pz 93 0.061430 7 C px 2315 -0.061654 155 C pz 935 0.061040 63 C pz 2510 0.060985 168 C pz 3438 -0.059919 230 C px Vector 561 Occ=2.000000D+00 E=-4.363181D-01 MO Center= -3.9D-01, 4.5D-01, 4.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2359 -0.072759 158 C py 123 0.071549 9 C px 138 -0.069775 10 C px 2988 -0.067589 200 C px 3018 0.067307 202 C px Vector 562 Occ=2.000000D+00 E=-4.348513D-01 MO Center= -3.3D-02, 5.3D-03, 9.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 799 0.078017 54 C py 514 -0.073757 35 C py 228 0.070237 16 C px Vector 563 Occ=2.000000D+00 E=-4.343832D-01 MO Center= 1.2D-01, -1.1D-01, 9.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1219 0.093370 82 C py 1293 -0.085943 87 C px Vector 564 Occ=2.000000D+00 E=-4.335569D-01 MO Center= 1.3D-01, 2.4D-01, 5.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1939 0.090220 130 C py Vector 565 Occ=2.000000D+00 E=-4.334044D-01 MO Center= 6.8D-03, 2.9D-01, 3.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1578 -0.082176 106 C px 1548 0.078694 104 C px Vector 566 Occ=2.000000D+00 E=-4.308490D-01 MO Center= -3.4D-01, 2.1D-01, -1.2D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1505 -0.093998 101 C pz 1955 -0.093184 131 C pz 529 0.090890 36 C py 694 0.090854 47 C py 1535 0.087709 103 C pz 1685 0.088128 113 C pz Vector 567 Occ=2.000000D+00 E=-4.304883D-01 MO Center= -6.0D-03, 1.1D-01, 3.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 874 0.098848 59 C py Vector 568 Occ=2.000000D+00 E=-4.294238D-01 MO Center= 2.9D-01, -1.8D-01, -2.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 528 0.114725 36 C px Vector 569 Occ=2.000000D+00 E=-4.283840D-01 MO Center= -2.0D-01, -2.4D-01, 3.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1159 0.107475 78 C py Vector 570 Occ=2.000000D+00 E=-4.279660D-01 MO Center= 8.2D-02, 3.7D-01, 6.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 378 0.100619 26 C px 183 0.091587 13 C px 543 -0.091710 37 C px Vector 571 Occ=2.000000D+00 E=-4.277310D-01 MO Center= 5.1D-01, -4.2D-01, -3.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 693 0.080900 47 C px 859 0.080112 58 C py 873 -0.079404 59 C px 1413 -0.079510 95 C px 3123 -0.077397 209 C px 1353 0.072937 91 C px 3093 0.072843 207 C px Vector 572 Occ=2.000000D+00 E=-4.275724D-01 MO Center= 3.5D-01, -7.4D-02, 5.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 979 0.090930 66 C py 694 -0.082899 47 C py Vector 573 Occ=2.000000D+00 E=-4.271678D-01 MO Center= -2.3D-01, -8.7D-02, 2.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 545 0.077284 37 C pz 1023 -0.072210 69 C px Vector 574 Occ=2.000000D+00 E=-4.262858D-01 MO Center= -2.8D-01, -1.4D-01, -1.7D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3408 0.092962 228 C px 2420 -0.086367 162 C pz 3589 -0.086312 240 C py 2375 0.084704 159 C pz Vector 575 Occ=2.000000D+00 E=-4.259075D-01 MO Center= 1.5D-01, -2.9D-01, -2.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2450 0.097356 164 C pz Vector 576 Occ=2.000000D+00 E=-4.255163D-01 MO Center= 9.3D-02, -8.8D-03, -4.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2600 -0.083503 174 C pz 2135 -0.081347 143 C pz 1955 0.078689 131 C pz 3093 0.077350 207 C px Vector 577 Occ=2.000000D+00 E=-4.251006D-01 MO Center= 2.2D-01, 3.8D-01, -9.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2870 0.121657 192 C pz Vector 578 Occ=2.000000D+00 E=-4.245065D-01 MO Center= 1.6D-01, -1.5D-01, -8.6D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2465 0.083229 165 C pz Vector 579 Occ=2.000000D+00 E=-4.238165D-01 MO Center= 1.5D-02, -2.9D-01, -8.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2659 -0.100229 178 C py 2060 0.092763 138 C pz Vector 580 Occ=2.000000D+00 E=-4.233291D-01 MO Center= -4.9D-02, 2.1D-01, -7.6D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2869 0.087410 192 C py 2150 0.081138 144 C pz Vector 581 Occ=2.000000D+00 E=-4.215219D-01 MO Center= -2.7D-02, 1.2D+00, -8.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3468 0.118733 232 C px Vector 582 Occ=2.000000D+00 E=-4.201211D-01 MO Center= 3.6D-01, -1.3D+00, -1.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3348 0.095771 224 C px 3588 -0.093577 240 C px 1700 -0.088990 114 C pz 1775 -0.088220 119 C pz 1790 0.086613 120 C pz 3529 0.086797 236 C py Vector 583 Occ=2.000000D+00 E=-4.189835D-01 MO Center= 8.8D-01, 3.0D-01, 1.8D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 994 0.104594 67 C py Vector 584 Occ=2.000000D+00 E=-4.182137D-01 MO Center= -7.9D-01, 5.7D-02, -6.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2119 -0.088468 142 C py 484 0.088003 33 C py 1503 -0.085876 101 C px 1518 0.086163 102 C px 979 0.081344 66 C py Vector 585 Occ=2.000000D+00 E=-4.175912D-01 MO Center= -5.2D-01, 3.1D-02, -1.6D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2013 0.099286 135 C px 2973 -0.093631 199 C px 1879 0.092695 126 C py 2958 -0.090642 198 C px Vector 586 Occ=2.000000D+00 E=-4.163323D-01 MO Center= -1.5D+00, 8.7D-02, -8.3D-02, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1160 -0.072207 78 C pz 2285 -0.072442 153 C pz 1143 0.069900 77 C px 2090 -0.069794 140 C pz 2315 -0.070003 155 C pz 1700 0.068207 114 C pz Vector 587 Occ=2.000000D+00 E=-4.159101D-01 MO Center= 4.0D-01, 6.2D-01, -5.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1503 0.076255 101 C px 1518 -0.073023 102 C px Vector 588 Occ=2.000000D+00 E=-4.157061D-01 MO Center= 1.5D-01, -4.3D-01, -8.3D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 933 0.066196 63 C px 2179 0.065696 146 C py 94 0.062122 7 C py 2373 -0.061661 159 C px 334 0.061169 23 C py 2388 0.059680 160 C px Vector 589 Occ=2.000000D+00 E=-4.153794D-01 MO Center= 2.2D-01, -6.3D-01, 1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1474 0.075838 99 C py 1083 -0.074450 73 C px 1398 0.071716 94 C px Vector 590 Occ=2.000000D+00 E=-4.151353D-01 MO Center= 7.6D-02, 6.9D-01, 2.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 64 0.081436 5 C py 123 -0.076321 9 C px Vector 591 Occ=2.000000D+00 E=-4.136299D-01 MO Center= -1.9D-01, 1.5D-01, -7.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3560 0.068489 238 C pz 3320 -0.065745 222 C pz 3260 0.063449 218 C pz Vector 592 Occ=2.000000D+00 E=-4.134570D-01 MO Center= 3.2D-01, -2.7D-01, -7.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3440 0.074682 230 C pz Vector 593 Occ=2.000000D+00 E=-4.111773D-01 MO Center= 8.1D-01, -7.6D-01, -1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2568 -0.087385 172 C px 1788 0.085756 120 C px 1879 -0.085092 126 C py Vector 594 Occ=2.000000D+00 E=-4.103363D-01 MO Center= -4.6D-01, 1.9D-01, -6.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1594 0.085249 107 C py Vector 595 Occ=2.000000D+00 E=-4.089628D-01 MO Center= -3.2D-02, -2.6D-02, -1.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2238 -0.066215 150 C px 2735 0.064808 183 C pz 1940 -0.064329 130 C pz 350 0.062312 24 C pz 2930 -0.061412 196 C pz 365 -0.060299 25 C pz 1249 0.060336 84 C py 455 0.059886 31 C pz 875 -0.059766 59 C pz 1550 0.059896 104 C pz Vector 596 Occ=2.000000D+00 E=-4.085965D-01 MO Center= 6.6D-02, 1.2D-01, -1.0D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2090 0.067798 140 C pz 1580 -0.064090 106 C pz 2300 -0.064262 154 C pz 695 0.062892 47 C pz 950 -0.062178 64 C pz 679 -0.061537 46 C py 2945 0.061347 197 C pz 3500 -0.061045 234 C pz Vector 597 Occ=2.000000D+00 E=-4.084292D-01 MO Center= -3.2D-02, -3.0D-01, -1.5D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2149 0.096846 144 C py Vector 598 Occ=2.000000D+00 E=-4.075806D-01 MO Center= -1.4D-01, -1.2D-01, -1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3319 -0.066501 222 C py 3364 0.066688 225 C py 3484 -0.066182 233 C py 3004 0.065780 201 C py 3378 -0.063783 226 C px 3439 0.063990 230 C py Vector 599 Occ=2.000000D+00 E=-4.068281D-01 MO Center= 2.7D-02, 1.1D-01, -6.9D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2058 0.061274 138 C px 2884 -0.058480 193 C py 199 0.058149 14 C py 1668 -0.057037 112 C px 2464 0.057116 165 C py 1504 -0.055925 101 C py Vector 600 Occ=2.000000D+00 E=-4.060036D-01 MO Center= -3.2D-01, 1.2D-01, 1.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2269 -0.072841 152 C py 1130 0.071335 76 C pz 3214 -0.066203 215 C py Vector 601 Occ=2.000000D+00 E=-4.056189D-01 MO Center= -1.2D-01, -3.5D-01, 3.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1010 -0.067457 68 C pz 798 0.066716 54 C px 1203 -0.066996 81 C px 1113 0.065476 75 C px 2493 0.063923 167 C px 3228 -0.062952 216 C px 514 -0.060767 35 C py Vector 602 Occ=2.000000D+00 E=-4.041941D-01 MO Center= 1.1D-01, -1.4D-01, 5.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 288 0.085073 20 C px 993 -0.080642 67 C px Vector 603 Occ=2.000000D+00 E=-4.035037D-01 MO Center= -6.9D-02, -4.0D-02, -2.8D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1159 0.088358 78 C py 1700 -0.080822 114 C pz Vector 604 Occ=2.000000D+00 E=-4.021346D-01 MO Center= 1.3D-01, 1.5D-01, -1.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2075 0.087987 139 C pz 603 0.080691 41 C px 1865 0.080959 125 C pz Vector 605 Occ=2.000000D+00 E=-3.971545D-01 MO Center= -3.1D-01, 1.8D-02, 6.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 528 0.092264 36 C px 544 -0.091771 37 C py 1953 0.088010 131 C px 1788 0.084926 120 C px Vector 606 Occ=2.000000D+00 E=-3.965808D-01 MO Center= 1.5D-01, 1.1D-01, 6.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1338 0.094347 90 C px 168 0.089899 12 C px 1490 0.087403 100 C pz 2043 0.085288 137 C px Vector 607 Occ=2.000000D+00 E=-3.952040D-01 MO Center= 5.7D-02, -2.2D-01, 7.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1025 -0.090840 69 C pz 994 0.086100 67 C py Vector 608 Occ=2.000000D+00 E=-3.950022D-01 MO Center= -2.0D-01, 4.2D-01, 2.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 873 -0.095037 59 C px 693 0.087610 47 C px Vector 609 Occ=2.000000D+00 E=-3.896234D-01 MO Center= -2.0D-01, 7.5D-02, -3.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2328 0.060128 156 C px 2688 -0.056686 180 C px 2899 -0.055000 194 C py 3213 -0.054325 215 C px Vector 610 Occ=2.000000D+00 E=-3.886176D-01 MO Center= 6.6D-02, 1.6D-01, -6.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 49 0.067413 4 C py 1384 -0.065578 93 C py 2374 0.065460 159 C py 2989 -0.065063 200 C py 1834 -0.063649 123 C py Vector 611 Occ=2.000000D+00 E=-3.881323D-01 MO Center= 8.7D-02, -2.4D-01, -7.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 349 0.068621 24 C py 1714 -0.064080 115 C py 1069 -0.063382 72 C py Vector 612 Occ=2.000000D+00 E=-3.877692D-01 MO Center= -1.8D-01, 1.2D-01, -6.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3275 0.070230 219 C pz 783 -0.064887 53 C px 3545 0.064631 237 C pz Vector 613 Occ=2.000000D+00 E=-3.876973D-01 MO Center= 4.4D-01, -1.3D-01, -6.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1623 -0.068755 109 C px 948 0.066870 64 C px 1638 -0.064977 110 C px Vector 614 Occ=2.000000D+00 E=-3.849119D-01 MO Center= 7.4D-01, 2.0D-01, 7.5D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1925 0.083829 129 C pz 1940 -0.079090 130 C pz Vector 615 Occ=2.000000D+00 E=-3.841941D-01 MO Center= -4.7D-01, 1.6D-01, -3.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1670 0.090791 112 C pz 1655 -0.082958 111 C pz Vector 616 Occ=2.000000D+00 E=-3.831306D-01 MO Center= -6.1D-02, -3.7D-02, 1.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3545 -0.074477 237 C pz 155 0.071585 11 C pz 275 0.070975 19 C pz 875 0.071220 59 C pz 1325 -0.070077 89 C pz Vector 617 Occ=2.000000D+00 E=-3.828478D-01 MO Center= -8.0D-02, 1.1D-01, -2.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2148 -0.066064 144 C px 3275 -0.065534 219 C pz 1325 0.064758 89 C pz 2795 0.063445 187 C pz 590 0.061723 40 C pz Vector 618 Occ=2.000000D+00 E=-3.826006D-01 MO Center= -6.2D-02, -2.4D-01, 3.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 289 0.074997 20 C py 620 0.071767 42 C pz 1595 0.070034 107 C pz 425 0.069616 29 C pz 2180 -0.069815 146 C pz 2463 -0.067936 165 C px Vector 619 Occ=2.000000D+00 E=-3.818517D-01 MO Center= 2.1D-01, 3.5D-03, 3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 845 0.075685 57 C pz Vector 620 Occ=2.000000D+00 E=-3.815556D-01 MO Center= 4.6D-01, -3.4D-01, 7.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 874 0.097070 59 C py Vector 621 Occ=2.000000D+00 E=-3.813834D-01 MO Center= 8.0D-01, -5.7D-01, 8.4D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 843 0.090753 57 C px Vector 622 Occ=2.000000D+00 E=-3.805625D-01 MO Center= -8.8D-01, -1.7D-01, 5.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2149 -0.071281 144 C py 755 0.068685 51 C pz 2329 -0.067905 156 C py Vector 623 Occ=2.000000D+00 E=-3.801801D-01 MO Center= -2.5D-01, 3.1D-01, 5.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1743 0.068202 117 C px 784 0.067286 53 C py 543 0.066574 37 C px 183 0.065005 13 C px 558 -0.063911 38 C px 65 0.063116 5 C pz Vector 624 Occ=2.000000D+00 E=-3.796221D-01 MO Center= -2.4D-01, 8.0D-02, -2.5D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2763 0.073104 185 C px 2733 -0.071444 183 C px 740 0.070635 50 C pz 753 -0.069148 51 C px Vector 625 Occ=2.000000D+00 E=-3.792084D-01 MO Center= -1.9D-01, 1.2D-01, 3.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1399 0.073078 94 C py 1549 -0.072482 104 C py 1668 0.069843 112 C px 1579 -0.068413 106 C py 1849 -0.067317 124 C py Vector 626 Occ=2.000000D+00 E=-3.787516D-01 MO Center= -1.4D-01, 3.2D-01, 1.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1938 -0.084040 130 C px 798 0.079448 54 C px Vector 627 Occ=2.000000D+00 E=-3.784410D-01 MO Center= -7.2D-02, 2.2D-01, -3.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2718 0.079472 182 C px Vector 628 Occ=2.000000D+00 E=-3.783311D-01 MO Center= 2.3D-01, -3.7D-01, -3.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1864 0.063508 125 C py 394 0.062328 27 C py 2194 0.057951 147 C py 3230 0.057951 216 C pz 1773 -0.057629 119 C px Vector 629 Occ=2.000000D+00 E=-3.769917D-01 MO Center= -4.9D-01, 3.4D-01, -8.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1953 0.089434 131 C px Vector 630 Occ=2.000000D+00 E=-3.759974D-01 MO Center= -1.7D-01, -5.6D-01, -1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2059 0.095918 138 C py 2120 0.090953 142 C pz 2599 0.090529 174 C py 2074 -0.087195 139 C py Vector 631 Occ=2.000000D+00 E=-3.754536D-01 MO Center= 2.1D-01, 4.7D-01, -8.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2808 0.096432 188 C px Vector 632 Occ=2.000000D+00 E=-3.667504D-01 MO Center= -9.5D-01, 8.0D-01, 1.4D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 769 0.088915 52 C py 454 0.083478 31 C py Vector 633 Occ=2.000000D+00 E=-3.663899D-01 MO Center= 1.7D+00, 2.4D-01, 9.9D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1460 0.091729 98 C pz 965 0.090893 65 C pz 2630 0.083359 176 C pz Vector 634 Occ=2.000000D+00 E=-3.660108D-01 MO Center= 1.3D+00, -2.9D-02, -6.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 650 0.079296 44 C pz 2840 0.077730 190 C pz 934 -0.076743 63 C py 665 -0.076246 45 C pz 365 0.074823 25 C pz 979 -0.072829 66 C py Vector 635 Occ=2.000000D+00 E=-3.652359D-01 MO Center= -6.7D-01, -9.0D-01, 6.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1085 0.079563 73 C pz 2375 0.076676 159 C pz 1385 0.076211 93 C pz 2405 0.076366 161 C pz 1683 0.072703 113 C px Vector 636 Occ=2.000000D+00 E=-3.636280D-01 MO Center= -1.4D+00, -1.8D-01, -4.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3439 -0.081867 230 C py 3469 -0.077442 232 C py 3124 0.076580 209 C py Vector 637 Occ=2.000000D+00 E=-3.624628D-01 MO Center= 7.4D-01, 1.9D-01, -1.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3319 0.074000 222 C py 2689 0.067300 180 C py Vector 638 Occ=2.000000D+00 E=-3.608280D-01 MO Center= -1.4D-02, 3.3D-01, -2.3D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2119 0.101959 142 C py Vector 639 Occ=2.000000D+00 E=-3.601616D-01 MO Center= -1.3D-01, -9.3D-01, -2.0D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2478 0.093034 166 C px 2448 0.089738 164 C px Vector 640 Occ=2.000000D+00 E=-3.595198D-01 MO Center= -3.6D-03, 8.3D-03, 5.4D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2465 0.061707 165 C pz 2045 0.060490 137 C pz 530 0.060048 36 C pz 545 0.060264 37 C pz 2675 0.057153 179 C pz 170 0.056693 12 C pz 1340 0.056801 90 C pz 2150 0.056588 144 C pz Vector 641 Occ=2.000000D+00 E=-3.589102D-01 MO Center= 1.8D-02, -6.9D-02, -5.2D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 875 0.071419 59 C pz 2583 0.070003 173 C px 2389 -0.067935 160 C py 3590 0.066061 240 C pz Vector 642 Occ=2.000000D+00 E=-3.583743D-01 MO Center= -5.3D-02, 6.8D-02, -1.0D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2374 0.078640 159 C py Vector 643 Occ=2.000000D+00 E=-3.529637D-01 MO Center= -5.4D-01, -1.1D-01, 1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 709 0.064749 48 C py 528 0.061955 36 C px 828 -0.060845 56 C px 274 -0.060197 19 C py 1623 0.060251 109 C px 514 -0.059872 35 C py 499 0.059101 34 C py 1114 -0.058667 75 C py Vector 644 Occ=2.000000D+00 E=-3.518570D-01 MO Center= -1.4D-01, 1.6D-01, 2.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1579 0.069017 106 C py 3515 -0.065896 235 C pz 1849 -0.065292 124 C py 1084 0.063883 73 C py 1220 -0.062812 82 C pz 230 -0.062410 16 C pz 1638 -0.062702 110 C px Vector 645 Occ=2.000000D+00 E=-3.515989D-01 MO Center= -1.9D-01, 2.2D-01, 2.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2899 -0.078931 194 C py 453 0.075360 31 C px 830 -0.075318 56 C pz 1295 -0.072853 87 C pz Vector 646 Occ=2.000000D+00 E=-3.512154D-01 MO Center= -1.7D-01, -6.3D-03, -7.3D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1384 -0.070412 93 C py 34 0.067578 3 C py Vector 647 Occ=2.000000D+00 E=-3.509226D-01 MO Center= 8.6D-01, 7.8D-01, -6.4D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2750 0.081868 184 C pz Vector 648 Occ=2.000000D+00 E=-3.503965D-01 MO Center= 4.4D-01, -4.2D-01, -1.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 575 0.082249 39 C pz 3365 -0.081659 225 C pz 3425 0.081391 229 C pz 560 -0.074307 38 C pz Vector 649 Occ=2.000000D+00 E=-3.495377D-01 MO Center= -4.7D-02, 2.0D-01, -4.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2268 0.065700 152 C px 2914 -0.065046 195 C py 1369 -0.061605 92 C py 319 -0.060997 22 C py 2239 -0.060001 150 C py 64 0.059138 5 C py 2103 -0.059170 141 C px Vector 650 Occ=2.000000D+00 E=-3.487868D-01 MO Center= -2.8D-01, -3.8D-01, -3.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2164 0.075890 145 C py 2419 -0.069816 162 C py Vector 651 Occ=2.000000D+00 E=-3.465956D-01 MO Center= -8.1D-02, 1.8D-02, -1.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2674 -0.069081 179 C py 3064 -0.068033 205 C py 3109 -0.065427 208 C py 20 0.064994 2 C pz 3334 -0.064269 223 C py Vector 652 Occ=2.000000D+00 E=-3.454849D-01 MO Center= -1.9D-01, 9.6D-02, -1.8D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3185 0.078114 213 C pz 2165 -0.072461 145 C pz 2240 -0.071175 150 C pz Vector 653 Occ=2.000000D+00 E=-3.439203D-01 MO Center= 1.2D-02, 8.6D-02, 7.0D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 438 0.067225 30 C px 3004 0.064806 201 C py 933 0.063388 63 C px 1069 -0.061912 72 C py 1115 -0.060991 75 C pz Vector 654 Occ=2.000000D+00 E=-3.438484D-01 MO Center= 3.9D-01, 3.6D-02, 1.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1938 0.085091 130 C px 1399 -0.081202 94 C py 1579 -0.080497 106 C py 1549 -0.078517 104 C py 948 -0.077686 64 C px 1638 -0.076614 110 C px Vector 655 Occ=2.000000D+00 E=-3.433904D-01 MO Center= -2.8D-01, -6.2D-02, 9.4D-03, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 590 0.079396 40 C pz 783 -0.075294 53 C px 1759 0.073348 118 C py Vector 656 Occ=2.000000D+00 E=-3.433401D-01 MO Center= 1.4D-01, -1.7D-01, 2.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1369 0.077911 92 C py 3110 -0.073491 208 C pz 3200 -0.071981 214 C pz Vector 657 Occ=2.000000D+00 E=-3.424981D-01 MO Center= 2.3D-01, -4.5D-01, 7.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1220 0.079146 82 C pz 1295 -0.071981 87 C pz Vector 658 Occ=2.000000D+00 E=-3.400270D-01 MO Center= -1.1D-01, 2.9D-01, 9.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.076193 1 C pz 318 -0.075725 22 C px Vector 659 Occ=2.000000D+00 E=-3.394887D-01 MO Center= -3.4D-01, -3.3D-01, -1.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 723 0.078413 49 C px Vector 660 Occ=2.000000D+00 E=-3.382154D-01 MO Center= -6.7D-02, -2.8D-01, -2.6D+00, r^2= 4.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3438 0.080943 230 C px 3453 0.080644 231 C px 3153 0.080210 211 C px Vector 661 Occ=2.000000D+00 E=-3.371323D-01 MO Center= -7.9D-01, -4.3D-03, -1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3424 0.072429 229 C py 3229 -0.069618 216 C py 3184 -0.067892 213 C py 3200 -0.068164 214 C pz 3214 0.067089 215 C py 558 0.066707 38 C px 2988 -0.066634 200 C px 3018 0.065495 202 C px Vector 662 Occ=2.000000D+00 E=-3.360164D-01 MO Center= -2.0D+00, 2.1D-01, -4.8D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2059 0.089495 138 C py 469 0.088944 32 C py 2299 0.088944 154 C py 2104 -0.087532 141 C py 1639 -0.086454 110 C py 799 -0.084543 54 C py Vector 663 Occ=2.000000D+00 E=-3.340080D-01 MO Center= 7.3D-01, -1.4D+00, -4.8D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2403 0.089478 161 C px 1848 0.088064 124 C px 1083 0.084245 73 C px 2523 -0.083207 169 C px 1383 0.082342 93 C px 2629 -0.081600 176 C py Vector 664 Occ=2.000000D+00 E=-3.327527D-01 MO Center= 1.7D+00, 1.2D+00, -3.3D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1939 0.094620 130 C py 2719 0.091158 182 C py 2704 -0.089823 181 C py 363 0.086770 25 C px 1894 0.087155 127 C py Vector 665 Occ=2.000000D+00 E=-3.222472D-01 MO Center= -2.6D-01, -1.4D-01, -3.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2929 -0.076220 196 C py 1954 0.072477 131 C py Vector 666 Occ=2.000000D+00 E=-3.218205D-01 MO Center= 1.2D-01, 1.6D-01, -2.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2598 0.078468 174 C px Vector 667 Occ=2.000000D+00 E=-3.213073D-01 MO Center= 1.3D-01, 7.3D-02, -9.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1473 0.088778 99 C px Vector 668 Occ=2.000000D+00 E=-3.210530D-01 MO Center= -1.2D-01, 5.6D-02, -2.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 64 0.068970 5 C py 3050 -0.068207 204 C pz 2780 -0.067103 186 C pz 3380 0.065722 226 C pz 1714 -0.063002 115 C py 2944 0.062771 197 C py Vector 669 Occ=2.000000D+00 E=-3.205041D-01 MO Center= 3.7D-03, -1.4D-01, -3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 798 0.081592 54 C px 1908 -0.076921 128 C px 1084 0.076295 73 C py Vector 670 Occ=2.000000D+00 E=-3.103191D-01 MO Center= -6.6D-02, 5.2D-02, -3.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2733 -0.074756 183 C px 2313 0.073142 155 C px 453 0.070286 31 C px 3500 -0.070567 234 C pz 2298 -0.067970 154 C px Vector 671 Occ=2.000000D+00 E=-3.102236D-01 MO Center= 2.0D-01, 1.8D-02, -5.6D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3365 0.097685 225 C pz 3305 -0.094484 221 C pz 560 -0.088612 38 C pz Vector 672 Occ=2.000000D+00 E=-3.098389D-01 MO Center= -2.9D-02, -1.5D-01, -1.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3485 -0.091458 233 C pz 845 0.085102 57 C pz Vector 673 Occ=2.000000D+00 E=-3.092525D-01 MO Center= 2.4D-02, -1.1D-01, -2.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3590 -0.107619 240 C pz 875 0.101934 59 C pz Vector 674 Occ=2.000000D+00 E=-3.084261D-01 MO Center= -7.3D-02, 1.3D-01, -1.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3530 0.096375 236 C pz 3350 -0.095879 224 C pz 695 0.087867 47 C pz Vector 675 Occ=2.000000D+00 E=-3.077992D-01 MO Center= -2.3D-02, 2.3D-01, 2.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1623 0.086102 109 C px 2613 -0.085309 175 C px 1923 0.079853 129 C px 1564 -0.077494 105 C py Vector 676 Occ=2.000000D+00 E=-3.072285D-01 MO Center= -9.7D-02, -1.7D-01, 5.5D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1743 0.112723 117 C px Vector 677 Occ=2.000000D+00 E=-3.069618D-01 MO Center= 4.2D-02, 6.8D-02, 4.1D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1878 0.101337 126 C px 1923 0.097553 129 C px 2103 -0.094584 141 C px Vector 678 Occ=2.000000D+00 E=-3.064468D-01 MO Center= 1.8D-01, -4.2D-02, 1.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2613 -0.087749 175 C px 1623 0.085427 109 C px 2824 0.081976 189 C py 2809 0.080925 188 C py 1369 0.080464 92 C py 1158 0.079883 78 C px 1684 -0.079571 113 C py Vector 679 Occ=2.000000D+00 E=-3.057617D-01 MO Center= -2.4D-02, 4.2D-02, 3.1D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 978 0.094725 66 C px 1863 -0.085779 125 C px Vector 680 Occ=2.000000D+00 E=-3.054813D-01 MO Center= 4.2D-02, 5.0D-02, 3.5D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1039 0.095678 70 C py 1010 -0.086444 68 C pz Vector 681 Occ=2.000000D+00 E=-3.048108D-01 MO Center= -2.9D-02, 3.0D-02, 3.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 619 0.094628 42 C py 275 0.093355 19 C pz 423 0.088116 29 C px Vector 682 Occ=2.000000D+00 E=-2.861435D-01 MO Center= -1.9D-01, 2.2D-01, -4.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3545 0.098550 237 C pz Vector 683 Occ=2.000000D+00 E=-2.855038D-01 MO Center= 1.3D-01, -2.7D-01, -3.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1834 0.102432 123 C py 3425 0.095173 229 C pz Vector 684 Occ=2.000000D+00 E=-2.841979D-01 MO Center= -4.1D-02, -3.0D-02, -2.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3275 0.098519 219 C pz 1325 0.096662 89 C pz 3095 0.089305 207 C pz Vector 685 Occ=2.000000D+00 E=-2.825942D-01 MO Center= 8.0D-02, 3.2D-02, 1.1D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 860 0.075498 58 C pz 1235 -0.075494 83 C pz 1443 -0.068468 97 C px Vector 686 Occ=2.000000D+00 E=-2.813161D-01 MO Center= 2.3D-01, -1.4D-01, 9.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 530 -0.073758 36 C pz 830 0.072621 56 C pz 1205 -0.072566 81 C pz 695 0.072037 47 C pz 1295 -0.072362 87 C pz 215 0.071206 15 C pz 948 -0.068327 64 C px 2733 0.067098 183 C px Vector 687 Occ=2.000000D+00 E=-2.799686D-01 MO Center= -4.5D-01, 2.3D-01, -6.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2283 0.085320 153 C px 2899 -0.081199 194 C py Vector 688 Occ=2.000000D+00 E=-2.792804D-01 MO Center= -1.8D-02, -3.3D-01, 3.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1130 0.105757 76 C pz 3035 0.101052 203 C pz Vector 689 Occ=2.000000D+00 E=-2.791283D-01 MO Center= 4.7D-01, 3.1D-02, -3.0D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3095 0.099975 207 C pz Vector 690 Occ=2.000000D+00 E=-2.784681D-01 MO Center= -2.8D-02, 6.3D-03, -3.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2419 -0.097371 162 C py 3215 0.096967 215 C pz 1564 -0.092283 105 C py 1010 0.090282 68 C pz 1834 -0.089569 123 C py Vector 691 Occ=2.000000D+00 E=-2.773587D-01 MO Center= 1.1D-03, 2.0D-01, -6.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2103 0.113683 141 C px 1923 0.108129 129 C px Vector 692 Occ=2.000000D+00 E=-2.743204D-01 MO Center= 1.8D-02, -1.9D-01, 1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1280 0.094045 86 C pz 1175 -0.087269 79 C pz Vector 693 Occ=2.000000D+00 E=-2.736589D-01 MO Center= 4.4D-01, 9.4D-01, 3.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2929 0.114726 196 C py 2944 -0.108746 197 C py Vector 694 Occ=2.000000D+00 E=-2.731607D-01 MO Center= -2.4D-01, -1.1D-01, 4.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 948 -0.088995 64 C px 1458 0.088158 98 C px 2298 -0.084370 154 C px 500 0.081004 34 C pz Vector 695 Occ=2.000000D+00 E=-2.723754D-01 MO Center= 7.3D-01, 6.0D-01, -3.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1443 -0.095591 97 C px 2268 -0.095521 152 C px 2899 -0.093542 194 C py 963 0.092235 65 C px 1638 0.089870 110 C px Vector 696 Occ=2.000000D+00 E=-2.714485D-01 MO Center= -5.8D-01, -1.0D+00, -2.4D-02, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 438 0.092558 30 C px 798 -0.090966 54 C px 2688 0.085570 180 C px 1908 -0.083867 128 C px Vector 697 Occ=2.000000D+00 E=-2.664704D-01 MO Center= -2.9D-01, 1.4D-01, -3.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3590 0.128139 240 C pz Vector 698 Occ=2.000000D+00 E=-2.657948D-01 MO Center= 1.0D-01, 1.2D-02, -3.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3530 -0.122832 236 C pz 3350 0.121598 224 C pz Vector 699 Occ=2.000000D+00 E=-2.639974D-01 MO Center= 4.0D-02, -2.3D-01, 2.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1024 0.111049 69 C py Vector 700 Occ=2.000000D+00 E=-2.635721D-01 MO Center= -6.0D-01, -1.7D-01, 4.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 453 0.110898 31 C px 2434 0.101913 163 C py Vector 701 Occ=2.000000D+00 E=-2.630925D-01 MO Center= -1.5D-01, 1.6D-01, -1.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 49 0.096596 4 C py 2118 -0.093590 142 C px 2733 0.092069 183 C px Vector 702 Occ=2.000000D+00 E=-2.619578D-01 MO Center= 2.3D-01, -8.3D-02, -9.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 545 0.087471 37 C pz 875 -0.087379 59 C pz 2045 -0.082738 137 C pz 2598 0.081569 174 C px 933 0.081090 63 C px 1473 -0.080019 99 C px Vector 703 Occ=2.000000D+00 E=-2.606694D-01 MO Center= -4.3D-01, 2.7D-01, -1.0D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 695 0.099022 47 C pz 2885 0.093827 193 C pz Vector 704 Occ=2.000000D+00 E=-2.574393D-01 MO Center= 9.7D-02, -4.3D-01, -1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3125 0.077539 209 C pz 1803 -0.074591 121 C px 2103 -0.074733 141 C px 3110 -0.074445 208 C pz 1834 -0.073436 123 C py 2628 0.073428 176 C px 1623 0.071216 109 C px Vector 705 Occ=2.000000D+00 E=-2.561175D-01 MO Center= -9.3D-01, -3.1D-01, -9.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3275 -0.078102 219 C pz 3200 -0.076058 214 C pz 2959 0.073645 198 C py 2298 0.073112 154 C px 3035 0.073111 203 C pz 3545 0.071201 237 C pz 2974 -0.070456 199 C py Vector 706 Occ=2.000000D+00 E=-2.552764D-01 MO Center= 1.2D+00, 9.9D-03, -7.0D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3095 0.080144 207 C pz 3155 -0.076503 211 C pz 2703 -0.073137 181 C px 2718 0.072651 182 C px Vector 707 Occ=2.000000D+00 E=-2.387270D-01 MO Center= -6.5D-03, -1.7D-01, 6.3D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 860 0.094518 58 C pz Vector 708 Occ=2.000000D+00 E=-2.379113D-01 MO Center= 2.1D-01, 2.8D-01, 2.8D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 530 0.113178 36 C pz 3470 -0.103582 232 C pz Vector 709 Occ=2.000000D+00 E=-2.371006D-01 MO Center= -5.3D-01, 3.5D-02, -1.3D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2809 -0.097194 188 C py 1789 -0.095482 120 C py 1684 0.092528 113 C py 1954 0.091307 131 C py Vector 710 Occ=2.000000D+00 E=-2.368371D-01 MO Center= 5.5D-01, -1.7D-01, -1.2D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2658 -0.082059 178 C px 1519 -0.080878 102 C py 2118 0.079700 142 C px 2073 -0.077514 139 C px 2389 0.077441 160 C py 2465 -0.077787 165 C pz 170 0.075616 12 C pz 2583 0.075874 173 C px 2675 0.075948 179 C pz Vector 711 Occ=2.000000D+00 E=-2.312633D-01 MO Center= -2.8D-01, 1.3D-01, -4.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3530 -0.095756 236 C pz 2058 0.088174 138 C px Vector 712 Occ=2.000000D+00 E=-2.309054D-01 MO Center= 4.0D-01, 2.9D-01, -1.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2598 0.080195 174 C px 2703 0.075137 181 C px Vector 713 Occ=2.000000D+00 E=-2.302611D-01 MO Center= -2.2D-01, -5.6D-01, 3.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 483 0.083575 33 C px 2449 -0.082518 164 C py 2374 0.079202 159 C py 2434 0.077243 163 C py Vector 714 Occ=2.000000D+00 E=-2.296646D-01 MO Center= 3.0D-01, 3.0D-01, 2.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2869 -0.084660 192 C py 2014 -0.081375 135 C py 1414 0.080391 95 C py Vector 715 Occ=2.000000D+00 E=-2.281477D-01 MO Center= -2.9D-01, -3.9D-02, -9.9D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2073 -0.075212 139 C px 798 0.070681 54 C px Vector 716 Occ=2.000000D+00 E=-2.138776D-01 MO Center= -6.1D-01, 6.5D-02, -1.3D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2058 0.092408 138 C px 1593 0.090433 107 C px Vector 717 Occ=2.000000D+00 E=-2.122017D-01 MO Center= -5.3D-01, 1.1D+00, -8.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3350 0.098116 224 C pz 2014 0.090916 135 C py Vector 718 Occ=2.000000D+00 E=-2.120663D-01 MO Center= 6.3D-01, -8.1D-01, -6.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 963 0.088977 65 C px 2449 -0.085872 164 C py 3590 -0.081345 240 C pz 978 0.080544 66 C px Vector 719 Occ=2.000000D+00 E=-2.108821D-01 MO Center= -1.0D+00, -1.2D+00, -1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2434 0.084536 163 C py 1399 0.083873 94 C py 2118 -0.079246 142 C px Vector 720 Occ=2.000000D+00 E=-2.103273D-01 MO Center= 1.2D+00, 4.8D-01, -6.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2733 0.081797 183 C px 2853 -0.076919 191 C px 3410 -0.076211 228 C pz Vector 721 Occ=0.000000D+00 E=-1.446482D-01 MO Center= -7.7D-02, 7.5D-01, 9.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 545 0.088255 37 C pz 549 0.085978 37 C pz 1504 0.084131 101 C py 2869 0.080851 192 C py Vector 722 Occ=0.000000D+00 E=-1.430892D-01 MO Center= 1.8D+00, -2.7D-01, 3.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2658 -0.092921 178 C px 978 0.092213 66 C px 982 0.083953 66 C px Vector 723 Occ=0.000000D+00 E=-1.411698D-01 MO Center= -1.6D+00, -4.1D-01, -1.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2058 -0.101031 138 C px 1593 0.096846 107 C px 1684 0.094756 113 C py Vector 724 Occ=0.000000D+00 E=-1.289662D-01 MO Center= -1.6D+00, 1.1D+00, -5.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2014 -0.094500 135 C py 1608 0.086923 108 C px 1612 0.086070 108 C px Vector 725 Occ=0.000000D+00 E=-1.278579D-01 MO Center= 5.1D-01, -2.1D+00, -4.4D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2389 -0.109809 160 C py 1789 0.107482 120 C py Vector 726 Occ=0.000000D+00 E=-1.271350D-01 MO Center= 9.9D-01, 9.6D-01, -2.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2809 -0.093404 188 C py 1519 0.092442 102 C py 3350 0.087063 224 C pz 3354 0.085011 224 C pz Vector 727 Occ=0.000000D+00 E=-9.233551D-02 MO Center= 1.2D-01, 9.1D-01, 9.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 504 0.110398 34 C pz 249 -0.099731 17 C pz Vector 728 Occ=0.000000D+00 E=-9.092296D-02 MO Center= 6.1D-02, 5.1D-01, 3.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 98 0.094915 7 C py 94 0.087472 7 C py Vector 729 Occ=0.000000D+00 E=-9.029313D-02 MO Center= 2.8D-01, -8.1D-01, 2.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1373 0.092050 92 C py 834 -0.090930 56 C pz 1369 0.086140 92 C py 3519 -0.085825 235 C pz 1088 0.084833 73 C py 3234 0.084950 216 C pz 1224 0.082988 82 C pz 3504 0.083276 234 C pz Vector 730 Occ=0.000000D+00 E=-8.918410D-02 MO Center= -8.9D-02, -2.3D-01, -1.4D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 937 0.096968 63 C px 933 0.090311 63 C px Vector 731 Occ=0.000000D+00 E=-8.654912D-02 MO Center= -2.5D-01, 9.3D-02, -2.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2302 0.095285 154 C px 2948 -0.089155 197 C py Vector 732 Occ=0.000000D+00 E=-7.650483D-02 MO Center= -7.9D-02, 1.3D-01, 1.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1718 -0.108610 115 C py 1538 0.107437 103 C py 3549 -0.104296 237 C pz Vector 733 Occ=0.000000D+00 E=-7.384371D-02 MO Center= 5.8D-03, -1.1D-02, -2.9D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1747 0.085127 117 C px 772 -0.082692 52 C px 215 0.081574 15 C pz 1927 -0.080279 129 C px 3380 -0.080584 226 C pz 1987 0.077684 133 C px Vector 734 Occ=0.000000D+00 E=-7.304080D-02 MO Center= -7.3D-02, 3.3D-01, -3.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2903 0.107876 194 C py 2918 -0.105397 195 C py 2899 0.103936 194 C py 2914 -0.102286 195 C py 3564 -0.102535 238 C pz 1058 0.098391 71 C py Vector 735 Occ=0.000000D+00 E=-7.241922D-02 MO Center= 1.1D-01, -3.3D-01, -5.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3069 0.105927 205 C pz 3444 0.100572 230 C pz 3429 -0.098970 229 C pz 3065 0.096977 205 C pz Vector 736 Occ=0.000000D+00 E=-7.211477D-02 MO Center= -1.5D-01, -2.7D-01, -1.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1642 0.095031 110 C px 2287 -0.094302 153 C px 2283 -0.092824 153 C px 1447 0.090500 97 C px 1638 0.089154 110 C px 1443 0.086665 97 C px Vector 737 Occ=0.000000D+00 E=-7.155208D-02 MO Center= 3.0D-02, 1.8D-01, -1.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3099 0.104421 207 C pz 1209 0.099402 81 C pz Vector 738 Occ=0.000000D+00 E=-6.687892D-02 MO Center= 6.6D-01, -1.2D-02, 5.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3294 0.103088 220 C pz 819 0.099138 55 C pz 1432 0.099181 96 C px 1179 -0.096955 79 C pz Vector 739 Occ=0.000000D+00 E=-6.574787D-02 MO Center= 9.9D-01, 1.7D-01, 7.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1583 0.109410 106 C py 1329 -0.106065 89 C pz 1325 -0.101610 89 C pz 1010 0.099367 68 C pz 368 0.098494 25 C py Vector 740 Occ=0.000000D+00 E=-6.480784D-02 MO Center= -2.3D-01, -1.2D+00, 8.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2528 0.113766 169 C py 1388 0.110450 93 C py 549 0.109507 37 C pz Vector 741 Occ=0.000000D+00 E=-6.447832D-02 MO Center= 3.8D-01, 4.7D-01, 4.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2737 -0.112810 183 C px 353 0.111675 24 C py 1927 0.107528 129 C px 2948 0.107930 197 C py 457 -0.103341 31 C px 2302 -0.103089 154 C px Vector 742 Occ=0.000000D+00 E=-6.396409D-02 MO Center= -8.9D-01, 3.2D-01, 2.1D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1254 0.132345 84 C pz Vector 743 Occ=0.000000D+00 E=-6.352581D-02 MO Center= -7.3D-01, 9.4D-01, 4.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1568 0.143866 105 C py Vector 744 Occ=0.000000D+00 E=-6.305308D-02 MO Center= 1.9D-01, 3.7D-01, -1.1D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3039 0.114434 203 C pz Vector 745 Occ=0.000000D+00 E=-6.214153D-02 MO Center= 5.8D-01, 2.4D-02, 5.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 922 0.132624 62 C px Vector 746 Occ=0.000000D+00 E=-6.210986D-02 MO Center= -2.4D-01, 5.2D-02, 5.6D-02, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1688 0.107985 113 C py 1793 0.104649 120 C py 1627 0.103784 109 C px 3279 -0.098013 219 C pz Vector 747 Occ=0.000000D+00 E=-6.124889D-02 MO Center= 2.1D-01, -5.8D-01, 1.5D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2617 0.129609 175 C px Vector 748 Occ=0.000000D+00 E=-6.065927D-02 MO Center= -8.5D-01, -3.9D-01, 6.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 159 0.103842 11 C pz 1747 0.101607 117 C px 757 0.094923 51 C px 1538 0.094738 103 C py Vector 749 Occ=0.000000D+00 E=-5.995768D-02 MO Center= 1.2D-01, 1.3D-01, -1.7D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3309 0.153780 221 C pz Vector 750 Occ=0.000000D+00 E=-5.853898D-02 MO Center= -7.3D-01, 6.3D-01, -1.5D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2332 -0.124398 156 C px 2049 0.115893 137 C pz 2347 -0.114176 157 C px 2963 0.112684 198 C py Vector 751 Occ=0.000000D+00 E=-5.659878D-02 MO Center= 7.2D-01, -1.2D+00, -7.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2423 0.182171 162 C py 2408 0.161898 161 C py Vector 752 Occ=0.000000D+00 E=-5.548620D-02 MO Center= -1.9D-01, 2.1D-01, -8.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2107 0.187665 141 C px 2103 0.151803 141 C px Vector 753 Occ=0.000000D+00 E=-3.797506D-02 MO Center= 6.9D-02, 1.1D-02, -2.0D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1597 0.137262 107 C px Vector 754 Occ=0.000000D+00 E=-3.736952D-02 MO Center= -3.0D-02, 4.3D-01, 3.6D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1508 0.147774 101 C py 879 0.135901 59 C pz Vector 755 Occ=0.000000D+00 E=-3.609509D-02 MO Center= -5.3D-02, -1.1D-02, -5.2D-02, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1344 0.146642 90 C pz 2049 0.145537 137 C pz Vector 756 Occ=0.000000D+00 E=-3.572673D-02 MO Center= 2.3D-01, -3.4D-01, 3.2D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1028 -0.133803 69 C py 999 0.131953 67 C pz 1793 0.127812 120 C py 1688 0.120619 113 C py Vector 757 Occ=0.000000D+00 E=-3.484177D-02 MO Center= -1.5D-01, 1.9D-03, 3.6D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 294 0.126751 20 C pz 1523 -0.117745 102 C py 2722 0.114419 182 C px Vector 758 Occ=0.000000D+00 E=-3.307970D-02 MO Center= -4.0D-02, 7.4D-02, 2.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1373 0.119444 92 C py 1058 -0.108384 71 C py Vector 759 Occ=0.000000D+00 E=-3.243943D-02 MO Center= 1.0D-01, -2.8D-01, -6.0D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3369 0.105369 225 C pz 3489 -0.100501 233 C pz 2873 0.095560 192 C py 3485 -0.095849 233 C pz Vector 760 Occ=0.000000D+00 E=-3.195327D-02 MO Center= 7.5D-02, -1.6D-02, -2.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3429 0.113594 229 C pz 3069 -0.103159 205 C pz Vector 761 Occ=0.000000D+00 E=-3.083116D-02 MO Center= -7.4D-02, 8.3D-02, -2.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 937 -0.111238 63 C px 457 0.109360 31 C px 3129 0.109840 209 C pz 2903 -0.106742 194 C py 2287 0.103745 153 C px Vector 762 Occ=0.000000D+00 E=-3.059886D-02 MO Center= -1.1D-01, -2.6D-01, -3.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 772 0.099683 52 C px 3294 -0.097939 220 C pz 638 0.095522 43 C py 1284 0.091142 86 C pz 3155 0.091347 211 C pz 3159 0.091574 211 C pz 2272 0.090456 152 C px Vector 763 Occ=0.000000D+00 E=-2.931615D-02 MO Center= 2.4D-01, -2.5D-01, -2.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1882 0.109143 126 C px 1912 0.100577 128 C px Vector 764 Occ=0.000000D+00 E=-2.894880D-02 MO Center= -1.1D-01, 3.7D-01, -2.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 472 0.127783 32 C px 68 0.120340 5 C py 952 0.116423 64 C px 1942 -0.115744 130 C px Vector 765 Occ=0.000000D+00 E=-2.112600D-02 MO Center= -2.0D-02, 5.9D-02, 5.3D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1149 -0.119149 77 C pz 1118 -0.116828 75 C py 1028 -0.112292 69 C py 174 0.110726 12 C pz 1284 0.110302 86 C pz 188 -0.109361 13 C py Vector 766 Occ=0.000000D+00 E=-2.096360D-02 MO Center= -4.3D-02, -7.2D-02, 4.7D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 294 0.131884 20 C pz Vector 767 Occ=0.000000D+00 E=-1.898738D-02 MO Center= 1.1D-01, 1.1D-01, 3.8D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 864 0.137229 58 C pz 879 -0.136614 59 C pz 699 0.127762 47 C pz Vector 768 Occ=0.000000D+00 E=-1.814674D-02 MO Center= -3.0D-01, 2.1D-01, 4.6D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 549 0.149514 37 C pz Vector 769 Occ=0.000000D+00 E=-1.669256D-02 MO Center= -5.5D-02, 7.9D-02, -2.8D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3159 -0.133108 211 C pz 159 0.123589 11 C pz Vector 770 Occ=0.000000D+00 E=-1.609019D-02 MO Center= -2.2D-01, -1.5D-01, -1.8D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 279 0.132611 19 C pz 3099 -0.129993 207 C pz Vector 771 Occ=0.000000D+00 E=-1.488277D-02 MO Center= 1.9D-01, -4.4D-02, -1.4D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3549 0.120832 237 C pz 3489 0.111556 233 C pz 1344 0.110459 90 C pz 2722 -0.109394 182 C px Vector 772 Occ=0.000000D+00 E=-1.259764D-02 MO Center= 2.9D-01, 3.6D-02, -5.1D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2393 0.122828 160 C py Vector 773 Occ=0.000000D+00 E=-1.199022D-02 MO Center= -1.3D-01, -1.1D-01, -4.5D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2617 -0.130763 175 C px 1627 0.127989 109 C px 2423 -0.121097 162 C py 2062 -0.119939 138 C px 2813 -0.119484 188 C py Vector 774 Occ=0.000000D+00 E= 9.815839D-03 MO Center= -2.8D-02, 1.3D-02, -6.3D-02, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 757 0.113857 51 C px 83 0.112562 6 C py 249 0.111264 17 C pz 2767 0.109584 185 C px 2558 0.106338 171 C py 2918 0.106406 195 C py 2438 0.104943 163 C py 3114 0.104465 208 C pz Vector 775 Occ=0.000000D+00 E= 1.060262D-02 MO Center= -8.1D-02, 9.6D-02, 9.4D-03, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1432 0.124155 96 C px 2332 0.123638 156 C px 1358 0.120193 91 C py 98 -0.112607 7 C py Vector 776 Occ=0.000000D+00 E= 1.122910D-02 MO Center= 5.4D-02, -3.5D-02, 1.6D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3369 -0.110951 225 C pz 564 -0.110224 38 C pz 337 0.109110 23 C px 1329 0.104043 89 C pz 1254 0.103419 84 C pz 668 0.102224 45 C py 2378 -0.101394 159 C py Vector 777 Occ=0.000000D+00 E= 1.160223D-02 MO Center= -1.3D-01, -1.6D-01, 2.9D-02, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1747 0.122026 117 C px 1134 0.116555 76 C pz 3039 0.112804 203 C pz Vector 778 Occ=0.000000D+00 E= 1.204419D-02 MO Center= 2.1D-01, -1.2D-01, -1.1D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3519 0.119758 235 C pz 1224 0.112738 82 C pz 594 0.109961 40 C pz 3515 0.109828 235 C pz 1194 0.109029 80 C pz Vector 779 Occ=0.000000D+00 E= 1.319960D-02 MO Center= -1.0D-02, -1.4D-02, -1.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2903 0.130984 194 C py 1058 0.122599 71 C py Vector 780 Occ=0.000000D+00 E= 1.381183D-02 MO Center= -1.7D-02, -6.2D-02, -1.0D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 937 -0.143062 63 C px 2692 0.140012 180 C px 442 0.137755 30 C px 2287 -0.135278 153 C px Vector 781 Occ=0.000000D+00 E= 1.582164D-02 MO Center= 1.0D-01, -2.0D-01, -3.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1388 0.131331 93 C py 1462 0.129254 98 C px Vector 782 Occ=0.000000D+00 E= 1.626861D-02 MO Center= -1.2D-01, 2.1D-01, -3.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1942 0.142035 130 C px 967 0.139315 65 C px 1642 0.137869 110 C px 2737 -0.131539 183 C px 472 0.129740 32 C px Vector 783 Occ=0.000000D+00 E= 2.270788D-02 MO Center= -4.6D-03, 6.8D-03, 1.9D-01, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3549 0.109628 237 C pz 1254 0.108377 84 C pz 684 0.107584 46 C pz 849 0.106415 57 C pz 579 0.105595 39 C pz 1118 -0.105216 75 C py 1283 -0.105667 86 C py 564 0.103483 38 C pz 3309 0.103839 221 C pz 1028 -0.103247 69 C py Vector 784 Occ=0.000000D+00 E= 2.663640D-02 MO Center= 8.5D-02, 9.6D-02, -4.5D-02, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2602 0.138597 174 C px 1597 0.132433 107 C px 1882 0.127930 126 C px 1508 0.127211 101 C py 2062 0.127160 138 C px Vector 785 Occ=0.000000D+00 E= 2.692417D-02 MO Center= -8.3D-02, -2.9D-02, -2.3D-02, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3474 -0.128298 232 C pz 2408 0.127540 161 C py 2423 0.126325 162 C py Vector 786 Occ=0.000000D+00 E= 4.214941D-02 MO Center= 3.7D-01, -2.7D-01, 1.6D+00, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 879 0.229017 59 C pz 699 -0.191086 47 C pz 864 -0.187280 58 C pz 1344 -0.172662 90 C pz 1418 -0.167231 95 C py 1028 0.157144 69 C py Vector 787 Occ=0.000000D+00 E= 4.318234D-02 MO Center= -6.9D-01, 3.6D-01, 4.1D-01, r^2= 5.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1508 0.186273 101 C py 1958 -0.184134 131 C py 1597 -0.177978 107 C px 1612 0.177889 108 C px 2062 0.169201 138 C px 2393 -0.167117 160 C py 1972 -0.153303 132 C px 2587 -0.153992 173 C px Vector 788 Occ=0.000000D+00 E= 4.353790D-02 MO Center= -3.6D-01, -9.3D-01, -5.8D-01, r^2= 5.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2438 -0.166943 163 C py 2077 -0.160941 139 C px 2468 0.160301 165 C py 2469 0.157206 165 C pz 487 0.156287 33 C px 3414 0.156202 228 C pz 534 0.151048 36 C pz 549 -0.150570 37 C pz 2662 -0.150217 178 C px Vector 789 Occ=0.000000D+00 E= 4.619794D-02 MO Center= 7.3D-01, -8.2D-02, -4.8D-01, r^2= 5.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1793 0.188305 120 C py 1597 0.186769 107 C px 1882 -0.182236 126 C px 1612 -0.175238 108 C px 1867 0.159057 125 C px 1777 0.157198 119 C px 2602 0.152181 174 C px Vector 790 Occ=0.000000D+00 E= 4.661133D-02 MO Center= 3.5D-01, 2.2D-01, -6.1D-01, r^2= 5.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1523 -0.200117 102 C py 1688 0.198098 113 C py 1508 0.189528 101 C py 1882 -0.164034 126 C px 1702 -0.151308 114 C px Vector 791 Occ=0.000000D+00 E= 4.812525D-02 MO Center= -2.7D-01, 3.2D-01, -1.2D+00, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 879 0.189356 59 C pz 3594 0.178305 240 C pz 864 -0.158293 58 C pz Vector 792 Occ=0.000000D+00 E= 5.032794D-02 MO Center= -2.5D-01, 5.0D-01, 9.1D-01, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 549 -0.230344 37 C pz 534 0.223096 36 C pz 3414 -0.158099 228 C pz 3474 0.154698 232 C pz 487 0.153094 33 C px 383 0.152120 26 C py Vector 793 Occ=0.000000D+00 E= 5.532230D-02 MO Center= -5.1D-02, 1.9D-01, 2.2D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1373 0.141034 92 C py 2918 -0.133069 195 C py 2978 0.127759 199 C py Vector 794 Occ=0.000000D+00 E= 5.548493D-02 MO Center= -9.7D-02, -9.9D-02, 2.8D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3534 0.136764 236 C pz 1043 -0.132114 70 C py 83 0.124736 6 C py 757 0.124900 51 C px Vector 795 Occ=0.000000D+00 E= 5.642013D-02 MO Center= -1.4D-03, -2.6D-02, 1.1D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1134 -0.111310 76 C pz 203 0.109580 14 C py 564 0.108434 38 C pz 3369 -0.106880 225 C pz 3039 0.103176 203 C pz 1388 0.101918 93 C py Vector 796 Occ=0.000000D+00 E= 5.775943D-02 MO Center= 4.1D-02, -4.2D-02, -1.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2692 -0.136004 180 C px 442 0.126622 30 C px Vector 797 Occ=0.000000D+00 E= 5.827494D-02 MO Center= 4.7D-02, -4.7D-03, 8.5D-02, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 834 0.153851 56 C pz Vector 798 Occ=0.000000D+00 E= 5.895451D-02 MO Center= 5.5D-02, -2.2D-02, 1.1D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2602 0.146123 174 C px 2062 -0.144586 138 C px 952 0.133793 64 C px Vector 799 Occ=0.000000D+00 E= 6.197182D-02 MO Center= -7.5D-03, 4.1D-02, 5.3D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1073 0.139935 72 C py 1583 0.138271 106 C py 2948 -0.130126 197 C py 1642 -0.129158 110 C px 53 0.128424 4 C py 1088 -0.127709 73 C py Vector 800 Occ=0.000000D+00 E= 6.253707D-02 MO Center= -6.7D-03, -4.8D-02, 1.2D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 457 0.146400 31 C px 1718 -0.132169 115 C py Vector 801 Occ=0.000000D+00 E= 8.114799D-02 MO Center= 3.5D-02, -1.5D-01, -1.1D+00, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2662 -0.134233 178 C px 2018 0.127407 135 C py 3231 -0.126169 216 C s 2647 -0.122739 177 C px Vector 802 Occ=0.000000D+00 E= 8.119175D-02 MO Center= -5.0D-02, -3.6D-02, -1.2D+00, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2873 0.141089 192 C py Vector 803 Occ=0.000000D+00 E= 8.403426D-02 MO Center= -2.9D-02, 8.1D-01, -4.9D-01, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3354 0.204023 224 C pz 3594 -0.200288 240 C pz 1508 -0.161508 101 C py 1523 0.161168 102 C py 879 0.154356 59 C pz 2378 -0.150556 159 C py Vector 804 Occ=0.000000D+00 E= 8.516660D-02 MO Center= 7.6D-02, -8.5D-01, -6.0D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3474 0.231493 232 C pz 3414 -0.194582 228 C pz 3534 -0.181904 236 C pz 534 -0.164412 36 C pz Vector 805 Occ=0.000000D+00 E= 9.125729D-02 MO Center= 1.1D-04, 6.5D-03, -1.7D-02, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2483 0.116790 166 C py 2978 0.115458 199 C py 2183 -0.112335 146 C py 2903 0.109720 194 C py 1358 0.108122 91 C py 9 0.106391 1 C pz 1403 0.106669 94 C py Vector 806 Occ=0.000000D+00 E= 9.219316D-02 MO Center= 1.2D-02, -2.4D-02, -1.4D-02, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2287 0.130856 153 C px 2692 -0.128341 180 C px Vector 807 Occ=0.000000D+00 E= 9.788987D-02 MO Center= -5.3D-03, -7.2D-02, -7.5D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3279 0.135367 219 C pz Vector 808 Occ=0.000000D+00 E= 9.897110D-02 MO Center= -4.4D-02, -5.2D-03, 1.2D+00, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 173 0.147386 12 C py 383 -0.147496 26 C py 1028 -0.143216 69 C py 188 -0.139567 13 C py 714 -0.139509 48 C pz 234 0.137834 16 C pz 1043 0.133598 70 C py Vector 809 Occ=0.000000D+00 E= 9.954379D-02 MO Center= 2.2D-02, 6.7D-02, 1.3D+00, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 982 0.159555 66 C px Vector 810 Occ=0.000000D+00 E= 1.026051D-01 MO Center= 2.4D-01, -5.3D-01, 5.2D-01, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 879 0.224587 59 C pz 699 -0.198647 47 C pz 3594 0.188616 240 C pz 3354 -0.170332 224 C pz 864 -0.165114 58 C pz Vector 811 Occ=0.000000D+00 E= 1.039336D-01 MO Center= 1.4D-01, -1.3D-01, -3.6D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2602 0.158443 174 C px Vector 812 Occ=0.000000D+00 E= 1.041796D-01 MO Center= -4.4D-01, 8.6D-01, 5.1D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 534 0.234528 36 C pz 549 -0.216855 37 C pz 3474 0.173063 232 C pz 3414 -0.156743 228 C pz 864 -0.150354 58 C pz Vector 813 Occ=0.000000D+00 E= 1.092636D-01 MO Center= -1.3D-02, 1.2D-02, -8.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1942 0.161128 130 C px 1642 0.157971 110 C px 1583 0.152181 106 C py Vector 814 Occ=0.000000D+00 E= 1.199491D-01 MO Center= -1.0D-02, 2.5D-02, -3.5D+00, r^2= 4.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3126 0.262904 209 C s 3066 0.251410 205 C s 3111 0.251805 208 C s 3246 0.251162 217 C s 3186 0.245044 213 C s 3291 0.241412 220 C s 3006 0.239621 201 C s 3051 0.234972 204 C s 3171 0.230896 212 C s 3231 0.211710 216 C s Vector 815 Occ=0.000000D+00 E= 1.231455D-01 MO Center= 1.9D+00, -1.2D+00, -2.3D+00, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3141 0.306998 210 C s 3381 0.303695 226 C s 3396 0.295621 227 C s 3414 -0.273837 228 C pz 2781 0.256178 186 C s 2571 -0.252504 172 C s 3456 -0.246760 231 C s 3081 -0.242355 206 C s 3441 -0.240315 230 C s 3474 0.231236 232 C pz Vector 816 Occ=0.000000D+00 E= 1.238636D-01 MO Center= -2.1D+00, 1.1D+00, -2.4D+00, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3561 0.287903 238 C s 3576 0.283476 239 C s 3021 0.281665 202 C s 3261 -0.278870 218 C s 3501 -0.274727 234 C s 3594 -0.269673 240 C pz 3534 0.268064 236 C pz 2361 0.258104 158 C s 3516 -0.258875 235 C s 2256 -0.235913 151 C s Vector 817 Occ=0.000000D+00 E= 1.290926D-01 MO Center= -5.1D-01, 9.2D-01, 1.8D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 396 -0.195505 27 C s 262 -0.192649 18 C px 188 0.186882 13 C py 1206 -0.172528 81 C s 173 -0.167721 12 C py 246 -0.166775 17 C s 1116 -0.164663 75 C s 36 0.163116 3 C s 3546 0.163253 237 C s 159 0.161906 11 C pz Vector 818 Occ=0.000000D+00 E= 1.298660D-01 MO Center= -4.6D-01, -4.5D-01, 2.7D-01, r^2= 5.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3201 0.182526 214 C s 2991 -0.161147 200 C s 2602 0.153880 174 C px Vector 819 Occ=0.000000D+00 E= 1.299188D-01 MO Center= 8.1D-01, -3.5D-02, 8.0D-01, r^2= 5.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3141 0.170619 210 C s 383 -0.162862 26 C py 3366 -0.163164 225 C s 336 -0.154022 23 C s 1821 0.154508 122 C s 1281 0.150882 86 C s 1446 -0.151504 97 C s 1493 0.150605 100 C py Vector 820 Occ=0.000000D+00 E= 1.310348D-01 MO Center= 2.8D-01, -2.2D-01, 8.6D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2556 0.174652 171 C s 816 -0.157792 55 C s 2976 0.156950 199 C s Vector 821 Occ=0.000000D+00 E= 1.323569D-01 MO Center= 1.4D+00, -1.6D+00, 2.2D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 879 0.278977 59 C pz 1296 0.248118 87 C s 1236 0.236558 83 C s 864 -0.234051 58 C pz 699 -0.230195 47 C pz 2511 0.219048 168 C s 2526 0.210928 169 C s 711 -0.200237 48 C s 831 -0.200800 56 C s 2781 0.185781 186 C s Vector 822 Occ=0.000000D+00 E= 1.341428D-01 MO Center= 5.0D-02, 8.4D-02, -2.8D+00, r^2= 4.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3426 0.537305 229 C s 3366 0.534509 225 C s 3306 0.528416 221 C s 3546 0.530357 237 C s 3486 0.518239 233 C s 3096 0.474533 207 C s 3036 0.451161 203 C s 3276 0.452557 219 C s 3156 0.448685 211 C s 2541 0.429740 170 C s Vector 823 Occ=0.000000D+00 E= 1.350157D-01 MO Center= -1.2D+00, 1.7D+00, 2.2D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 534 0.301559 36 C pz 549 -0.298394 37 C pz 591 0.262578 40 C s 516 -0.239834 35 C s 2931 0.234778 196 C s 216 -0.228238 15 C s 231 0.215316 16 C s 2316 -0.197368 155 C s 1311 0.191487 88 C s 292 0.186194 20 C px Vector 824 Occ=0.000000D+00 E= 1.358239D-01 MO Center= -7.8D-02, -5.7D-02, -1.8D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3276 0.250705 219 C s 2256 -0.220986 151 C s 3156 -0.212096 211 C s 2781 0.192248 186 C s 3246 -0.181222 217 C s 3128 -0.163386 209 C py 3096 -0.162424 207 C s 3081 -0.158650 206 C s 3171 0.159221 212 C s 3201 0.158610 214 C s Vector 825 Occ=0.000000D+00 E= 1.362409D-01 MO Center= -8.1D-02, 4.5D-02, -1.5D+00, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3216 -0.202235 215 C s 3036 0.186934 203 C s 3231 0.179686 216 C s 2361 -0.167132 158 C s 3187 -0.167167 213 C px 2571 0.159456 172 C s 3096 0.156602 207 C s 3232 -0.157303 216 C px 2991 -0.154382 200 C s 3261 0.151098 218 C s Vector 826 Occ=0.000000D+00 E= 1.444630D-01 MO Center= -3.8D-02, 1.8D-01, -3.3D+00, r^2= 4.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3111 -0.529934 208 C s 3276 -0.522396 219 C s 2541 0.487281 170 C s 3126 -0.477690 209 C s 3291 0.443495 220 C s 3156 0.432298 211 C s 2331 -0.427461 156 C s 2961 -0.404195 198 C s 3096 0.395756 207 C s 2976 -0.383410 199 C s Vector 827 Occ=0.000000D+00 E= 1.453730D-01 MO Center= 3.7D-02, -3.0D-01, -3.3D+00, r^2= 4.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3171 0.534231 212 C s 3051 -0.511745 204 C s 3036 0.482111 203 C s 2751 0.463879 184 C s 3186 0.455000 213 C s 3216 -0.448379 215 C s 3066 -0.445655 205 C s 2226 -0.426112 149 C s 3141 -0.367808 210 C s 2766 0.358048 185 C s Vector 828 Occ=0.000000D+00 E= 1.473469D-01 MO Center= -2.4D-02, 1.8D-01, -2.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3366 0.456836 225 C s 2976 -0.366547 199 C s 2556 0.358631 171 C s 21 -0.342665 2 C s 3126 -0.342524 209 C s 3306 0.329825 221 C s 2241 0.298680 150 C s 3291 -0.284220 220 C s 3396 -0.282445 227 C s 3456 -0.269074 231 C s Vector 829 Occ=0.000000D+00 E= 1.477600D-01 MO Center= -1.3D-01, -9.6D-02, 1.2D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 681 0.524317 46 C s 3546 -0.526500 237 C s 1251 0.514616 84 C s 561 0.510474 38 C s 576 0.494367 39 C s 846 0.496058 57 C s 3486 -0.496016 233 C s 1131 0.484821 76 C s 1326 0.479791 89 C s 276 0.451308 19 C s Vector 830 Occ=0.000000D+00 E= 1.483711D-01 MO Center= 1.8D-01, -1.8D-01, -2.5D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3426 0.430103 229 C s 2346 0.382327 157 C s 2766 -0.371092 185 C s 3066 0.351587 205 C s 2241 0.295859 150 C s 3336 0.286175 223 C s 3456 -0.283577 231 C s 3471 0.279926 232 C s 3306 -0.277525 221 C s 3186 -0.266520 213 C s Vector 831 Occ=0.000000D+00 E= 1.491571D-01 MO Center= 2.0D-01, 5.2D-02, -3.6D+00, r^2= 4.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3336 0.665889 223 C s 3441 0.540194 230 C s 3501 -0.534398 234 C s 3396 -0.530923 227 C s 3381 -0.463480 226 C s 3411 0.453475 228 C s 3231 -0.433553 216 C s 3576 -0.430047 239 C s 3471 -0.391208 232 C s 3351 -0.385284 224 C s Vector 832 Occ=0.000000D+00 E= 1.501315D-01 MO Center= -3.1D-01, 8.6D-01, -3.4D+00, r^2= 4.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3516 0.644044 235 C s 3321 0.615502 222 C s 3591 0.542055 240 C s 3561 -0.529037 238 C s 3576 -0.523661 239 C s 2046 0.459954 137 C s 3051 0.448622 204 C s 3456 -0.432922 231 C s 2886 -0.383886 193 C s 3381 -0.355611 226 C s Vector 833 Occ=0.000000D+00 E= 1.524325D-01 MO Center= 9.5D-01, -3.8D-01, -2.8D+00, r^2= 4.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2706 0.447859 181 C s 2481 0.403685 166 C s 3321 -0.404383 222 C s 2571 0.397636 172 C s 2676 0.397268 179 C s 3081 0.397614 206 C s 2616 -0.373521 175 C s 2631 -0.353325 176 C s 3156 -0.330985 211 C s 1536 0.323678 103 C s Vector 834 Occ=0.000000D+00 E= 1.528620D-01 MO Center= -3.2D-01, -7.7D-01, -1.6D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1836 0.468268 123 C s 1806 0.460148 121 C s 2406 0.460454 161 C s 2496 -0.454955 167 C s 1356 0.411818 91 C s 156 -0.404209 11 C s 81 -0.391548 6 C s 21 -0.378438 2 C s 3231 -0.379847 216 C s 3126 0.367700 209 C s Vector 835 Occ=0.000000D+00 E= 1.530288D-01 MO Center= -6.0D-01, 1.2D+00, -8.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1986 0.389595 133 C s 2781 0.360148 186 C s 51 -0.311533 4 C s 2886 0.305327 193 C s 3261 -0.305756 218 C s 1656 0.300244 111 C s 81 0.278587 6 C s 2931 -0.278037 196 C s 2046 -0.269615 137 C s 2901 -0.263822 194 C s Vector 836 Occ=0.000000D+00 E= 1.531088D-01 MO Center= -6.3D-01, 7.3D-01, -1.4D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2991 0.437902 200 C s 2286 0.405007 153 C s 2046 0.343283 137 C s 426 -0.340835 29 C s 2901 0.332162 194 C s 3501 -0.325672 234 C s 3261 0.312000 218 C s 3246 -0.309180 217 C s 2811 0.305734 188 C s 2541 0.300577 170 C s Vector 837 Occ=0.000000D+00 E= 1.541768D-01 MO Center= -2.9D-01, -1.7D-01, -3.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 756 0.524965 51 C s 1746 0.483080 117 C s 1011 -0.479163 68 C s 621 -0.469734 42 C s 921 -0.466666 62 C s 2091 0.446642 140 C s 321 -0.432418 22 C s 1926 -0.419137 129 C s 1716 0.414416 115 C s 1896 -0.410011 127 C s Vector 838 Occ=0.000000D+00 E= 1.559889D-01 MO Center= -2.7D-01, 3.5D-01, 2.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2316 0.454958 155 C s 681 0.450105 46 C s 111 0.434525 8 C s 2946 0.417460 197 C s 561 0.380469 38 C s 351 0.374680 24 C s 2736 0.372824 183 C s 2526 0.364380 169 C s 1251 0.338115 84 C s 951 0.324634 64 C s Vector 839 Occ=0.000000D+00 E= 1.571871D-01 MO Center= -1.5D-01, 1.8D-01, 3.4D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1251 0.391878 84 C s 561 -0.338560 38 C s 816 0.335643 55 C s 576 -0.333264 39 C s 831 -0.304290 56 C s 1026 -0.284485 69 C s 501 -0.273620 34 C s 1116 -0.261536 75 C s 531 -0.259822 36 C s 876 0.258872 59 C s Vector 840 Occ=0.000000D+00 E= 1.573650D-01 MO Center= 1.6D-01, -5.2D-01, 3.3D+00, r^2= 4.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 846 0.387841 57 C s 1176 -0.338638 79 C s 1356 0.315798 91 C s 681 -0.312774 46 C s 1296 -0.308018 87 C s 201 0.300072 14 C s 1491 -0.286452 100 C s 576 0.284714 39 C s 1431 -0.275662 96 C s 6 -0.259605 1 C s Vector 841 Occ=0.000000D+00 E= 1.595884D-01 MO Center= 2.8D-01, -2.2D+00, 1.2D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1131 0.408589 76 C s 1326 -0.381583 89 C s 1836 0.382324 123 C s 1101 0.368558 74 C s 1791 0.345164 120 C s 1266 -0.343364 85 C s 1341 -0.330937 90 C s 1146 0.319849 77 C s 1371 0.313730 92 C s 1746 -0.279965 117 C s Vector 842 Occ=0.000000D+00 E= 1.604530D-01 MO Center= -2.3D-01, 1.8D+00, 1.9D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 96 0.492578 7 C s 171 0.491979 12 C s 6 0.478626 1 C s 606 -0.450979 41 C s 996 -0.406451 67 C s 156 0.380102 11 C s 1611 0.375215 108 C s 306 0.364337 21 C s 336 -0.358927 23 C s 1566 -0.356332 105 C s Vector 843 Occ=0.000000D+00 E= 1.607032D-01 MO Center= -1.3D-01, 1.0D+00, 2.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 186 0.419535 13 C s 261 0.406904 18 C s 246 0.404130 17 C s 591 0.390728 40 C s 201 0.377161 14 C s 1911 0.357024 128 C s 3501 0.353018 234 C s 51 0.327592 4 C s 36 -0.316968 3 C s 1881 0.315772 126 C s Vector 844 Occ=0.000000D+00 E= 1.609198D-01 MO Center= 7.9D-02, 6.5D-01, 3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2901 0.475947 194 C s 231 -0.430024 16 C s 1716 -0.415783 115 C s 291 -0.407788 20 C s 396 -0.398798 27 C s 546 -0.390757 37 C s 381 -0.382122 26 C s 1191 -0.361869 80 C s 2991 0.355182 200 C s 2961 -0.347891 198 C s Vector 845 Occ=0.000000D+00 E= 1.615895D-01 MO Center= 7.1D-01, -1.0D+00, 2.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1281 0.498389 86 C s 2481 -0.500410 166 C s 1416 0.483496 95 C s 1236 0.411400 83 C s 936 -0.376483 63 C s 2541 0.371981 170 C s 1191 -0.363761 80 C s 1026 0.355600 69 C s 3516 0.349524 235 C s 1221 -0.339837 82 C s Vector 846 Occ=0.000000D+00 E= 1.621386D-01 MO Center= 2.0D-01, -2.1D-01, 2.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 981 0.445815 66 C s 1206 0.445233 81 C s 1731 0.426790 116 C s 1101 0.393280 74 C s 1176 0.390219 79 C s 1701 0.362844 114 C s 1521 -0.355797 102 C s 2166 0.357425 145 C s 726 -0.351926 49 C s 1086 0.341822 73 C s Vector 847 Occ=0.000000D+00 E= 1.633567D-01 MO Center= 5.0D-01, -5.4D-01, -6.0D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1851 0.378941 124 C s 1446 0.317539 97 C s 906 0.308636 61 C s 2226 0.309756 149 C s 306 -0.299937 21 C s 1371 -0.300898 92 C s 1761 -0.299273 118 C s 291 0.292186 20 C s 1776 0.277562 119 C s 1101 -0.263572 74 C s Vector 848 Occ=0.000000D+00 E= 1.641736D-01 MO Center= -4.8D-01, 2.8D-01, -3.4D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1581 0.339294 106 C s 2751 0.315035 184 C s 141 0.310167 10 C s 1506 0.301517 101 C s 36 0.293249 3 C s 741 -0.292169 50 C s 3201 0.293597 214 C s 606 -0.267989 41 C s 1671 -0.265358 112 C s 276 0.254299 19 C s Vector 849 Occ=0.000000D+00 E= 1.671415D-01 MO Center= 1.2D-01, 4.9D-02, 5.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 396 0.414474 27 C s 1281 -0.397391 86 C s 906 -0.381836 61 C s 741 0.356816 50 C s 816 0.347699 55 C s 1236 -0.346502 83 C s 1461 0.325750 98 C s 1116 -0.316688 75 C s 2316 -0.318259 155 C s 696 0.312114 47 C s Vector 850 Occ=0.000000D+00 E= 1.675216D-01 MO Center= -3.0D-01, 5.0D-01, 2.9D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2931 -0.406433 196 C s 141 0.372603 10 C s 2946 -0.359818 197 C s 186 -0.337381 13 C s 1266 -0.325740 85 C s 201 -0.323759 14 C s 246 -0.324840 17 C s 471 -0.308660 32 C s 51 -0.306771 4 C s 36 0.301966 3 C s Vector 851 Occ=0.000000D+00 E= 1.681595D-01 MO Center= 5.1D-02, 1.0D-01, -4.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2496 0.494232 167 C s 1581 0.454335 106 C s 366 0.448976 25 C s 1851 0.439750 124 C s 1671 0.406660 112 C s 1401 0.400048 94 C s 1506 0.380109 101 C s 1596 0.357093 107 C s 2286 0.349292 153 C s 1731 -0.345333 116 C s Vector 852 Occ=0.000000D+00 E= 1.686153D-01 MO Center= 5.2D-01, 1.9D-01, -1.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2691 -0.414864 180 C s 2706 -0.393594 181 C s 2916 0.394009 195 C s 1236 0.378629 83 C s 726 -0.368123 49 C s 1311 -0.368258 88 C s 2781 -0.359089 186 C s 3021 0.345685 202 C s 3081 -0.345778 206 C s 216 -0.338920 15 C s Vector 853 Occ=0.000000D+00 E= 1.690346D-01 MO Center= 2.3D-01, -2.8D-02, -6.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2181 0.419777 146 C s 231 0.395252 16 C s 831 -0.383029 56 C s 3201 0.369610 214 C s 966 0.364157 65 C s 2706 0.364364 181 C s 1206 -0.360474 81 C s 1941 0.351783 130 C s 981 -0.344871 66 C s 396 0.336344 27 C s Vector 854 Occ=0.000000D+00 E= 1.706295D-01 MO Center= -6.6D-02, -3.3D-01, 1.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2001 -0.378729 134 C s 2511 -0.363757 168 C s 111 0.355128 8 C s 1836 0.341828 123 C s 1116 0.333969 75 C s 1326 -0.331136 89 C s 2631 0.322455 176 C s 1386 -0.318581 93 C s 1656 -0.316470 111 C s 1866 0.311375 125 C s Vector 855 Occ=0.000000D+00 E= 1.711317D-01 MO Center= -5.7D-02, 5.4D-02, 3.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 351 0.359596 24 C s 2721 0.353838 182 C s 1446 0.322763 97 C s 2841 -0.320676 190 C s 786 -0.316335 53 C s 1176 -0.299874 79 C s 1776 0.292209 119 C s 1746 0.287147 117 C s 1926 -0.287776 129 C s 36 -0.281226 3 C s Vector 856 Occ=0.000000D+00 E= 1.725550D-01 MO Center= -4.2D-01, 1.0D+00, 1.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1806 0.386000 121 C s 1476 -0.339118 99 C s 936 -0.306859 63 C s 1431 0.287162 96 C s 1416 -0.272847 95 C s 2631 0.271653 176 C s 921 0.260357 62 C s 1821 -0.253239 122 C s 561 -0.248308 38 C s 141 0.243578 10 C s Vector 857 Occ=0.000000D+00 E= 1.731893D-01 MO Center= -1.6D-01, -6.4D-01, 9.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 771 0.443368 52 C s 711 0.402161 48 C s 471 0.376470 32 C s 6 -0.366012 1 C s 1566 -0.359948 105 C s 411 0.355997 28 C s 51 0.352894 4 C s 1401 0.342258 94 C s 216 -0.335886 15 C s 966 -0.334863 65 C s Vector 858 Occ=0.000000D+00 E= 1.736496D-01 MO Center= 6.2D-01, 7.0D-01, 5.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 66 0.490125 5 C s 96 0.386504 7 C s 606 -0.381880 41 C s 1656 -0.360280 111 C s 576 0.355268 39 C s 681 0.356178 46 C s 1911 0.352465 128 C s 2691 0.349509 180 C s 1266 -0.340305 85 C s 846 0.331535 57 C s Vector 859 Occ=0.000000D+00 E= 1.736778D-01 MO Center= 9.1D-01, 4.5D-01, -1.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 336 0.353125 23 C s 1716 0.334649 115 C s 981 0.310703 66 C s 666 0.295011 45 C s 126 0.286838 9 C s 1221 -0.277605 82 C s 321 -0.274338 22 C s 1866 -0.274311 125 C s 1191 -0.272890 80 C s 606 0.271182 41 C s Vector 860 Occ=0.000000D+00 E= 1.739826D-01 MO Center= -4.8D-01, -6.4D-01, 7.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1356 0.450503 91 C s 801 0.427836 54 C s 441 0.371503 30 C s 1101 -0.354768 74 C s 1221 0.354633 82 C s 2316 -0.338857 155 C s 2946 0.334723 197 C s 1761 0.327870 118 C s 2301 -0.320319 154 C s 1371 -0.316809 92 C s Vector 861 Occ=0.000000D+00 E= 1.760848D-01 MO Center= -4.5D-01, 2.0D-01, 7.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1161 0.434848 78 C s 501 0.398417 34 C s 726 0.384057 49 C s 246 0.339482 17 C s 411 -0.337878 28 C s 1251 0.338096 84 C s 546 -0.309947 37 C s 846 0.309047 57 C s 1416 0.303929 95 C s 2361 0.304057 158 C s Vector 862 Occ=0.000000D+00 E= 1.763651D-01 MO Center= -3.2D-01, 2.5D-01, 1.1D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 816 -0.407024 55 C s 396 -0.398736 27 C s 6 0.396617 1 C s 1221 -0.361723 82 C s 1116 0.351524 75 C s 456 -0.343148 31 C s 1821 0.324287 122 C s 36 0.320662 3 C s 216 0.286773 15 C s 1641 -0.285768 110 C s Vector 863 Occ=0.000000D+00 E= 1.769163D-01 MO Center= 6.2D-01, -7.9D-02, 3.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1176 0.424859 79 C s 1206 0.384551 81 C s 1281 0.376434 86 C s 3366 -0.333616 225 C s 381 0.327493 26 C s 1731 -0.321856 116 C s 3426 -0.318449 229 C s 3486 -0.310013 233 C s 51 0.304839 4 C s 1641 -0.305706 110 C s Vector 864 Occ=0.000000D+00 E= 1.771105D-01 MO Center= -2.8D-01, -4.2D-01, -5.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1371 0.443223 92 C s 1101 0.319159 74 C s 1551 0.306227 104 C s 3066 -0.285326 205 C s 1026 -0.272374 69 C s 1986 -0.271607 133 C s 3246 -0.271330 217 C s 2406 -0.263702 161 C s 486 -0.257445 33 C s 2751 -0.255324 184 C s Vector 865 Occ=0.000000D+00 E= 1.782040D-01 MO Center= 1.0D+00, -1.3D+00, 1.0D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 936 0.446439 63 C s 1476 0.397742 99 C s 906 0.379757 61 C s 1191 0.315753 80 C s 771 -0.296413 52 C s 1431 -0.288873 96 C s 1236 0.284907 83 C s 471 -0.272820 32 C s 231 -0.268580 16 C s 1686 0.267434 113 C s Vector 866 Occ=0.000000D+00 E= 1.785856D-01 MO Center= 1.3D+00, 1.1D+00, 7.9D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 336 0.506898 23 C s 666 0.479615 45 C s 1911 0.359440 128 C s 516 -0.328981 35 C s 2721 0.294659 182 C s 306 0.267248 21 C s 1896 -0.263441 127 C s 36 -0.261670 3 C s 216 -0.250083 15 C s 606 0.251077 41 C s Vector 867 Occ=0.000000D+00 E= 1.797356D-01 MO Center= -9.0D-01, -5.5D-01, 1.1D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 441 -0.425672 30 C s 591 0.414497 40 C s 426 0.399348 29 C s 771 -0.374653 52 C s 1236 0.369684 83 C s 741 -0.362788 50 C s 2421 -0.362273 162 C s 411 -0.350999 28 C s 1341 -0.351547 90 C s 1626 0.330610 109 C s Vector 868 Occ=0.000000D+00 E= 1.797720D-01 MO Center= -4.4D-01, -1.6D-01, 5.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1266 0.395663 85 C s 1371 0.340508 92 C s 306 -0.292332 21 C s 1596 0.292895 107 C s 1041 -0.289432 70 C s 2301 -0.290518 154 C s 1311 0.285419 88 C s 1971 -0.285360 132 C s 651 0.282288 44 C s 351 0.277732 24 C s Vector 869 Occ=0.000000D+00 E= 1.810825D-01 MO Center= -2.8D-01, -5.2D-02, 2.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1146 0.435181 77 C s 516 0.409511 35 C s 291 -0.357331 20 C s 696 0.353294 47 C s 1296 0.351237 87 C s 3096 -0.336378 207 C s 231 -0.319744 16 C s 2391 -0.319812 160 C s 711 -0.313386 48 C s 1791 -0.314202 120 C s Vector 870 Occ=0.000000D+00 E= 1.812855D-01 MO Center= -3.8D-01, -1.0D-01, 1.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 171 0.417824 12 C s 3216 -0.352282 215 C s 3531 0.352424 236 C s 1521 0.347281 102 C s 216 0.333907 15 C s 996 -0.327132 67 C s 831 0.320287 56 C s 531 0.318603 36 C s 1731 0.316204 116 C s 3591 -0.308354 240 C s Vector 871 Occ=0.000000D+00 E= 1.854876D-01 MO Center= 3.0D-01, 2.3D-01, -1.5D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2226 0.347669 149 C s 2631 -0.344641 176 C s 2841 0.342987 190 C s 2541 -0.334372 170 C s 111 0.324262 8 C s 1656 -0.308944 111 C s 1746 0.307081 117 C s 351 -0.300825 24 C s 2001 -0.287582 134 C s 3576 0.273818 239 C s Vector 872 Occ=0.000000D+00 E= 1.860052D-01 MO Center= 3.8D-01, 6.4D-02, -5.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1386 0.337645 93 C s 1461 -0.330317 98 C s 1926 0.308322 129 C s 2931 0.306981 196 C s 2961 -0.302731 198 C s 231 0.275219 16 C s 2616 0.273738 175 C s 951 -0.263577 64 C s 2106 0.259280 141 C s 2751 0.251292 184 C s Vector 873 Occ=0.000000D+00 E= 1.863990D-01 MO Center= 4.3D-01, -2.7D-01, -6.1D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2421 0.321516 162 C s 651 0.314966 44 C s 1026 0.275148 69 C s 1071 0.274722 72 C s 891 0.267484 60 C s 1116 0.267405 75 C s 2076 0.258919 139 C s 2856 0.259693 191 C s 2601 0.257469 174 C s 3141 -0.252667 210 C s Vector 874 Occ=0.000000D+00 E= 1.865464D-01 MO Center= -6.7D-01, 4.0D-01, -1.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2826 -0.271591 189 C s 846 0.269830 57 C s 36 0.250729 3 C s 876 0.249083 59 C s 51 -0.244034 4 C s 1416 -0.243576 95 C s 3456 0.238131 231 C s 2076 0.234706 139 C s 1071 0.232186 72 C s 1206 -0.232486 81 C s Vector 875 Occ=0.000000D+00 E= 1.873229D-01 MO Center= 6.2D-01, -3.9D-02, -3.8D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3276 0.284860 219 C s 2916 0.267236 195 C s 3036 -0.266114 203 C s 3081 0.250391 206 C s 726 0.247580 49 C s 1101 -0.241183 74 C s 3051 0.226553 204 C s 1056 -0.220206 71 C s 2451 -0.219800 164 C s 801 -0.216320 54 C s Vector 876 Occ=0.000000D+00 E= 1.880994D-01 MO Center= -9.7D-01, -3.2D-01, -3.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2091 0.336944 140 C s 2106 0.335067 141 C s 861 0.308779 58 C s 2031 -0.285584 136 C s 2286 0.284104 153 C s 456 -0.282070 31 C s 3216 0.273498 215 C s 2181 -0.251651 146 C s 81 -0.245304 6 C s 2271 -0.246178 152 C s Vector 877 Occ=0.000000D+00 E= 1.884541D-01 MO Center= -7.1D-02, -6.2D-01, -4.0D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 756 0.271928 51 C s 3201 0.268461 214 C s 51 0.262785 4 C s 1311 -0.250379 88 C s 3111 -0.250871 208 C s 2301 -0.242205 154 C s 2121 -0.237144 142 C s 246 -0.234300 17 C s 546 0.231308 37 C s 1881 -0.229516 126 C s Vector 878 Occ=0.000000D+00 E= 1.897377D-01 MO Center= -8.0D-01, -6.2D-03, -6.3D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3413 0.325001 228 C py 3533 0.316500 236 C py 81 0.313304 6 C s 3471 0.300696 232 C s 2466 -0.290736 165 C s 3593 0.285338 240 C py 2286 0.282943 153 C s 3261 0.275337 218 C s 696 -0.270984 47 C s 2046 0.263390 137 C s Vector 879 Occ=0.000000D+00 E= 1.915594D-01 MO Center= -8.5D-01, -1.6D-01, -5.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1641 0.384688 110 C s 471 0.315484 32 C s 3156 -0.308074 211 C s 156 -0.306014 11 C s 2451 -0.295455 164 C s 3546 0.282142 237 C s 1326 0.272694 89 C s 2136 -0.265422 143 C s 3306 0.265913 221 C s 1611 0.255107 108 C s Vector 880 Occ=0.000000D+00 E= 1.920242D-01 MO Center= 7.0D-01, 6.6D-01, -1.5D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2871 0.364877 192 C s 3426 -0.347129 229 C s 3486 -0.318435 233 C s 2991 -0.289057 200 C s 2916 -0.284274 195 C s 2781 -0.279568 186 C s 2691 -0.250613 180 C s 996 -0.249190 67 C s 1911 -0.240554 128 C s 2721 0.232111 182 C s Vector 881 Occ=0.000000D+00 E= 1.921448D-01 MO Center= -2.6D-01, -2.5D-01, -3.3D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2136 -0.331739 143 C s 3216 -0.328216 215 C s 3366 0.318791 225 C s 1011 -0.310884 68 C s 276 0.308188 19 C s 1086 -0.309231 73 C s 3306 0.296597 221 C s 1761 0.290889 118 C s 2856 0.285711 191 C s 2271 0.273214 152 C s Vector 882 Occ=0.000000D+00 E= 1.926009D-01 MO Center= -7.0D-01, -5.1D-02, -9.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2151 0.429721 144 C s 2676 -0.333430 179 C s 1701 0.319917 114 C s 3516 -0.303007 235 C s 771 0.296319 52 C s 1776 -0.291091 119 C s 1341 -0.288666 90 C s 3546 -0.286102 237 C s 3531 -0.273374 236 C s 2646 0.271748 177 C s Vector 883 Occ=0.000000D+00 E= 1.937473D-01 MO Center= 7.1D-01, -1.1D-01, 8.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2046 0.357819 137 C s 863 0.338275 58 C py 876 0.317851 59 C s 1146 -0.312911 77 C s 2466 -0.304609 165 C s 171 0.297626 12 C s 548 0.290052 37 C py 1776 0.286178 119 C s 531 -0.278055 36 C s 576 -0.271461 39 C s Vector 884 Occ=0.000000D+00 E= 1.941954D-01 MO Center= 2.7D-01, -4.8D-01, 8.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1506 0.390520 101 C s 696 -0.327994 47 C s 1866 -0.316417 125 C s 2421 -0.312364 162 C s 3066 -0.307430 205 C s 456 -0.294954 31 C s 1806 0.294554 121 C s 1716 -0.279080 115 C s 2796 0.254875 187 C s 1791 0.245903 120 C s Vector 885 Occ=0.000000D+00 E= 1.948388D-01 MO Center= 3.2D-01, 3.8D-01, 7.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1596 0.373223 107 C s 1896 0.373768 127 C s 2841 0.354569 190 C s 2556 -0.336722 171 C s 1536 -0.326671 103 C s 1926 0.321754 129 C s 1461 0.276659 98 C s 1191 -0.269187 80 C s 2301 -0.270149 154 C s 6 -0.261210 1 C s Vector 886 Occ=0.000000D+00 E= 1.954946D-01 MO Center= 5.0D-01, -3.9D-01, -9.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1821 -0.356647 122 C s 1731 0.353506 116 C s 1476 -0.326028 99 C s 3591 0.321501 240 C s 2586 0.315862 173 C s 1056 -0.312242 71 C s 2241 -0.309621 150 C s 3291 -0.297543 220 C s 3531 -0.288600 236 C s 1596 0.284112 107 C s Vector 887 Occ=0.000000D+00 E= 1.960117D-01 MO Center= 1.4D-01, 1.9D-02, -1.6D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1551 0.397875 104 C s 3351 -0.359693 224 C s 2061 0.351142 138 C s 1641 -0.347608 110 C s 3411 0.323534 228 C s 666 -0.321675 45 C s 1956 -0.311242 131 C s 2646 -0.309937 177 C s 2376 -0.296358 159 C s 1866 0.294370 125 C s Vector 888 Occ=0.000000D+00 E= 1.968170D-01 MO Center= 3.2D-01, 3.1D-01, 1.2D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1566 0.384687 105 C s 1866 0.377643 125 C s 1686 0.352990 113 C s 546 -0.341096 37 C s 1716 0.328281 115 C s 1746 0.317473 117 C s 501 0.300234 34 C s 2931 -0.287814 196 C s 1506 0.279555 101 C s 2766 -0.271769 185 C s Vector 889 Occ=0.000000D+00 E= 1.974423D-01 MO Center= -4.7D-01, 2.8D-01, 7.3D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1716 0.328055 115 C s 1896 0.307322 127 C s 381 -0.286854 26 C s 486 0.281438 33 C s 1626 0.265633 109 C s 2226 -0.262389 149 C s 2901 0.254990 194 C s 1176 0.251696 79 C s 66 0.236576 5 C s 2211 -0.232684 148 C s Vector 890 Occ=0.000000D+00 E= 2.012505D-01 MO Center= -6.1D-02, 6.0D-02, -4.0D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2046 0.500623 137 C s 1806 -0.426178 121 C s 2676 -0.421103 179 C s 3081 -0.395384 206 C s 3201 0.391622 214 C s 1626 0.368322 109 C s 1566 0.358319 105 C s 21 0.353485 2 C s 2976 -0.349997 199 C s 1836 -0.341295 123 C s Vector 891 Occ=0.000000D+00 E= 2.014646D-01 MO Center= -3.1D-01, -1.8D-01, -5.8D-03, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1716 0.423598 115 C s 1161 -0.418101 78 C s 1926 -0.392269 129 C s 1041 0.385652 70 C s 2151 0.376270 144 C s 3141 0.377199 210 C s 1536 -0.369604 103 C s 2886 -0.364491 193 C s 2346 -0.358505 157 C s 3561 0.342390 238 C s Vector 892 Occ=0.000000D+00 E= 2.025240D-01 MO Center= 3.9D-01, -2.0D-01, 1.6D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 321 0.502100 22 C s 846 -0.403315 57 C s 681 -0.400953 46 C s 1326 0.396917 89 C s 1356 0.381646 91 C s 621 0.338107 42 C s 426 0.334717 29 C s 576 -0.327490 39 C s 981 -0.309974 66 C s 1506 -0.301222 101 C s Vector 893 Occ=0.000000D+00 E= 2.027565D-01 MO Center= 5.8D-01, 1.7D-01, 9.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1776 0.403313 119 C s 576 0.387031 39 C s 2751 0.381469 184 C s 1011 -0.376270 68 C s 876 -0.363018 59 C s 81 -0.330818 6 C s 1416 0.331027 95 C s 1746 0.319796 117 C s 291 -0.308833 20 C s 1491 0.308533 100 C s Vector 894 Occ=0.000000D+00 E= 2.036063D-01 MO Center= -4.6D-03, 4.0D-01, 4.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2331 0.394859 156 C s 1431 0.359454 96 C s 156 0.354257 11 C s 276 -0.344077 19 C s 561 -0.327490 38 C s 1416 -0.326909 95 C s 621 -0.303304 42 C s 381 0.301599 26 C s 1596 0.295522 107 C s 2376 -0.292003 159 C s Vector 895 Occ=0.000000D+00 E= 2.041247D-01 MO Center= 2.4D-03, 4.5D-01, -8.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1956 0.407039 131 C s 2661 -0.373034 178 C s 261 0.343025 18 C s 2121 -0.333993 142 C s 1791 0.325388 120 C s 3306 -0.319618 221 C s 3486 0.314748 233 C s 1686 0.302848 113 C s 1866 -0.284034 125 C s 2646 0.275664 177 C s Vector 896 Occ=0.000000D+00 E= 2.049031D-01 MO Center= -8.2D-02, 1.7D-01, -4.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1131 0.436899 76 C s 1041 0.417947 70 C s 1716 0.397333 115 C s 2811 -0.389306 188 C s 2031 0.384023 136 C s 2856 -0.377973 191 C s 3126 0.372946 209 C s 891 -0.369867 60 C s 2136 -0.366360 143 C s 1836 -0.351516 123 C s Vector 897 Occ=0.000000D+00 E= 2.050549D-01 MO Center= 4.4D-01, -8.6D-01, 2.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1251 0.463080 84 C s 921 -0.414115 62 C s 2661 0.399387 178 C s 2241 0.394032 150 C s 2421 0.383522 162 C s 2451 -0.369494 164 C s 546 -0.343360 37 C s 486 0.330435 33 C s 1566 0.331032 105 C s 2601 0.329935 174 C s Vector 898 Occ=0.000000D+00 E= 2.055604D-01 MO Center= -5.9D-01, -4.6D-01, -4.6D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2436 0.473212 163 C s 2136 -0.386304 143 C s 2871 0.355597 192 C s 1926 0.351102 129 C s 1536 -0.346299 103 C s 3246 -0.342828 217 C s 21 -0.330920 2 C s 726 -0.328445 49 C s 2391 0.320240 160 C s 1506 0.318220 101 C s Vector 899 Occ=0.000000D+00 E= 2.077999D-01 MO Center= -4.8D-01, -4.7D-01, 1.5D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1296 -0.257656 87 C s 1371 -0.251447 92 C s 111 0.245258 8 C s 441 -0.238812 30 C s 411 -0.236739 28 C s 1311 0.237829 88 C s 1611 -0.229915 108 C s 3591 0.229731 240 C s 246 0.223024 17 C s 501 0.213500 34 C s Vector 900 Occ=0.000000D+00 E= 2.081027D-01 MO Center= 6.0D-01, 7.9D-01, 1.2D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 831 0.265796 56 C s 96 0.260996 7 C s 1101 0.259188 74 C s 336 -0.257472 23 C s 591 -0.250002 40 C s 1056 0.247543 71 C s 3231 0.239960 216 C s 306 -0.220145 21 C s 141 0.217444 10 C s 1236 -0.212669 83 C s Vector 901 Occ=0.000000D+00 E= 2.094673D-01 MO Center= -9.1D-01, 7.2D-01, -1.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 291 0.450545 20 C s 171 0.405811 12 C s 3351 -0.407144 224 C s 3591 -0.401820 240 C s 1251 0.399324 84 C s 1506 0.385020 101 C s 3531 -0.386726 236 C s 3471 -0.361214 232 C s 846 0.349256 57 C s 1521 0.342725 102 C s Vector 902 Occ=0.000000D+00 E= 2.100701D-01 MO Center= 1.1D-01, -3.4D-01, -7.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 996 0.439358 67 C s 1341 0.373543 90 C s 3531 -0.307123 236 C s 606 0.300536 41 C s 681 0.292377 46 C s 3471 -0.283810 232 C s 3366 0.282090 225 C s 3411 -0.277977 228 C s 2151 0.261701 144 C s 2406 -0.262402 161 C s Vector 903 Occ=0.000000D+00 E= 2.102090D-01 MO Center= -4.7D-01, -1.5D-01, -6.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1146 0.452758 77 C s 171 -0.391909 12 C s 1686 0.327074 113 C s 1341 0.304512 90 C s 1191 0.297333 80 C s 786 -0.278542 53 C s 2856 -0.270338 191 C s 741 0.258833 50 C s 6 -0.251785 1 C s 1701 0.232882 114 C s Vector 904 Occ=0.000000D+00 E= 2.108334D-01 MO Center= -1.0D-01, 3.6D-02, -3.0D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1686 0.354222 113 C s 2046 -0.349160 137 C s 291 0.334495 20 C s 996 -0.294967 67 C s 186 -0.287618 13 C s 2466 0.287040 165 C s 1042 0.284207 70 C px 1491 0.276462 100 C s 1866 -0.267823 125 C s 1266 -0.262759 85 C s Vector 905 Occ=0.000000D+00 E= 2.111145D-01 MO Center= 3.2D-01, -3.7D-01, -8.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3486 0.381229 233 C s 1146 0.370743 77 C s 1776 0.362968 119 C s 2886 0.349404 193 C s 2151 -0.325929 144 C s 3411 -0.327450 228 C s 261 -0.323889 18 C s 2676 0.317246 179 C s 891 0.313545 60 C s 486 -0.311916 33 C s Vector 906 Occ=0.000000D+00 E= 2.153862D-01 MO Center= 1.1D-02, -3.1D-01, 1.2D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 696 0.384455 47 C s 1491 0.375174 100 C s 546 0.322494 37 C s 1401 -0.314432 94 C s 2376 -0.310937 159 C s 471 -0.295642 32 C s 2076 -0.296110 139 C s 861 0.294518 58 C s 2886 -0.294865 193 C s 1161 0.288661 78 C s Vector 907 Occ=0.000000D+00 E= 2.158692D-01 MO Center= -5.1D-02, -6.8D-01, 1.1D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 891 0.315962 60 C s 366 -0.302268 25 C s 1026 -0.287164 69 C s 1701 -0.279404 114 C s 1791 -0.278418 120 C s 171 0.275485 12 C s 2211 0.267168 148 C s 981 0.262783 66 C s 186 0.258745 13 C s 2151 -0.255353 144 C s Vector 908 Occ=0.000000D+00 E= 2.166671D-01 MO Center= -5.5D-01, 5.4D-01, 7.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 696 0.407818 47 C s 531 0.395226 36 C s 1521 -0.384635 102 C s 486 0.379936 33 C s 2811 -0.333431 188 C s 1776 0.322426 119 C s 3441 -0.320624 230 C s 2136 0.292654 143 C s 2376 -0.285189 159 C s 1506 0.281235 101 C s Vector 909 Occ=0.000000D+00 E= 2.168004D-01 MO Center= 6.2D-01, 3.8D-01, 4.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 861 0.459126 58 C s 1686 0.417368 113 C s 3471 -0.388465 232 C s 546 0.364788 37 C s 1881 -0.343218 126 C s 2871 -0.333318 192 C s 1596 -0.313654 107 C s 3501 -0.305697 234 C s 2796 -0.296173 187 C s 3561 0.296492 238 C s Vector 910 Occ=0.000000D+00 E= 2.172953D-01 MO Center= 4.2D-01, -1.3D-01, 7.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 876 0.537992 59 C s 1866 0.427575 125 C s 531 0.389407 36 C s 546 0.343854 37 C s 2586 -0.335021 173 C s 1596 0.312345 107 C s 96 -0.302712 7 C s 2061 -0.283005 138 C s 3351 -0.282977 224 C s 1281 -0.279826 86 C s Vector 911 Occ=0.000000D+00 E= 2.210394D-01 MO Center= -8.5D-01, -5.2D-02, -1.4D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2871 0.308233 192 C s 201 0.291079 14 C s 2766 -0.283036 185 C s 2061 0.269413 138 C s 3111 -0.266379 208 C s 3231 -0.267476 216 C s 3456 0.263416 231 C s 2992 -0.261211 200 C px 3022 -0.258469 202 C px 3441 -0.258635 230 C s Vector 912 Occ=0.000000D+00 E= 2.218808D-01 MO Center= 5.0D-01, 2.0D-01, -9.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3576 0.377641 239 C s 3156 -0.368616 211 C s 3216 0.354071 215 C s 1986 -0.335580 133 C s 1566 0.323447 105 C s 1536 0.319226 103 C s 1926 -0.317400 129 C s 1821 -0.309010 122 C s 2976 -0.299860 199 C s 21 0.296746 2 C s Vector 913 Occ=0.000000D+00 E= 2.221664D-01 MO Center= -7.9D-01, -4.6D-02, -1.5D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2556 0.382356 171 C s 3096 0.363777 207 C s 1626 -0.337383 109 C s 2676 -0.335861 179 C s 3488 0.335637 233 C py 3501 0.331311 234 C s 2256 0.314148 151 C s 3036 -0.312732 203 C s 3261 -0.308748 218 C s 3456 0.305818 231 C s Vector 914 Occ=0.000000D+00 E= 2.228307D-01 MO Center= 3.2D-01, -1.3D-01, -2.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3276 -0.361624 219 C s 1971 0.349695 132 C s 2106 0.345303 141 C s 3336 -0.331888 223 C s 1071 0.305868 72 C s 1806 0.294231 121 C s 1824 -0.285333 122 C pz 3081 -0.279153 206 C s 2376 -0.271945 159 C s 1641 -0.266025 110 C s Vector 915 Occ=0.000000D+00 E= 2.241024D-01 MO Center= 2.6D-01, -3.9D-01, 1.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2796 0.348123 187 C s 1401 -0.298159 94 C s 696 0.283589 47 C s 1956 0.275555 131 C s 2706 0.275291 181 C s 636 -0.264673 43 C s 1461 -0.264071 98 C s 741 -0.260532 50 C s 1146 -0.261788 77 C s 2076 -0.257472 139 C s Vector 916 Occ=0.000000D+00 E= 2.247957D-01 MO Center= 2.1D-01, 3.9D-01, -7.9D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2286 0.416421 153 C s 1056 -0.362693 71 C s 2061 0.341032 138 C s 2916 0.329709 195 C s 441 -0.319138 30 C s 3546 0.288538 237 C s 1446 -0.286557 97 C s 2181 0.284158 146 C s 1266 -0.280379 85 C s 906 -0.275532 61 C s Vector 917 Occ=0.000000D+00 E= 2.294850D-01 MO Center= -3.5D-01, 6.3D-01, -2.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 111 0.411492 8 C s 51 0.364037 4 C s 2901 -0.359485 194 C s 1701 0.324168 114 C s 1056 -0.307635 71 C s 3546 -0.307598 237 C s 2496 0.303770 167 C s 2601 -0.298867 174 C s 2016 -0.296914 135 C s 2451 0.298065 164 C s Vector 918 Occ=0.000000D+00 E= 2.299120D-01 MO Center= 1.4D+00, -1.4D-01, -1.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2856 -0.413119 191 C s 1611 0.395641 108 C s 2391 -0.396640 160 C s 1461 0.391054 98 C s 1101 0.387819 74 C s 2901 -0.381837 194 C s 1881 0.376198 126 C s 2361 -0.353712 158 C s 3021 0.349545 202 C s 3576 0.345353 239 C s Vector 919 Occ=0.000000D+00 E= 2.301567D-01 MO Center= -6.3D-01, -1.4D-01, 3.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2646 0.402702 177 C s 456 0.393238 31 C s 1701 0.362966 114 C s 6 0.344997 1 C s 2196 -0.337726 147 C s 3516 0.335595 235 C s 696 -0.328493 47 C s 1161 -0.326319 78 C s 2796 0.323629 187 C s 2091 -0.321864 140 C s Vector 920 Occ=0.000000D+00 E= 2.302504D-01 MO Center= 1.3D-01, -4.2D-01, -3.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1521 0.494171 102 C s 3336 0.439356 223 C s 2436 -0.435744 163 C s 2271 -0.422180 152 C s 1191 0.406088 80 C s 2781 -0.397859 186 C s 2016 -0.394255 135 C s 2376 0.382530 159 C s 936 0.374638 63 C s 3126 0.363516 209 C s Vector 921 Occ=0.000000D+00 E= 2.305343D-01 MO Center= -6.0D-01, 1.5D-01, 3.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3456 0.346350 231 C s 577 -0.314897 39 C px 3441 -0.303036 230 C s 591 0.297786 40 C s 141 -0.291334 10 C s 231 -0.286781 16 C s 1791 0.282712 120 C s 2571 -0.282761 172 C s 3201 0.278567 214 C s 2346 0.269170 157 C s Vector 922 Occ=0.000000D+00 E= 2.308366D-01 MO Center= -3.6D-01, 5.2D-01, 5.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3246 0.418912 217 C s 3291 -0.412809 220 C s 1086 -0.400527 73 C s 186 0.394551 13 C s 171 -0.352559 12 C s 2451 0.352176 164 C s 471 0.345169 32 C s 2076 0.337809 139 C s 1641 0.319646 110 C s 2181 0.318308 146 C s Vector 923 Occ=0.000000D+00 E= 2.313422D-01 MO Center= 2.7D-01, -4.5D-01, 3.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1491 0.462125 100 C s 1911 0.448389 128 C s 66 -0.415894 5 C s 666 0.406258 45 C s 1371 0.404574 92 C s 2211 -0.405118 148 C s 651 -0.391929 44 C s 2916 0.389193 195 C s 486 0.362842 33 C s 996 0.363365 67 C s Vector 924 Occ=0.000000D+00 E= 2.322573D-01 MO Center= -5.4D-01, -9.2D-02, 4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1731 0.442722 116 C s 3471 -0.422868 232 C s 1026 -0.378381 69 C s 3501 -0.372926 234 C s 2946 -0.362956 197 C s 531 -0.351884 36 C s 711 0.353573 48 C s 891 0.349015 60 C s 1161 -0.334455 78 C s 2886 0.328899 193 C s Vector 925 Occ=0.000000D+00 E= 2.341699D-01 MO Center= -3.8D-01, -3.3D-02, 7.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 981 0.350826 66 C s 561 -0.283347 38 C s 426 0.269840 29 C s 3096 -0.247664 207 C s 2301 0.236537 154 C s 1748 0.234447 117 C py 36 -0.232771 3 C s 517 0.233076 35 C px 1251 0.230902 84 C s 2421 -0.230882 162 C s Vector 926 Occ=0.000000D+00 E= 2.357901D-01 MO Center= 4.3D-01, -1.3D-01, 1.4D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1313 -0.258976 88 C py 233 -0.255721 16 C py 681 0.241985 46 C s 21 0.239044 2 C s 593 -0.235474 40 C py 1119 -0.234951 75 C pz 1146 -0.230964 77 C s 713 -0.223455 48 C py 1716 0.222967 115 C s 1478 0.221303 99 C py Vector 927 Occ=0.000000D+00 E= 2.382319D-01 MO Center= 2.9D-01, -4.5D-01, -4.4D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1824 0.278942 122 C pz 1479 0.266444 99 C pz 1326 0.255977 89 C s 3276 -0.250063 219 C s 2886 -0.247925 193 C s 2514 0.240446 168 C pz 129 0.237488 9 C pz 2274 0.216292 152 C pz 2169 -0.207786 145 C pz 1809 0.206683 121 C pz Vector 928 Occ=0.000000D+00 E= 2.383473D-01 MO Center= 4.7D-01, 1.8D-01, 7.9D-03, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 69 0.241583 5 C pz 969 -0.239467 65 C pz 2919 0.232344 195 C pz 2694 -0.219941 180 C pz 2979 0.215209 199 C pz 1404 0.212502 94 C pz 2934 0.210707 196 C pz 2904 0.209645 194 C pz 1854 0.201524 124 C pz 2739 -0.195876 183 C pz Vector 929 Occ=0.000000D+00 E= 2.399616D-01 MO Center= -5.0D-01, 5.1D-01, -1.7D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3591 0.562937 240 C s 2046 0.456294 137 C s 2121 0.430569 142 C s 2151 0.404362 144 C s 2676 0.396879 179 C s 2886 0.396198 193 C s 3531 0.385706 236 C s 3351 0.373712 224 C s 156 -0.359064 11 C s 2436 0.357762 163 C s Vector 930 Occ=0.000000D+00 E= 2.409603D-01 MO Center= 6.6D-01, 1.1D-01, -6.0D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 276 0.445718 19 C s 3411 0.422181 228 C s 3096 -0.396329 207 C s 1011 -0.383518 68 C s 861 0.361051 58 C s 3216 0.344090 215 C s 381 0.336769 26 C s 1521 0.333111 102 C s 2451 0.332936 164 C s 1356 -0.327619 91 C s Vector 931 Occ=0.000000D+00 E= 2.416848D-01 MO Center= -3.4D-01, -7.2D-01, 5.2D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 156 0.531873 11 C s 1131 -0.511844 76 C s 3156 -0.457453 211 C s 3471 0.424406 232 C s 696 0.417956 47 C s 1686 0.350173 113 C s 3036 0.346005 203 C s 2826 -0.343295 189 C s 756 -0.340663 51 C s 216 -0.318423 15 C s Vector 932 Occ=0.000000D+00 E= 2.433673D-01 MO Center= -2.3D-01, 1.2D-01, 1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1251 0.654212 84 C s 1326 0.517865 89 C s 246 -0.508038 17 C s 2931 0.466371 196 C s 201 -0.456567 14 C s 3546 -0.457453 237 C s 156 -0.425963 11 C s 756 -0.424631 51 C s 6 0.406807 1 C s 1266 -0.408497 85 C s Vector 933 Occ=0.000000D+00 E= 2.437860D-01 MO Center= -1.4D-01, 1.4D-01, 1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 681 0.580018 46 C s 846 -0.534301 57 C s 1131 0.513857 76 C s 231 -0.473411 16 C s 606 0.452949 41 C s 1746 -0.436442 117 C s 1011 -0.429968 68 C s 2841 0.425258 190 C s 3306 -0.425621 221 C s 3486 0.410312 233 C s Vector 934 Occ=0.000000D+00 E= 2.441627D-01 MO Center= 3.5D-01, -3.9D-01, 1.0D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1926 0.577041 129 C s 561 0.524721 38 C s 2601 -0.506297 174 C s 2106 -0.467495 141 C s 501 0.460824 34 C s 726 0.412950 49 C s 3366 -0.397091 225 C s 171 -0.387194 12 C s 2616 0.377985 175 C s 906 0.374680 61 C s Vector 935 Occ=0.000000D+00 E= 2.447351D-01 MO Center= 2.4D-01, -8.1D-02, 9.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1281 0.593631 86 C s 1116 0.522496 75 C s 1176 -0.476525 79 C s 921 0.442062 62 C s 1161 -0.419812 78 C s 726 -0.404355 49 C s 1536 0.402413 103 C s 1566 0.394316 105 C s 2406 -0.390081 161 C s 291 -0.386532 20 C s Vector 936 Occ=0.000000D+00 E= 2.454026D-01 MO Center= -7.4D-02, 3.8D-01, 1.0D+00, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 321 0.471302 22 C s 1206 0.472022 81 C s 1626 0.437463 109 C s 1146 -0.418410 77 C s 2061 -0.413885 138 C s 1176 0.408962 79 C s 1836 0.399746 123 C s 1416 -0.394249 95 C s 2616 -0.383904 175 C s 1656 0.381886 111 C s Vector 937 Occ=0.000000D+00 E= 2.487320D-01 MO Center= -3.2D-02, 1.3D-01, 1.4D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 141 0.558010 10 C s 6 -0.480456 1 C s 411 -0.473958 28 C s 1191 -0.474991 80 C s 306 0.469384 21 C s 906 0.469501 61 C s 1266 0.463267 85 C s 1296 -0.450919 87 C s 1101 -0.446799 74 C s 606 -0.436780 41 C s Vector 938 Occ=0.000000D+00 E= 2.510429D-01 MO Center= 1.1D-01, 7.2D-01, 4.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 351 0.573937 24 C s 2946 0.549260 197 C s 2736 -0.514169 183 C s 111 -0.506310 8 C s 231 -0.493847 16 C s 711 0.489199 48 C s 216 -0.447261 15 C s 456 0.438744 31 C s 591 0.426699 40 C s 126 0.423474 9 C s Vector 939 Occ=0.000000D+00 E= 2.533609D-01 MO Center= -1.2D-02, -6.8D-01, 4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1221 0.561212 82 C s 951 0.529178 64 C s 1386 -0.522273 93 C s 1311 -0.518365 88 C s 2211 0.513065 148 C s 2316 -0.482437 155 C s 3516 -0.449420 235 C s 1461 0.431091 98 C s 786 0.425561 53 C s 1296 -0.414487 87 C s Vector 940 Occ=0.000000D+00 E= 2.542622D-01 MO Center= 1.1D-02, -1.6D-01, 1.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1371 0.562679 92 C s 2166 -0.526151 145 C s 336 -0.495201 23 C s 636 0.488356 43 C s 1941 -0.444673 130 C s 2916 -0.445299 195 C s 471 0.438132 32 C s 96 -0.411836 7 C s 126 0.405454 9 C s 1401 -0.405397 94 C s Vector 941 Occ=0.000000D+00 E= 2.546552D-01 MO Center= -4.8D-02, -5.5D-02, -2.1D-03, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 936 0.589912 63 C s 2271 0.503177 152 C s 771 -0.499669 52 C s 1446 -0.496435 97 C s 2286 -0.480369 153 C s 801 0.474146 54 C s 36 0.453261 3 C s 2481 -0.451091 166 C s 1911 -0.435811 128 C s 3261 -0.424727 218 C s Vector 942 Occ=0.000000D+00 E= 2.579191D-01 MO Center= -1.8D-02, 1.8D-01, -2.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1866 0.487150 125 C s 1521 0.470256 102 C s 1506 -0.442984 101 C s 2016 0.428445 135 C s 1611 -0.423040 108 C s 2976 -0.414617 199 C s 486 -0.409520 33 C s 1041 -0.402952 70 C s 2121 -0.401780 142 C s 2076 -0.397332 139 C s Vector 943 Occ=0.000000D+00 E= 2.582415D-01 MO Center= 2.9D-02, -2.9D-01, -2.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1791 0.533591 120 C s 1686 0.504046 113 C s 2646 0.456970 177 C s 1776 -0.438415 119 C s 891 -0.435405 60 C s 2241 0.435620 150 C s 186 0.424025 13 C s 261 -0.423653 18 C s 1956 -0.418758 131 C s 1881 -0.415511 126 C s Vector 944 Occ=0.000000D+00 E= 2.596320D-01 MO Center= -1.5D-01, 1.0D-01, 4.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 157 0.282509 11 C px 577 0.255537 39 C px 592 0.251688 40 C px 518 0.239988 35 C py 3577 0.234488 239 C px 232 0.232854 16 C px 202 0.223817 14 C px 3322 0.224427 222 C px 397 0.216725 27 C px 1881 -0.216936 126 C s Vector 945 Occ=0.000000D+00 E= 2.610378D-01 MO Center= -2.6D-02, -1.1D-01, -7.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2676 0.580605 179 C s 2046 0.576984 137 C s 2466 0.577371 165 C s 2151 0.558188 144 C s 2886 0.559616 193 C s 1341 -0.490267 90 C s 3546 0.463352 237 C s 1146 -0.456285 77 C s 3306 0.453491 221 C s 3486 0.450530 233 C s Vector 946 Occ=0.000000D+00 E= 2.620794D-01 MO Center= -1.3D-02, -1.6D-02, 6.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 248 0.270892 17 C py 503 0.269499 34 C py 563 0.251446 38 C py 278 0.245143 19 C py 444 0.240141 30 C pz 2499 0.239459 167 C pz 1478 0.222061 99 C py 143 0.219406 10 C py 2559 0.216234 171 C pz 2484 0.214657 166 C pz Vector 947 Occ=0.000000D+00 E= 2.637439D-01 MO Center= 1.4D-01, -5.5D-03, 5.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2919 -0.244720 195 C pz 639 0.242944 43 C pz 1449 -0.239939 97 C pz 1374 0.229248 92 C pz 2274 0.226168 152 C pz 1177 0.210739 79 C px 1282 0.210031 86 C px 67 0.205035 5 C px 788 -0.204632 53 C py 2709 0.199356 181 C pz Vector 948 Occ=0.000000D+00 E= 2.797803D-01 MO Center= -2.6D-01, 5.5D-03, -5.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3411 -0.638146 228 C s 261 0.596132 18 C s 3351 0.586723 224 C s 291 -0.569287 20 C s 2646 -0.571776 177 C s 546 0.538768 37 C s 3471 0.531857 232 C s 2436 0.528864 163 C s 2676 0.530729 179 C s 381 -0.524577 26 C s Vector 949 Occ=0.000000D+00 E= 2.803474D-01 MO Center= 4.4D-01, 5.3D-01, -5.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2016 0.571285 135 C s 2886 0.565593 193 C s 3531 -0.556853 236 C s 2856 -0.551777 191 C s 1416 -0.537607 95 C s 2451 0.527859 164 C s 891 0.524376 60 C s 3591 0.520112 240 C s 1146 -0.506334 77 C s 1161 0.508638 78 C s Vector 950 Occ=0.000000D+00 E= 2.809374D-01 MO Center= -1.2D-02, -4.5D-02, -9.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2136 -0.487138 143 C s 891 0.454265 60 C s 996 -0.421769 67 C s 2376 -0.415037 159 C s 2151 0.409785 144 C s 1521 0.404685 102 C s 1941 -0.395281 130 C s 3591 0.396509 240 C s 1776 0.380533 119 C s 2856 -0.374474 191 C s Vector 951 Occ=0.000000D+00 E= 2.814672D-01 MO Center= 1.4D-01, -1.1D-01, -1.1D+00, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2661 0.523380 178 C s 3471 -0.493733 232 C s 2121 0.478156 142 C s 981 -0.459977 66 C s 2061 -0.456579 138 C s 2046 0.449172 137 C s 1851 -0.431934 124 C s 486 -0.421080 33 C s 1341 -0.422221 90 C s 3141 0.388406 210 C s Vector 952 Occ=0.000000D+00 E= 2.823928D-01 MO Center= -8.8D-01, -1.8D-01, -5.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2151 0.435722 144 C s 2376 -0.425284 159 C s 3111 0.396215 208 C s 1956 0.388349 131 C s 2871 0.372843 192 C s 1596 -0.351798 107 C s 2436 0.337899 163 C s 2451 -0.337345 164 C s 3531 0.336427 236 C s 1506 -0.330541 101 C s Vector 953 Occ=0.000000D+00 E= 2.826285D-01 MO Center= 5.5D-01, -3.2D-01, -4.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3351 0.479059 224 C s 696 -0.423026 47 C s 3591 -0.416107 240 C s 1461 0.369193 98 C s 876 0.363918 59 C s 1071 -0.354443 72 C s 2496 0.325632 167 C s 3456 0.313270 231 C s 2031 -0.294263 136 C s 1491 0.290177 100 C s Vector 954 Occ=0.000000D+00 E= 2.837483D-01 MO Center= 1.7D-01, -3.8D-02, -9.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1956 0.514027 131 C s 1971 -0.499587 132 C s 1776 0.490250 119 C s 1596 -0.450017 107 C s 1791 -0.429516 120 C s 2031 0.402833 136 C s 2376 -0.398117 159 C s 3291 -0.397917 220 C s 2601 0.374228 174 C s 2181 -0.371337 146 C s Vector 955 Occ=0.000000D+00 E= 2.839803D-01 MO Center= 1.8D-01, -5.0D-02, -8.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2061 0.550497 138 C s 1686 -0.498207 113 C s 2796 -0.498893 187 C s 2811 0.499075 188 C s 3051 0.497994 204 C s 1881 -0.481725 126 C s 2046 -0.459956 137 C s 3171 -0.449056 212 C s 1506 0.434678 101 C s 2076 -0.426501 139 C s Vector 956 Occ=0.000000D+00 E= 2.892761D-01 MO Center= -3.0D-01, 3.4D-01, -6.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3081 0.341673 206 C s 3006 -0.337830 201 C s 1926 0.332906 129 C s 3442 -0.311546 230 C px 1881 -0.291962 126 C s 518 -0.283319 35 C py 2901 0.280276 194 C s 1223 0.273496 82 C py 1566 0.268415 105 C s 3503 0.267661 234 C py Vector 957 Occ=0.000000D+00 E= 2.909159D-01 MO Center= 1.7D-01, -2.9D-01, -8.9D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1431 0.546858 96 C s 2481 0.503752 166 C s 1746 0.471754 117 C s 516 0.464034 35 C s 3111 0.446161 208 C s 2766 0.439063 185 C s 2151 0.416287 144 C s 621 -0.401347 42 C s 231 -0.384136 16 C s 2466 -0.371626 165 C s Vector 958 Occ=0.000000D+00 E= 2.915135D-01 MO Center= -2.6D-01, 4.3D-01, -3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2886 0.508178 193 C s 426 0.495954 29 C s 201 0.481633 14 C s 2976 0.469730 199 C s 2901 -0.465596 194 C s 3231 0.445779 216 C s 3096 0.440073 207 C s 3036 -0.431972 203 C s 2271 0.427479 152 C s 2046 -0.424133 137 C s Vector 959 Occ=0.000000D+00 E= 2.928425D-01 MO Center= 4.9D-01, 3.5D-01, -3.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 936 0.527948 63 C s 2721 0.415692 182 C s 3291 -0.417140 220 C s 3576 0.401207 239 C s 471 -0.394691 32 C s 3066 0.392789 205 C s 231 0.376982 16 C s 1641 -0.375995 110 C s 1221 -0.374086 82 C s 3381 -0.375098 226 C s Vector 960 Occ=0.000000D+00 E= 2.930043D-01 MO Center= -4.6D-01, -1.9D-01, -2.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3441 -0.480697 230 C s 2196 0.458652 147 C s 96 0.455792 7 C s 3456 0.454997 231 C s 786 -0.409978 53 C s 1656 -0.389668 111 C s 306 -0.367983 21 C s 1791 -0.348599 120 C s 3246 0.347798 217 C s 2976 0.337355 199 C s Vector 961 Occ=0.000000D+00 E= 2.940373D-01 MO Center= -2.2D-01, -2.9D-02, -5.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1701 0.494286 114 C s 1566 0.476029 105 C s 1536 0.473202 103 C s 2511 0.427889 168 C s 906 0.403339 61 C s 1746 -0.403979 117 C s 111 0.393508 8 C s 2241 0.393825 150 C s 1716 -0.389434 115 C s 3396 0.379012 227 C s Vector 962 Occ=0.000000D+00 E= 2.954017D-01 MO Center= -2.3D-01, 1.4D-01, 4.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 246 0.605291 17 C s 1116 0.547825 75 C s 2946 -0.488249 197 C s 561 -0.482015 38 C s 3201 -0.466630 214 C s 2991 -0.461819 200 C s 741 -0.455081 50 C s 2106 -0.454646 141 C s 1266 -0.431005 85 C s 861 0.418217 58 C s Vector 963 Occ=0.000000D+00 E= 2.958858D-01 MO Center= 2.6D-02, -5.5D-02, 2.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 876 -0.530367 59 C s 1026 -0.518178 69 C s 141 0.502345 10 C s 396 -0.491343 27 C s 1611 -0.473758 108 C s 2211 -0.465677 148 C s 771 -0.458456 52 C s 216 -0.452955 15 C s 2736 0.445176 183 C s 3486 0.447318 233 C s Vector 964 Occ=0.000000D+00 E= 2.968993D-01 MO Center= 4.1D-01, -1.6D-01, 8.7D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 696 -0.486576 47 C s 306 0.481351 21 C s 846 0.475422 57 C s 2256 0.471662 151 C s 3546 0.472057 237 C s 1206 -0.457704 81 C s 1251 0.450603 84 C s 1941 -0.447169 130 C s 3021 0.435405 202 C s 276 -0.430982 19 C s Vector 965 Occ=0.000000D+00 E= 2.977316D-01 MO Center= 1.2D-01, -8.4D-01, 4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1296 0.468316 87 C s 936 0.442162 63 C s 726 0.410090 49 C s 531 0.398864 36 C s 2736 0.395574 183 C s 711 -0.390243 48 C s 1221 -0.374567 82 C s 81 0.354369 6 C s 1176 0.349278 79 C s 1011 0.341641 68 C s Vector 966 Occ=0.000000D+00 E= 2.979725D-01 MO Center= 1.4D-01, -1.2D-01, -9.2D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3501 0.560360 234 C s 1866 0.442419 125 C s 2421 0.438351 162 C s 2361 0.425153 158 C s 2586 -0.424244 173 C s 2016 0.413852 135 C s 3306 0.415040 221 C s 906 0.407850 61 C s 2316 0.408450 155 C s 3141 0.405272 210 C s Vector 967 Occ=0.000000D+00 E= 3.001294D-01 MO Center= -1.3D-01, -2.0D-01, 3.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 861 0.540499 58 C s 2391 -0.515313 160 C s 1236 0.491855 83 C s 381 0.472628 26 C s 2871 -0.461641 192 C s 366 0.441423 25 C s 3426 -0.442441 229 C s 2196 0.434754 147 C s 1491 0.430652 100 C s 2031 0.429288 136 C s Vector 968 Occ=0.000000D+00 E= 3.007911D-01 MO Center= -4.4D-01, 2.4D-01, 7.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 546 0.655104 37 C s 591 -0.510259 40 C s 2091 -0.444602 140 C s 2001 -0.438408 134 C s 3411 0.437052 228 C s 2316 -0.417324 155 C s 1311 -0.410810 88 C s 381 -0.406402 26 C s 2451 0.392286 164 C s 36 -0.389517 3 C s Vector 969 Occ=0.000000D+00 E= 3.027216D-01 MO Center= 7.3D-02, 7.4D-01, 8.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 696 0.554330 47 C s 1416 0.523498 95 C s 486 0.495082 33 C s 2661 0.487889 178 C s 261 -0.484641 18 C s 516 0.480885 35 C s 2376 0.460400 159 C s 2076 0.455177 139 C s 1521 0.418658 102 C s 1866 0.415136 125 C s Vector 970 Occ=0.000000D+00 E= 3.036786D-01 MO Center= 6.0D-02, -3.9D-01, 9.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 531 0.580361 36 C s 2136 0.575452 143 C s 261 0.536974 18 C s 891 0.536801 60 C s 2811 0.496843 188 C s 1161 -0.493104 78 C s 2061 -0.464973 138 C s 1791 0.450119 120 C s 1761 0.431112 118 C s 3471 0.429606 232 C s Vector 971 Occ=0.000000D+00 E= 3.075960D-01 MO Center= -1.9D-01, 1.2D-01, 9.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 66 0.474053 5 C s 141 0.468509 10 C s 471 0.457437 32 C s 1266 0.458692 85 C s 1446 -0.456955 97 C s 171 0.453913 12 C s 306 0.446345 21 C s 2271 -0.413060 152 C s 906 0.407722 61 C s 996 0.408447 67 C s Vector 972 Occ=0.000000D+00 E= 3.093472D-01 MO Center= -6.4D-01, -7.5D-01, 3.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2181 0.517990 146 C s 441 0.460876 30 C s 1401 -0.461440 94 C s 6 -0.441224 1 C s 501 0.422665 34 C s 411 -0.407869 28 C s 1146 -0.389009 77 C s 2496 0.386975 167 C s 1341 -0.371610 90 C s 1296 0.366323 87 C s Vector 973 Occ=0.000000D+00 E= 3.105185D-01 MO Center= 8.7D-01, 7.4D-01, 6.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2916 0.565941 195 C s 1191 -0.510636 80 C s 1101 -0.491312 74 C s 2706 0.479734 181 C s 366 -0.470379 25 C s 1176 0.470575 79 C s 126 -0.466608 9 C s 291 -0.461638 20 C s 606 -0.439079 41 C s 816 0.435954 55 C s Vector 974 Occ=0.000000D+00 E= 3.114072D-01 MO Center= 3.0D-02, 4.3D-02, 3.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3006 -0.440284 201 C s 3186 0.440144 213 C s 786 0.434140 53 C s 2286 0.399927 153 C s 3321 0.389863 222 C s 351 -0.377492 24 C s 711 0.374441 48 C s 1221 -0.374283 82 C s 726 -0.371733 49 C s 1116 -0.371937 75 C s Vector 975 Occ=0.000000D+00 E= 3.221706D-01 MO Center= 1.2D-01, 4.9D-02, -1.4D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 891 0.698242 60 C s 291 0.653829 20 C s 1416 0.631709 95 C s 1341 -0.618941 90 C s 2016 0.607960 135 C s 2136 0.591293 143 C s 486 -0.568586 33 C s 1866 -0.570217 125 C s 2646 -0.537769 177 C s 261 -0.528830 18 C s Vector 976 Occ=0.000000D+00 E= 3.231890D-01 MO Center= 1.1D-01, -1.1D-01, -2.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1146 -0.693570 77 C s 171 0.673165 12 C s 1161 0.600444 78 C s 186 -0.595997 13 C s 1491 0.598184 100 C s 2856 0.566947 191 C s 2226 -0.560454 149 C s 2466 0.532880 165 C s 2886 -0.532316 193 C s 2031 0.513918 136 C s Vector 977 Occ=0.000000D+00 E= 3.246263D-01 MO Center= 2.2D-01, 4.2D-01, -1.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1776 0.606323 119 C s 1881 0.608920 126 C s 1971 0.594115 132 C s 2331 -0.597081 156 C s 1686 -0.585744 113 C s 921 -0.580652 62 C s 546 -0.571023 37 C s 1956 -0.572944 131 C s 531 0.566277 36 C s 1791 -0.568191 120 C s Vector 978 Occ=0.000000D+00 E= 3.254581D-01 MO Center= -4.9D-01, -1.7D-01, -3.0D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1596 0.706484 107 C s 1521 0.678971 102 C s 1611 -0.676008 108 C s 1506 -0.653158 101 C s 876 0.648242 59 C s 2601 0.639591 174 C s 2376 0.621035 159 C s 861 -0.579910 58 C s 3591 0.566750 240 C s 2586 -0.553915 173 C s Vector 979 Occ=0.000000D+00 E= 3.300379D-01 MO Center= 6.4D-02, -2.0D-02, -8.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3246 -0.542664 217 C s 2991 -0.529240 200 C s 2256 0.520691 151 C s 3141 -0.494429 210 C s 3171 -0.471428 212 C s 1851 0.466129 124 C s 3066 0.467661 205 C s 1551 0.445936 104 C s 3126 0.442787 209 C s 3051 0.436170 204 C s Vector 980 Occ=0.000000D+00 E= 3.303706D-01 MO Center= -1.8D-01, -1.9D-02, -8.2D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3006 -0.548135 201 C s 2361 0.542333 158 C s 3111 0.496181 208 C s 1761 0.477813 118 C s 3201 -0.465568 214 C s 3081 0.452598 206 C s 3186 0.445576 213 C s 2571 -0.435106 172 C s 1641 -0.432615 110 C s 771 0.427211 52 C s Vector 981 Occ=0.000000D+00 E= 3.307420D-01 MO Center= 1.5D-01, -4.2D-02, -1.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3441 0.554113 230 C s 3381 0.513049 226 C s 3501 0.512690 234 C s 591 -0.485013 40 C s 3336 -0.477630 223 C s 3396 -0.450485 227 C s 1221 -0.440749 82 C s 1296 -0.435966 87 C s 711 -0.427912 48 C s 3321 0.420363 222 C s Vector 982 Occ=0.000000D+00 E= 3.370149D-01 MO Center= 2.7D-01, -9.8D-02, -1.7D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 486 0.484688 33 C s 3381 -0.444700 226 C s 261 0.432261 18 C s 2166 -0.398731 145 C s 531 -0.387039 36 C s 186 -0.380762 13 C s 381 -0.378605 26 C s 291 -0.372340 20 C s 546 0.369836 37 C s 471 0.361760 32 C s Vector 983 Occ=0.000000D+00 E= 3.380755D-01 MO Center= -4.4D-02, -1.9D-02, -1.5D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1341 0.509871 90 C s 666 0.479629 45 C s 801 0.461639 54 C s 2901 -0.458474 194 C s 876 -0.447112 59 C s 891 0.437722 60 C s 1416 -0.434019 95 C s 1491 -0.423851 100 C s 861 0.416852 58 C s 3336 -0.417002 223 C s Vector 984 Occ=0.000000D+00 E= 3.405200D-01 MO Center= -3.3D-01, -5.2D-02, 4.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2181 0.584104 146 C s 201 -0.555152 14 C s 366 0.542105 25 C s 306 -0.533479 21 C s 3456 -0.534092 231 C s 6 0.517301 1 C s 1086 0.511802 73 C s 726 -0.495168 49 C s 516 0.488083 35 C s 1401 -0.489121 94 C s Vector 985 Occ=0.000000D+00 E= 3.417434D-01 MO Center= 3.1D-01, 3.7D-01, -2.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 126 0.554363 9 C s 2736 0.512818 183 C s 2526 0.506800 169 C s 1191 -0.500113 80 C s 2946 0.489889 197 C s 366 0.482974 25 C s 1671 -0.460087 112 C s 1701 0.443523 114 C s 351 -0.429162 24 C s 1581 -0.413507 106 C s Vector 986 Occ=0.000000D+00 E= 3.424699D-01 MO Center= -1.8D-02, -3.9D-01, 6.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1281 0.638911 86 C s 966 0.586780 65 C s 411 -0.578452 28 C s 711 -0.576723 48 C s 906 -0.518452 61 C s 471 0.509239 32 C s 1116 0.494979 75 C s 3561 0.485541 238 C s 2271 -0.463917 152 C s 141 0.460397 10 C s Vector 987 Occ=0.000000D+00 E= 3.458986D-01 MO Center= -6.0D-01, -1.6D-01, -4.9D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3051 -0.361262 204 C s 741 0.332805 50 C s 3141 -0.334218 210 C s 3066 0.323727 205 C s 3218 -0.308983 215 C py 804 -0.303506 54 C pz 1341 -0.302386 90 C s 1101 -0.289279 74 C s 3098 -0.288450 207 C py 441 -0.270087 30 C s Vector 988 Occ=0.000000D+00 E= 3.466192D-01 MO Center= -4.1D-01, -1.9D-02, -5.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 141 0.389407 10 C s 411 -0.387205 28 C s 3261 -0.354110 218 C s 1881 0.350473 126 C s 2286 0.340675 153 C s 3157 -0.338714 211 C px 996 0.336993 67 C s 306 0.311375 21 C s 3231 0.304452 216 C s 1056 0.301781 71 C s Vector 989 Occ=0.000000D+00 E= 3.482427D-01 MO Center= 8.1D-01, -1.9D-01, 6.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2151 -0.417295 144 C s 1446 0.390702 97 C s 2121 0.389993 142 C s 2046 0.384139 137 C s 1851 -0.375528 124 C s 2031 -0.376888 136 C s 2511 0.361885 168 C s 1551 -0.347611 104 C s 171 0.335830 12 C s 2436 -0.333417 163 C s Vector 990 Occ=0.000000D+00 E= 3.483438D-01 MO Center= -5.4D-01, 4.4D-01, 6.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 501 0.434568 34 C s 2676 -0.418230 179 C s 2646 0.399019 177 C s 2886 0.398683 193 C s 1146 0.391881 77 C s 216 -0.380222 15 C s 36 0.369233 3 C s 2931 0.370909 196 C s 291 -0.356160 20 C s 2856 -0.335472 191 C s Vector 991 Occ=0.000000D+00 E= 3.497344D-01 MO Center= 5.8D-01, 8.1D-02, -5.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2721 0.581696 182 C s 906 -0.512467 61 C s 2796 -0.501038 187 C s 1686 0.493961 113 C s 1071 -0.485033 72 C s 3081 0.471390 206 C s 1596 0.455658 107 C s 2376 -0.454394 159 C s 3021 0.451541 202 C s 1461 -0.447994 98 C s Vector 992 Occ=0.000000D+00 E= 3.543906D-01 MO Center= -1.8D-01, 4.8D-01, -1.3D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3306 0.734575 221 C s 3546 -0.627396 237 C s 2331 0.554225 156 C s 696 -0.547038 47 C s 546 0.507760 37 C s 2961 -0.504691 198 C s 3036 0.504674 203 C s 3366 -0.486504 225 C s 2556 0.477762 171 C s 426 0.443212 29 C s Vector 993 Occ=0.000000D+00 E= 3.546186D-01 MO Center= 4.3D-01, -7.6D-01, -1.2D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3486 0.661604 233 C s 3426 -0.592139 229 C s 861 -0.565809 58 C s 2751 -0.542646 184 C s 3156 -0.526602 211 C s 531 0.486094 36 C s 2346 -0.472523 157 C s 2781 0.470912 186 C s 2631 -0.460033 176 C s 2541 0.454651 170 C s Vector 994 Occ=0.000000D+00 E= 3.565198D-01 MO Center= 1.2D-01, 7.9D-01, -2.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1926 0.666449 129 C s 3276 0.628691 219 C s 2826 0.586161 189 C s 2346 -0.539248 157 C s 1566 0.523729 105 C s 2631 -0.520038 176 C s 1986 0.514026 133 C s 1491 0.477625 100 C s 1896 -0.475183 127 C s 2046 -0.472316 137 C s Vector 995 Occ=0.000000D+00 E= 3.571443D-01 MO Center= 2.7D-01, -5.3D-01, 1.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1836 0.667460 123 C s 2421 -0.550883 162 C s 1746 0.533072 117 C s 2541 -0.523274 170 C s 2616 0.524277 175 C s 2976 -0.521178 199 C s 486 0.461775 33 C s 2676 -0.444531 179 C s 1791 -0.439591 120 C s 3036 0.421835 203 C s Vector 996 Occ=0.000000D+00 E= 3.584163D-01 MO Center= -8.0D-01, -7.4D-02, 6.5D-03, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1656 0.697541 111 C s 2091 0.548028 140 C s 1746 0.515089 117 C s 2001 -0.503147 134 C s 2466 -0.487400 165 C s 2106 -0.481842 141 C s 2556 -0.465173 171 C s 2766 -0.462774 185 C s 2406 0.458460 161 C s 186 0.442603 13 C s Vector 997 Occ=0.000000D+00 E= 3.640595D-01 MO Center= -5.6D-01, -3.0D-01, 1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 681 0.686702 46 C s 1251 -0.630456 84 C s 756 -0.581251 51 C s 1131 0.582318 76 C s 1326 -0.564956 89 C s 81 0.515523 6 C s 1011 0.487653 68 C s 1926 -0.473844 129 C s 2751 0.450254 184 C s 1116 -0.423505 75 C s Vector 998 Occ=0.000000D+00 E= 3.648665D-01 MO Center= 2.2D-01, 2.5D-01, 6.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 921 0.827853 62 C s 21 -0.748960 2 C s 756 -0.666221 51 C s 1431 0.642104 96 C s 1476 0.577857 99 C s 1626 0.549996 109 C s 2556 0.546509 171 C s 81 -0.540800 6 C s 3366 -0.511360 225 C s 1806 -0.502057 121 C s Vector 999 Occ=0.000000D+00 E= 3.662135D-01 MO Center= -3.3D-02, -5.8D-01, 6.6D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1356 0.971508 91 C s 621 -0.686641 42 C s 1716 -0.671481 115 C s 846 0.621290 57 C s 321 -0.591686 22 C s 2241 0.579592 150 C s 1086 0.564514 73 C s 3306 0.520092 221 C s 1101 -0.508033 74 C s 1176 0.497126 79 C s Vector 1000 Occ=0.000000D+00 E= 3.676823D-01 MO Center= 7.1D-02, 7.0D-02, 1.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1536 0.658060 103 C s 3156 0.616924 211 C s 276 0.575803 19 C s 3036 0.568041 203 C s 1161 0.531862 78 C s 2826 -0.526186 189 C s 81 -0.523227 6 C s 291 -0.488031 20 C s 2226 -0.476623 149 C s 2631 0.477435 176 C s Vector 1001 Occ=0.000000D+00 E= 3.682490D-01 MO Center= 5.4D-01, 1.7D-01, 6.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 321 0.829697 22 C s 1896 -0.651013 127 C s 561 0.646128 38 C s 3096 -0.623725 207 C s 156 -0.589757 11 C s 2541 0.566782 170 C s 201 0.562334 14 C s 2421 -0.551839 162 C s 336 -0.548049 23 C s 576 -0.519747 39 C s Vector 1002 Occ=0.000000D+00 E= 3.733341D-01 MO Center= 5.5D-03, 3.3D-01, 2.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 561 0.815274 38 C s 3366 -0.742574 225 C s 621 0.664519 42 C s 2391 0.635211 160 C s 426 -0.586560 29 C s 2841 -0.587094 190 C s 321 -0.581059 22 C s 276 -0.538764 19 C s 3486 0.533928 233 C s 981 0.510656 66 C s Vector 1003 Occ=0.000000D+00 E= 3.741140D-01 MO Center= -2.3D-01, -1.6D-01, 1.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1041 0.680603 70 C s 3426 -0.680045 229 C s 81 0.672702 6 C s 576 0.667298 39 C s 3306 0.654309 221 C s 681 -0.626194 46 C s 3531 0.615828 236 C s 2421 -0.608807 162 C s 861 -0.581367 58 C s 2556 -0.581970 171 C s Vector 1004 Occ=0.000000D+00 E= 3.752773D-01 MO Center= -3.1D-01, -1.7D-01, 3.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1326 0.688824 89 C s 2661 0.675427 178 C s 2106 0.643656 141 C s 2631 0.641848 176 C s 1011 0.637153 68 C s 1971 -0.638343 132 C s 2601 -0.601922 174 C s 276 0.573593 19 C s 996 -0.573680 67 C s 1716 -0.571243 115 C s Vector 1005 Occ=0.000000D+00 E= 3.757722D-01 MO Center= -1.8D-01, 1.5D-01, -2.8D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1341 0.744647 90 C s 921 0.689557 62 C s 2046 -0.681104 137 C s 3546 -0.678581 237 C s 1881 -0.674617 126 C s 2061 0.668828 138 C s 1251 0.651133 84 C s 2346 -0.606492 157 C s 2646 -0.594723 177 C s 1626 0.582862 109 C s Vector 1006 Occ=0.000000D+00 E= 3.775464D-01 MO Center= 1.9D-03, -2.5D-02, -4.1D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3411 0.729058 228 C s 1791 -0.702581 120 C s 171 0.656778 12 C s 1956 0.655699 131 C s 3471 -0.624482 232 C s 2016 -0.598768 135 C s 2841 -0.560099 190 C s 291 -0.549965 20 C s 1356 0.546370 91 C s 186 -0.543094 13 C s Vector 1007 Occ=0.000000D+00 E= 3.792210D-01 MO Center= -3.7D-01, 2.3D-01, -5.4D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3321 0.638247 222 C s 1161 0.623427 78 C s 2316 -0.601366 155 C s 3456 -0.574184 231 C s 1311 -0.570632 88 C s 591 0.553362 40 C s 3576 -0.544749 239 C s 1221 0.537517 82 C s 2301 0.536420 154 C s 3246 0.530296 217 C s Vector 1008 Occ=0.000000D+00 E= 3.807634D-01 MO Center= 4.8D-01, 3.2D-01, -9.0D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3006 0.669444 201 C s 2946 -0.641395 197 C s 1101 0.632785 74 C s 3021 -0.628434 202 C s 3336 -0.618512 223 C s 1506 -0.577008 101 C s 1596 0.577394 107 C s 2526 -0.547897 169 C s 696 -0.522743 47 C s 1371 -0.509996 92 C s Vector 1009 Occ=0.000000D+00 E= 3.812469D-01 MO Center= -1.6D-01, 2.5D-01, 8.5D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 336 0.736280 23 C s 861 0.732409 58 C s 876 -0.583154 59 C s 3186 -0.571890 213 C s 1776 -0.563187 119 C s 3546 0.543960 237 C s 3486 -0.523633 233 C s 6 0.520858 1 C s 3516 0.500594 235 C s 2181 -0.469573 146 C s Vector 1010 Occ=0.000000D+00 E= 3.819300D-01 MO Center= 1.7D-02, -1.8D-01, 9.0D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1446 0.616495 97 C s 2361 0.615189 158 C s 636 -0.552897 43 C s 3231 -0.551318 216 C s 1206 0.538383 81 C s 2301 0.517005 154 C s 3501 0.516724 234 C s 951 -0.504487 64 C s 531 -0.501689 36 C s 1281 -0.485136 86 C s Vector 1011 Occ=0.000000D+00 E= 3.820649D-01 MO Center= -6.6D-02, -2.0D-01, -6.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1881 0.584880 126 C s 441 0.579563 30 C s 3051 -0.578831 204 C s 2511 -0.560824 168 C s 2781 0.556153 186 C s 696 0.550658 47 C s 3321 0.519159 222 C s 1791 -0.495957 120 C s 3111 0.488910 208 C s 1956 0.478668 131 C s Vector 1012 Occ=0.000000D+00 E= 3.825149D-01 MO Center= 2.8D-01, 7.1D-02, -4.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3576 0.677363 239 C s 3561 0.547910 238 C s 816 -0.538393 55 C s 936 0.535525 63 C s 2286 -0.533968 153 C s 2736 0.535530 183 C s 3291 -0.491241 220 C s 2721 -0.481749 182 C s 1056 0.477046 71 C s 1491 0.470382 100 C s Vector 1013 Occ=0.000000D+00 E= 3.828865D-01 MO Center= 5.4D-03, -1.9D-01, -3.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3396 -0.715685 227 C s 3066 0.664500 205 C s 546 -0.647504 37 C s 216 0.639280 15 C s 2481 0.633080 166 C s 3171 -0.621839 212 C s 36 -0.599876 3 C s 2196 0.602772 147 C s 351 -0.592348 24 C s 771 -0.556264 52 C s Vector 1014 Occ=0.000000D+00 E= 3.842239D-01 MO Center= 8.3D-02, -2.5D-02, -3.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 291 0.680815 20 C s 1146 0.656907 77 C s 1491 -0.636210 100 C s 2676 -0.617140 179 C s 486 -0.591852 33 C s 2466 -0.583413 165 C s 891 -0.570866 60 C s 1536 0.568041 103 C s 171 0.564769 12 C s 1026 -0.554898 69 C s Vector 1015 Occ=0.000000D+00 E= 3.852966D-01 MO Center= -2.2D-02, 1.7D-02, -3.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1731 0.704346 116 C s 1851 -0.695398 124 C s 1551 -0.672817 104 C s 66 0.661907 5 C s 366 -0.660311 25 C s 1401 0.622291 94 C s 3021 0.586544 202 C s 2991 -0.576533 200 C s 1686 -0.544148 113 C s 1671 0.539225 112 C s Vector 1016 Occ=0.000000D+00 E= 3.857558D-01 MO Center= -4.3D-02, 7.3D-02, -4.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1641 0.663333 110 C s 126 0.635448 9 C s 966 -0.631182 65 C s 1821 -0.633190 122 C s 1761 -0.629215 118 C s 666 0.614934 45 C s 3081 0.616518 206 C s 2361 0.599346 158 C s 3261 -0.596251 218 C s 1941 0.590784 130 C s Vector 1017 Occ=0.000000D+00 E= 3.971952D-01 MO Center= 4.3D-02, 7.0D-02, -2.4D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3321 0.785076 222 C s 3126 0.736784 209 C s 3516 -0.737451 235 C s 3006 -0.720236 201 C s 3111 -0.702536 208 C s 3231 0.701017 216 C s 2571 0.694194 172 C s 3441 -0.680750 230 C s 3141 -0.672806 210 C s 3396 0.620172 227 C s Vector 1018 Occ=0.000000D+00 E= 3.982014D-01 MO Center= 6.8D-03, 3.2D-02, -2.3D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3066 0.737684 205 C s 3381 -0.727948 226 C s 3171 0.693332 212 C s 3456 -0.688404 231 C s 3291 -0.678417 220 C s 3576 0.669096 239 C s 3561 0.657201 238 C s 3246 -0.652946 217 C s 2256 -0.645098 151 C s 2781 0.631460 186 C s Vector 1019 Occ=0.000000D+00 E= 4.012316D-01 MO Center= -1.1D-01, 2.1D-01, -2.0D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 66 0.548235 5 C s 1086 0.528546 73 C s 1791 -0.524105 120 C s 1521 -0.502186 102 C s 3021 -0.498110 202 C s 666 0.494201 45 C s 3201 -0.491155 214 C s 1611 -0.476176 108 C s 3246 0.477846 217 C s 3261 -0.478434 218 C s Vector 1020 Occ=0.000000D+00 E= 4.020615D-01 MO Center= 1.4D-01, -6.0D-02, 7.7D-03, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1176 -0.698327 79 C s 2286 0.668254 153 C s 816 0.659638 55 C s 2271 -0.652487 152 C s 1206 0.577489 81 C s 1011 -0.571390 68 C s 3171 -0.571239 212 C s 2181 -0.557553 146 C s 3186 0.539902 213 C s 1326 0.533935 89 C s Vector 1021 Occ=0.000000D+00 E= 4.027913D-01 MO Center= 1.1D-02, 1.8D-01, 3.0D-02, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 501 0.801764 34 C s 2691 0.691473 180 C s 246 0.674141 17 C s 2496 0.673523 167 C s 1116 -0.624937 75 C s 2706 -0.592805 181 C s 3066 0.592409 205 C s 201 -0.587257 14 C s 276 -0.576016 19 C s 2916 0.571710 195 C s Vector 1022 Occ=0.000000D+00 E= 4.051904D-01 MO Center= -8.0D-01, 2.2D-01, -6.5D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2046 0.846799 137 C s 3486 -0.665610 233 C s 66 -0.641337 5 C s 2151 -0.639683 144 C s 3546 0.629704 237 C s 936 0.578602 63 C s 3531 0.568164 236 C s 231 -0.547679 16 C s 126 -0.531073 9 C s 471 0.507707 32 C s Vector 1023 Occ=0.000000D+00 E= 4.056127D-01 MO Center= 6.8D-01, 3.5D-02, -4.8D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2676 0.662095 179 C s 591 0.645516 40 C s 3336 0.646846 223 C s 1311 0.637105 88 C s 3306 -0.603284 221 C s 3411 -0.582617 228 C s 3321 0.579705 222 C s 2901 -0.557065 194 C s 711 0.546542 48 C s 1551 0.530317 104 C s Vector 1024 Occ=0.000000D+00 E= 4.061302D-01 MO Center= 1.9D-01, -4.9D-01, -2.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3471 -0.635955 232 C s 516 0.624921 35 C s 1221 0.620217 82 C s 3366 -0.611154 225 C s 3396 0.612083 227 C s 771 -0.604780 52 C s 1476 0.558207 99 C s 216 0.543651 15 C s 801 0.534422 54 C s 3426 0.514922 229 C s Vector 1025 Occ=0.000000D+00 E= 4.065077D-01 MO Center= 6.4D-02, -1.2D-01, -1.7D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2631 0.599136 176 C s 1371 0.565370 92 C s 2946 -0.560104 197 C s 2886 0.555148 193 C s 3216 0.555279 215 C s 2151 -0.534900 144 C s 651 0.516378 44 C s 951 0.508665 64 C s 936 0.490110 63 C s 1731 -0.490642 116 C s Vector 1026 Occ=0.000000D+00 E= 4.069681D-01 MO Center= -3.9D-02, -2.4D-01, -2.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1086 0.683281 73 C s 2466 -0.686118 165 C s 336 0.629457 23 C s 2196 0.632112 147 C s 456 0.600250 31 C s 3156 0.596001 211 C s 2841 0.582676 190 C s 1296 0.565975 87 C s 1641 0.549237 110 C s 2421 -0.538658 162 C s Vector 1027 Occ=0.000000D+00 E= 4.096979D-01 MO Center= -3.0D-01, 1.5D-01, -3.0D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1521 0.801021 102 C s 2151 -0.755300 144 C s 171 0.622470 12 C s 711 -0.621797 48 C s 2136 0.621336 143 C s 3216 0.613409 215 C s 381 -0.591049 26 C s 1866 0.588735 125 C s 2856 -0.579606 191 C s 891 -0.572618 60 C s Vector 1028 Occ=0.000000D+00 E= 4.100042D-01 MO Center= 4.0D-01, -5.1D-01, -3.4D-02, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2031 0.733879 136 C s 366 0.723311 25 C s 2046 -0.713370 137 C s 1386 -0.693014 93 C s 1881 0.659122 126 C s 216 -0.648564 15 C s 1581 -0.630388 106 C s 1701 -0.623103 114 C s 2676 0.614513 179 C s 3366 0.610202 225 C s Vector 1029 Occ=0.000000D+00 E= 4.102507D-01 MO Center= -4.4D-02, 1.1D+00, -1.3D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 126 -0.849093 9 C s 66 0.814815 5 C s 111 0.754410 8 C s 351 -0.743606 24 C s 51 -0.694155 4 C s 1791 0.664849 120 C s 96 -0.626345 7 C s 336 0.625112 23 C s 801 0.605427 54 C s 36 0.597093 3 C s Vector 1030 Occ=0.000000D+00 E= 4.104326D-01 MO Center= -2.1D-01, -5.5D-01, -2.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1611 0.725125 108 C s 2466 -0.722375 165 C s 1506 0.682372 101 C s 1941 0.673738 130 C s 3156 0.652410 211 C s 966 -0.643926 65 C s 2871 -0.619984 192 C s 186 -0.615747 13 C s 3426 -0.606283 229 C s 2196 -0.603051 147 C s Vector 1031 Occ=0.000000D+00 E= 4.129415D-01 MO Center= -2.3D-01, 1.7D-01, -1.0D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2346 -0.691679 157 C s 2241 -0.675048 150 C s 2961 0.672381 198 C s 2976 -0.666810 199 C s 2331 0.649036 156 C s 2226 0.638594 149 C s 2751 0.639869 184 C s 2766 -0.633073 185 C s 2556 -0.609102 171 C s 2541 0.605082 170 C s Vector 1032 Occ=0.000000D+00 E= 4.161096D-01 MO Center= -2.7D-01, 1.1D-01, -8.4D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3351 0.990870 224 C s 3411 -0.829103 228 C s 3591 -0.721125 240 C s 1941 -0.667742 130 C s 1581 0.587625 106 C s 2076 0.587202 139 C s 1851 0.557959 124 C s 2391 -0.556756 160 C s 2946 -0.554912 197 C s 2121 0.543263 142 C s Vector 1033 Occ=0.000000D+00 E= 4.164284D-01 MO Center= -1.3D-01, 1.9D-01, -8.5D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3531 1.015064 236 C s 3471 -0.859515 232 C s 3591 -0.711968 240 C s 1761 0.663018 118 C s 1671 -0.652547 112 C s 186 -0.632304 13 C s 1956 -0.588956 131 C s 2211 -0.576767 148 C s 2811 -0.559797 188 C s 1971 0.554784 132 C s Vector 1034 Occ=0.000000D+00 E= 4.174307D-01 MO Center= -2.9D-01, 1.3D-01, 8.5D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1701 0.853962 114 C s 1521 0.839405 102 C s 1611 0.839419 108 C s 1881 0.825106 126 C s 1686 -0.784061 113 C s 1866 -0.721552 125 C s 1506 -0.707431 101 C s 1596 -0.668636 107 C s 1791 0.670970 120 C s 441 0.664572 30 C s Vector 1035 Occ=0.000000D+00 E= 4.198214D-01 MO Center= -1.8D-01, -7.3D-01, 1.4D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1041 -0.863047 70 C s 141 0.845518 10 C s 1311 0.817813 88 C s 1356 0.797257 91 C s 246 -0.711114 17 C s 1266 -0.690859 85 C s 831 -0.666527 56 C s 2631 0.657085 176 C s 426 -0.637190 29 C s 1206 0.632664 81 C s Vector 1036 Occ=0.000000D+00 E= 4.206855D-01 MO Center= -8.6D-02, -5.4D-01, -3.1D-03, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1731 0.752198 116 C s 621 0.668177 42 C s 3141 0.646001 210 C s 1761 -0.641106 118 C s 81 -0.636630 6 C s 1041 0.622679 70 C s 1716 -0.623631 115 C s 1431 0.619417 96 C s 2511 0.617182 168 C s 2496 -0.611664 167 C s Vector 1037 Occ=0.000000D+00 E= 4.208034D-01 MO Center= -1.1D-01, 9.3D-01, -7.3D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2946 -0.654146 197 C s 2301 -0.648010 154 C s 1536 0.633852 103 C s 306 0.608052 21 C s 3261 -0.580929 218 C s 2901 0.566991 194 C s 2931 0.535096 196 C s 2286 0.529703 153 C s 2316 0.531276 155 C s 2991 -0.526247 200 C s Vector 1038 Occ=0.000000D+00 E= 4.209302D-01 MO Center= 1.2D+00, -2.0D-01, 7.4D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1431 -0.846739 96 C s 1236 0.813388 83 C s 1281 -0.679726 86 C s 906 -0.675713 61 C s 2736 0.659338 183 C s 1266 0.620079 85 C s 1221 -0.612016 82 C s 516 -0.606039 35 C s 2691 -0.595278 180 C s 321 0.578791 22 C s Vector 1039 Occ=0.000000D+00 E= 4.216957D-01 MO Center= -4.8D-01, -2.0D-01, 2.9D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 426 0.909881 29 C s 756 -0.827421 51 C s 21 0.757062 2 C s 1851 -0.742310 124 C s 1821 0.690531 122 C s 1971 -0.666300 132 C s 666 -0.637482 45 C s 366 0.597427 25 C s 801 0.589850 54 C s 1161 0.580633 78 C s Vector 1040 Occ=0.000000D+00 E= 4.235376D-01 MO Center= -4.8D-01, 3.2D-01, 1.7D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1416 0.594744 95 C s 1881 -0.548459 126 C s 1971 -0.517290 132 C s 2076 -0.512595 139 C s 711 0.506068 48 C s 1116 -0.504284 75 C s 1191 0.490042 80 C s 1791 -0.490867 120 C s 981 0.473153 66 C s 2061 0.474216 138 C s Vector 1041 Occ=0.000000D+00 E= 4.245198D-01 MO Center= 9.2D-02, -3.7D-01, 1.5D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 291 0.945139 20 C s 996 -0.910524 67 C s 276 -0.821616 19 C s 1101 -0.782511 74 C s 1251 -0.765063 84 C s 981 0.751995 66 C s 1326 0.723370 89 C s 1011 0.706072 68 C s 1341 -0.709280 90 C s 561 0.676085 38 C s Vector 1042 Occ=0.000000D+00 E= 4.252976D-01 MO Center= -4.2D-02, -5.4D-01, 7.7D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1521 -0.834004 102 C s 381 0.823523 26 C s 261 0.798538 18 C s 2421 -0.773943 162 C s 1506 0.757599 101 C s 2376 0.754289 159 C s 171 -0.743342 12 C s 1716 0.744146 115 C s 1791 0.725887 120 C s 1416 -0.716345 95 C s Vector 1043 Occ=0.000000D+00 E= 4.266528D-01 MO Center= 9.3D-01, -4.2D-01, 8.1D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1776 0.939084 119 C s 2391 0.877998 160 C s 1491 -0.792860 100 C s 1791 -0.793424 120 C s 1611 0.783460 108 C s 1326 -0.768144 89 C s 1446 -0.749141 97 C s 1176 0.744461 79 C s 1251 0.742998 84 C s 1341 0.746058 90 C s Vector 1044 Occ=0.000000D+00 E= 4.270220D-01 MO Center= 3.0D-01, 2.4D-01, 7.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2601 0.986792 174 C s 1596 -0.941541 107 C s 1701 0.939554 114 C s 486 0.886805 33 C s 1881 -0.842072 126 C s 2616 -0.795408 175 C s 636 -0.790190 43 C s 1926 0.762221 129 C s 1866 0.725070 125 C s 2076 -0.709370 139 C s Vector 1045 Occ=0.000000D+00 E= 4.272159D-01 MO Center= -8.9D-01, -2.6D-03, 2.0D+00, r^2= 4.5D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 696 1.197914 47 C s 501 1.002564 34 C s 876 -0.994315 59 C s 411 -0.950670 28 C s 681 -0.899725 46 C s 1131 0.821050 76 C s 1026 0.801492 69 C s 1146 -0.766270 77 C s 1311 0.726633 88 C s 1116 -0.645777 75 C s Vector 1046 Occ=0.000000D+00 E= 4.278686D-01 MO Center= -2.1D-01, 9.9D-01, 1.4D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 861 -0.774717 58 C s 396 -0.755043 27 C s 531 0.754142 36 C s 2856 -0.738765 191 C s 2886 0.721918 193 C s 246 0.710995 17 C s 831 -0.672144 56 C s 2676 -0.667809 179 C s 231 0.618354 16 C s 141 -0.605975 10 C s Vector 1047 Occ=0.000000D+00 E= 4.283785D-01 MO Center= -1.9D-01, -1.2D-02, 8.3D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2151 0.903641 144 C s 351 0.802632 24 C s 2136 -0.728097 143 C s 2466 -0.686175 165 C s 2436 0.675431 163 C s 606 0.651039 41 C s 336 -0.616655 23 C s 186 -0.595555 13 C s 2046 -0.554935 137 C s 2241 -0.553343 150 C s Vector 1048 Occ=0.000000D+00 E= 4.292635D-01 MO Center= 8.6D-01, -5.3D-01, 1.5D+00, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 531 1.173558 36 C s 546 -1.164256 37 C s 696 0.760674 47 C s 171 -0.664230 12 C s 576 -0.652781 39 C s 861 -0.639432 58 C s 1866 0.610825 125 C s 561 0.603352 38 C s 1776 -0.579602 119 C s 1491 0.556527 100 C s Vector 1049 Occ=0.000000D+00 E= 4.308842D-01 MO Center= 6.6D-02, 7.0D-02, -2.6D+00, r^2= 4.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3216 1.017927 215 C s 3096 0.986834 207 C s 3156 0.958027 211 C s 3276 0.946479 219 C s 3036 0.938888 203 C s 2046 -0.728311 137 C s 2151 -0.731654 144 C s 2886 -0.730812 193 C s 2676 -0.688548 179 C s 1026 -0.675004 69 C s Vector 1050 Occ=0.000000D+00 E= 4.386118D-01 MO Center= -3.0D-01, -4.7D-01, -1.5D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2436 0.990920 163 C s 2451 -0.992040 164 C s 2646 -0.977583 177 C s 2136 0.937029 143 C s 3591 -0.885810 240 C s 2076 -0.878281 139 C s 2391 0.878702 160 C s 1566 -0.820433 105 C s 3351 0.808359 224 C s 1536 0.768820 103 C s Vector 1051 Occ=0.000000D+00 E= 4.393381D-01 MO Center= 1.3D-01, 5.9D-01, -1.7D+00, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2016 1.121063 135 C s 2871 1.023335 192 C s 3471 0.949583 232 C s 2031 -0.908578 136 C s 2856 -0.902364 191 C s 2811 -0.873770 188 C s 1956 -0.868141 131 C s 1746 0.799657 117 C s 3411 -0.777077 228 C s 1971 0.763783 132 C s Vector 1052 Occ=0.000000D+00 E= 4.431806D-01 MO Center= 7.3D-01, 1.2D-02, 6.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1866 1.364059 125 C s 696 -1.121554 47 C s 891 -1.091636 60 C s 1881 -0.839404 126 C s 1776 -0.812173 119 C s 2676 -0.812098 179 C s 381 -0.794167 26 C s 2646 0.765192 177 C s 2136 -0.731917 143 C s 876 0.713347 59 C s Vector 1053 Occ=0.000000D+00 E= 4.434629D-01 MO Center= -7.3D-01, 2.3D-01, 7.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 861 1.156026 58 C s 1596 -1.147092 107 C s 1506 1.000828 101 C s 1161 0.943201 78 C s 486 0.925241 33 C s 1611 0.874537 108 C s 876 -0.839251 59 C s 1701 -0.833516 114 C s 1791 0.711282 120 C s 2631 0.706820 176 C s Vector 1054 Occ=0.000000D+00 E= 4.437137D-01 MO Center= -1.0D-01, -2.4D-01, 1.5D-01, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2436 0.946542 163 C s 2466 -0.925344 165 C s 1491 -0.891945 100 C s 1776 0.842272 119 C s 2031 -0.837575 136 C s 2796 0.840080 187 C s 1341 0.812146 90 C s 2046 0.774868 137 C s 2451 0.740357 164 C s 2076 0.715294 139 C s Vector 1055 Occ=0.000000D+00 E= 4.442457D-01 MO Center= 9.5D-02, 2.5D-02, 4.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1686 1.043181 113 C s 981 0.925818 66 C s 546 0.916331 37 C s 531 -0.872876 36 C s 1026 -0.856517 69 C s 2121 0.852632 142 C s 2151 -0.827142 144 C s 2871 -0.815773 192 C s 1506 -0.797397 101 C s 1881 -0.738640 126 C s Vector 1056 Occ=0.000000D+00 E= 4.476321D-01 MO Center= -5.5D-02, 1.4D-01, 5.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1776 0.665415 119 C s 1971 0.641873 132 C s 1266 -0.617842 85 C s 1956 -0.614159 131 C s 2811 0.614222 188 C s 591 -0.604904 40 C s 1866 0.589832 125 C s 2616 -0.573637 175 C s 1311 0.563000 88 C s 606 0.554795 41 C s Vector 1057 Occ=0.000000D+00 E= 4.495172D-01 MO Center= -4.0D-02, -4.0D-01, 7.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1341 1.318998 90 C s 1146 -1.162846 77 C s 996 -1.027409 67 C s 2046 0.795363 137 C s 1161 0.781491 78 C s 1326 -0.762694 89 C s 1416 -0.751915 95 C s 1491 -0.753301 100 C s 1251 0.728020 84 C s 2886 -0.722556 193 C s Vector 1058 Occ=0.000000D+00 E= 4.503598D-01 MO Center= -3.8D-01, 5.1D-01, 1.9D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 171 1.290018 12 C s 186 -1.249125 13 C s 291 -1.098038 20 C s 2466 0.948647 165 C s 2451 -0.883805 164 C s 261 0.837049 18 C s 996 -0.815425 67 C s 2016 -0.794541 135 C s 2676 -0.731701 179 C s 3351 0.734747 224 C s Vector 1059 Occ=0.000000D+00 E= 4.505676D-01 MO Center= 3.3D-01, -2.3D-01, -4.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2646 1.090309 177 C s 2661 -1.064613 178 C s 171 -0.930723 12 C s 1491 0.883713 100 C s 486 -0.773590 33 C s 2031 0.759342 136 C s 1461 -0.746762 98 C s 3471 -0.744871 232 C s 1611 -0.728750 108 C s 3111 -0.712584 208 C s Vector 1060 Occ=0.000000D+00 E= 4.513201D-01 MO Center= 9.5D-02, 2.5D-02, -5.0D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2871 1.064180 192 C s 2436 0.938844 163 C s 291 0.891184 20 C s 1026 0.872815 69 C s 3411 0.827266 228 C s 381 0.800074 26 C s 2451 -0.770396 164 C s 2856 -0.665367 191 C s 1521 -0.634755 102 C s 3051 0.634075 204 C s Vector 1061 Occ=0.000000D+00 E= 4.523579D-01 MO Center= -1.4D-01, 1.8D-01, 1.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1416 0.831809 95 C s 381 0.690250 26 C s 1521 -0.656328 102 C s 981 0.615567 66 C s 1281 -0.593937 86 C s 1206 -0.587582 81 C s 36 -0.547053 3 C s 81 -0.548153 6 C s 1791 -0.544058 120 C s 261 0.522763 18 C s Vector 1062 Occ=0.000000D+00 E= 4.537807D-01 MO Center= -4.3D-02, 6.6D-01, -1.9D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2811 1.143716 188 C s 1686 1.058699 113 C s 1341 1.020183 90 C s 2121 -0.999013 142 C s 2046 0.957056 137 C s 1491 -0.918424 100 C s 186 -0.874843 13 C s 981 -0.873268 66 C s 996 0.869350 67 C s 2061 0.870755 138 C s Vector 1063 Occ=0.000000D+00 E= 4.539301D-01 MO Center= -5.8D-01, -3.0D-01, -2.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2076 1.253998 139 C s 486 -0.991450 33 C s 1866 0.934058 125 C s 261 -0.901897 18 C s 1611 0.903683 108 C s 2646 -0.876223 177 C s 2586 0.871606 173 C s 291 0.835197 20 C s 966 -0.742106 65 C s 2676 0.714662 179 C s Vector 1064 Occ=0.000000D+00 E= 4.541550D-01 MO Center= 3.9D-01, 6.5D-02, -1.2D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 861 1.154382 58 C s 2601 1.030543 174 C s 876 -0.990575 59 C s 1146 0.979607 77 C s 1596 0.971302 107 C s 3531 0.937139 236 C s 1956 0.883398 131 C s 2886 0.792048 193 C s 3591 -0.785463 240 C s 1161 -0.771579 78 C s Vector 1065 Occ=0.000000D+00 E= 4.544477D-01 MO Center= 4.1D-01, -4.1D-01, 3.1D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 696 1.291545 47 C s 3351 1.235073 224 C s 3591 -0.914843 240 C s 876 -0.793668 59 C s 891 -0.767664 60 C s 2136 -0.764743 143 C s 3411 -0.743297 228 C s 546 -0.722320 37 C s 1506 -0.693365 101 C s 801 -0.685491 54 C s Vector 1066 Occ=0.000000D+00 E= 4.551271D-01 MO Center= -3.5D-01, 1.3D-01, -5.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1971 1.069443 132 C s 1776 0.919831 119 C s 2061 -0.863764 138 C s 2376 0.863149 159 C s 2391 -0.847238 160 C s 2886 -0.790708 193 C s 1791 -0.781154 120 C s 2871 0.755864 192 C s 1026 0.739840 69 C s 3351 -0.709261 224 C s Vector 1067 Occ=0.000000D+00 E= 4.561149D-01 MO Center= -1.8D-01, -1.9D-01, 1.3D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3531 1.057608 236 C s 2796 -0.957590 187 C s 2811 0.910390 188 C s 2061 0.861528 138 C s 186 0.810051 13 C s 1881 0.794824 126 C s 861 0.731052 58 C s 2271 0.681707 152 C s 1506 -0.670063 101 C s 2451 0.658426 164 C s Vector 1068 Occ=0.000000D+00 E= 4.564533D-01 MO Center= 9.3D-02, 2.3D-01, 2.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2796 1.012903 187 C s 1701 0.998606 114 C s 2391 0.917745 160 C s 2601 -0.830930 174 C s 3351 0.804938 224 C s 3591 -0.787203 240 C s 2856 -0.781668 191 C s 291 0.749716 20 C s 381 -0.730784 26 C s 741 0.695169 50 C s Vector 1069 Occ=0.000000D+00 E= 4.572322D-01 MO Center= 1.6D-01, -2.4D-01, 3.4D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3471 1.252317 232 C s 531 1.145025 36 C s 876 -0.800913 59 C s 891 -0.794368 60 C s 1221 0.781836 82 C s 1956 -0.751562 131 C s 486 0.699922 33 C s 2376 0.682542 159 C s 2436 -0.665090 163 C s 2661 0.658684 178 C s Vector 1070 Occ=0.000000D+00 E= 4.575811D-01 MO Center= -5.0D-02, 2.9D-01, 4.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 546 1.261783 37 C s 3411 1.199083 228 C s 276 0.815359 19 C s 1026 0.778648 69 C s 591 0.677175 40 C s 1941 -0.673488 130 C s 1116 -0.666010 75 C s 2901 -0.668776 194 C s 2586 0.640235 173 C s 396 -0.635129 27 C s Vector 1071 Occ=0.000000D+00 E= 4.594743D-01 MO Center= 1.1D-01, -1.2D-01, 2.0D+00, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1011 1.097628 68 C s 156 1.088212 11 C s 276 1.074300 19 C s 1131 1.072629 76 C s 1326 1.064825 89 C s 171 -0.838904 12 C s 996 -0.793488 67 C s 1341 -0.794620 90 C s 1146 -0.751110 77 C s 291 -0.713988 20 C s Vector 1072 Occ=0.000000D+00 E= 4.613452D-01 MO Center= 2.0D-01, -4.2D-02, -2.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1656 0.814137 111 C s 1536 0.784454 103 C s 2406 0.750957 161 C s 2631 0.752259 176 C s 2811 0.706614 188 C s 2961 0.649496 198 C s 1881 0.641276 126 C s 1611 -0.634818 108 C s 51 -0.626943 4 C s 2001 -0.619829 134 C s Vector 1073 Occ=0.000000D+00 E= 4.618576D-01 MO Center= -1.4D-01, 5.7D-02, -3.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1971 0.817114 132 C s 1626 0.800559 109 C s 1701 -0.758284 114 C s 1746 0.743423 117 C s 2616 0.721329 175 C s 1161 0.696746 78 C s 1806 -0.673629 121 C s 1956 -0.631691 131 C s 2301 0.620837 154 C s 651 0.614921 44 C s Vector 1074 Occ=0.000000D+00 E= 4.627720D-01 MO Center= -1.4D-01, 3.5D-01, 2.1D+00, r^2= 4.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 861 0.654689 58 C s 681 -0.586559 46 C s 2421 -0.562707 162 C s 846 -0.529884 57 C s 1251 0.518380 84 C s 1356 -0.511224 91 C s 3531 0.512500 236 C s 876 -0.494940 59 C s 1416 0.484342 95 C s 531 -0.464168 36 C s Vector 1075 Occ=0.000000D+00 E= 4.632377D-01 MO Center= -1.5D-01, -1.3D-01, 8.1D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 561 -0.979370 38 C s 546 0.955024 37 C s 696 -0.895200 47 C s 3411 0.815532 228 C s 681 0.778678 46 C s 3351 -0.705340 224 C s 2091 0.626116 140 C s 2751 0.616341 184 C s 756 -0.604316 51 C s 3366 -0.580249 225 C s Vector 1076 Occ=0.000000D+00 E= 4.632726D-01 MO Center= 3.2D-01, -2.0D-01, 1.4D+00, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 531 0.901553 36 C s 3471 0.879943 232 C s 576 -0.810916 39 C s 861 -0.777490 58 C s 846 0.767566 57 C s 1251 -0.586301 84 C s 3531 -0.560553 236 C s 321 0.541912 22 C s 2826 -0.520063 189 C s 3426 -0.517031 229 C s Vector 1077 Occ=0.000000D+00 E= 4.675852D-01 MO Center= 6.7D-02, 1.2D-02, 1.3D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2226 0.351917 149 C s 2961 -0.278306 198 C s 981 -0.244144 66 C s 1431 -0.244400 96 C s 1161 0.233324 78 C s 2751 -0.234453 184 C s 3036 0.234195 203 C s 1941 -0.226873 130 C s 21 0.224467 2 C s 1896 -0.216746 127 C s Vector 1078 Occ=0.000000D+00 E= 4.686096D-01 MO Center= 5.2D-01, 2.3D-01, 7.4D-01, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3276 0.548481 219 C s 2331 -0.530345 156 C s 1416 0.524685 95 C s 3156 -0.496911 211 C s 2541 0.449074 170 C s 2766 -0.445311 185 C s 2751 0.419002 184 C s 621 -0.381235 42 C s 261 -0.367587 18 C s 426 0.368748 29 C s Vector 1079 Occ=0.000000D+00 E= 4.693467D-01 MO Center= 1.6D-01, 5.9D-02, -8.3D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3096 1.013245 207 C s 3216 -0.871800 215 C s 981 -0.831249 66 C s 2976 0.776252 199 C s 3276 -0.779684 219 C s 2226 0.746426 149 C s 486 0.727781 33 C s 891 -0.712577 60 C s 2451 -0.701633 164 C s 2556 -0.688658 171 C s Vector 1080 Occ=0.000000D+00 E= 4.695295D-01 MO Center= 4.4D-01, 7.9D-03, -9.9D-01, r^2= 4.9D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3036 0.860123 203 C s 3156 -0.832094 211 C s 2766 -0.712126 185 C s 381 -0.696750 26 C s 2346 0.653044 157 C s 3216 -0.643125 215 C s 186 -0.595635 13 C s 1506 0.574745 101 C s 1026 0.567648 69 C s 1926 -0.566183 129 C s Vector 1081 Occ=0.000000D+00 E= 4.696706D-01 MO Center= -6.7D-01, -1.5D-01, -1.7D+00, r^2= 4.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3036 0.455304 203 C s 3156 -0.403368 211 C s 2466 0.371190 165 C s 1026 0.332583 69 C s 2766 -0.322753 185 C s 1476 -0.320837 99 C s 1776 -0.312319 119 C s 126 -0.309454 9 C s 3261 -0.305135 218 C s 1161 0.302475 78 C s Vector 1082 Occ=0.000000D+00 E= 4.714637D-01 MO Center= 7.9D-02, -1.6D-01, 1.2D-02, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1341 0.987520 90 C s 2061 -0.844374 138 C s 2376 0.827474 159 C s 2601 0.764946 174 C s 1146 -0.699687 77 C s 2046 -0.613035 137 C s 2391 -0.601077 160 C s 2811 -0.594393 188 C s 1596 -0.591119 107 C s 2586 -0.587501 173 C s Vector 1083 Occ=0.000000D+00 E= 4.722707D-01 MO Center= -3.6D-01, 7.8D-02, 2.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1971 -0.894653 132 C s 291 0.853815 20 C s 1776 0.781423 119 C s 1956 0.664284 131 C s 2586 0.626291 173 C s 2796 -0.619156 187 C s 2151 -0.606394 144 C s 171 -0.584845 12 C s 996 0.581082 67 C s 1791 -0.522379 120 C s Vector 1084 Occ=0.000000D+00 E= 4.730973D-01 MO Center= -2.0D-02, -6.0D-02, -2.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1341 0.992862 90 C s 3411 0.720253 228 C s 876 0.678716 59 C s 291 -0.639499 20 C s 996 0.584877 67 C s 3591 -0.582224 240 C s 1491 -0.552752 100 C s 2001 -0.540611 134 C s 2601 -0.528091 174 C s 2556 -0.498685 171 C s Vector 1085 Occ=0.000000D+00 E= 4.731688D-01 MO Center= -1.6D-02, 3.6D-01, -1.8D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2811 -0.714448 188 C s 231 0.692267 16 C s 876 -0.632423 59 C s 171 0.588104 12 C s 1686 0.572115 113 C s 1866 0.572116 125 C s 1281 -0.550916 86 C s 2601 -0.544341 174 C s 2151 -0.498938 144 C s 1131 0.486748 76 C s Vector 1086 Occ=0.000000D+00 E= 4.736487D-01 MO Center= -3.4D-02, -1.1D-01, -3.8D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1146 1.039957 77 C s 3471 0.696034 232 C s 2841 -0.658181 190 C s 3351 -0.658686 224 C s 696 0.608591 47 C s 531 -0.556995 36 C s 171 -0.550688 12 C s 2886 -0.525079 193 C s 3531 0.508930 236 C s 681 -0.479158 46 C s Vector 1087 Occ=0.000000D+00 E= 4.744013D-01 MO Center= -1.5D-02, 9.7D-02, 5.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1656 -0.831137 111 C s 1566 0.791240 105 C s 696 0.758516 47 C s 1536 -0.746556 103 C s 2661 0.725857 178 C s 1896 0.717518 127 C s 2451 -0.668969 164 C s 186 0.652641 13 C s 2121 -0.645086 142 C s 291 -0.620281 20 C s Vector 1088 Occ=0.000000D+00 E= 4.748048D-01 MO Center= 2.6D-01, -4.1D-01, 9.9D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1836 0.907399 123 C s 531 0.799518 36 C s 861 -0.740400 58 C s 2646 0.722624 177 C s 306 -0.700098 21 C s 996 -0.702453 67 C s 1416 -0.692598 95 C s 1746 -0.688375 117 C s 1716 0.679737 115 C s 1491 0.653884 100 C s Vector 1089 Occ=0.000000D+00 E= 4.750665D-01 MO Center= -1.2D-01, 1.6D-01, -1.7D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1956 1.191482 131 C s 2586 1.156149 173 C s 2796 1.119933 187 C s 2376 1.101770 159 C s 2061 0.954674 138 C s 1506 0.887728 101 C s 1521 -0.859960 102 C s 1686 0.854415 113 C s 1971 -0.827308 132 C s 1866 0.820575 125 C s Vector 1090 Occ=0.000000D+00 E= 4.762925D-01 MO Center= 7.0D-01, 5.5D-01, 3.2D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3531 0.971200 236 C s 1416 -0.827764 95 C s 996 -0.790158 67 C s 1776 -0.790418 119 C s 651 -0.750002 44 C s 981 0.744101 66 C s 1056 -0.707922 71 C s 1866 0.699986 125 C s 2721 0.696785 182 C s 861 -0.689020 58 C s Vector 1091 Occ=0.000000D+00 E= 4.766055D-01 MO Center= -3.2D-01, -7.6D-01, 4.1D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 531 -0.920297 36 C s 1596 -0.913816 107 C s 291 0.868318 20 C s 546 0.814281 37 C s 2631 -0.756332 176 C s 3351 0.757172 224 C s 861 0.738735 58 C s 1716 -0.733783 115 C s 261 -0.723259 18 C s 981 -0.717798 66 C s Vector 1092 Occ=0.000000D+00 E= 4.775383D-01 MO Center= -1.1D-01, 1.2D-01, 3.7D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1011 0.690249 68 C s 621 -0.507336 42 C s 1326 0.448273 89 C s 1161 0.438158 78 C s 156 0.415011 11 C s 2586 0.416456 173 C s 726 -0.397997 49 C s 1776 0.385758 119 C s 2151 -0.386847 144 C s 516 0.380306 35 C s Vector 1093 Occ=0.000000D+00 E= 4.778192D-01 MO Center= -5.6D-02, -3.3D-04, 1.0D+00, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 276 1.039201 19 C s 381 1.011964 26 C s 2676 -0.979639 179 C s 1506 0.784249 101 C s 2661 0.774632 178 C s 1011 -0.748077 68 C s 2646 0.737550 177 C s 546 0.703095 37 C s 2856 0.703455 191 C s 1161 -0.696245 78 C s Vector 1094 Occ=0.000000D+00 E= 4.785633D-01 MO Center= 1.3D-01, -1.2D-01, 8.5D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 156 1.053654 11 C s 2436 0.917217 163 C s 2466 -0.902134 165 C s 1326 -0.880529 89 C s 891 -0.862863 60 C s 1131 -0.810082 76 C s 1416 0.814023 95 C s 2016 -0.795872 135 C s 2871 -0.760793 192 C s 2451 0.753452 164 C s Vector 1095 Occ=0.000000D+00 E= 4.796120D-01 MO Center= 4.1D-01, 2.2D-02, 5.5D-01, r^2= 4.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3351 0.741969 224 C s 3411 -0.691743 228 C s 531 0.632443 36 C s 561 0.592784 38 C s 3366 0.555545 225 C s 3426 -0.538225 229 C s 1596 -0.494724 107 C s 2616 0.491735 175 C s 576 -0.481749 39 C s 861 -0.482503 58 C s Vector 1096 Occ=0.000000D+00 E= 4.797759D-01 MO Center= -1.7D-01, 1.4D-01, 6.8D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 546 0.675544 37 C s 291 0.644546 20 C s 2826 0.609746 189 C s 846 0.562424 57 C s 486 -0.548985 33 C s 3546 -0.543436 237 C s 3591 0.541619 240 C s 3531 -0.509898 236 C s 3471 0.483994 232 C s 1866 -0.470046 125 C s Vector 1097 Occ=0.000000D+00 E= 4.800302D-01 MO Center= -2.8D-01, 1.5D-01, -7.1D-01, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2871 0.520418 192 C s 2076 0.384194 139 C s 1986 0.378833 133 C s 1491 0.373452 100 C s 2451 -0.361389 164 C s 2136 -0.353530 143 C s 1971 -0.338301 132 C s 2811 -0.336502 188 C s 1896 -0.329920 127 C s 696 0.324524 47 C s Vector 1098 Occ=0.000000D+00 E= 4.815616D-01 MO Center= 1.9D-01, 2.9D-01, -8.1D-01, r^2= 4.6D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1971 0.572323 132 C s 1146 -0.493235 77 C s 3351 0.489219 224 C s 1026 0.449423 69 C s 2211 0.433433 148 C s 1806 -0.394574 121 C s 2661 0.386126 178 C s 186 -0.381385 13 C s 2826 0.378751 189 C s 2001 0.368524 134 C s Vector 1099 Occ=0.000000D+00 E= 4.822560D-01 MO Center= -3.9D-01, -2.8D-01, -1.7D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3591 0.948014 240 C s 3531 -0.810159 236 C s 3351 -0.728051 224 C s 336 -0.695595 23 C s 2106 0.693841 141 C s 936 0.649228 63 C s 1386 -0.642444 93 C s 891 -0.620668 60 C s 786 0.596608 53 C s 1881 -0.585931 126 C s Vector 1100 Occ=0.000000D+00 E= 4.827140D-01 MO Center= 3.7D-01, 8.5D-02, -1.1D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3471 0.912532 232 C s 3411 -0.822815 228 C s 2616 -0.750241 175 C s 771 -0.712026 52 C s 1611 -0.714261 108 C s 351 -0.701627 24 C s 1371 0.696617 92 C s 2631 0.666987 176 C s 2601 0.631467 174 C s 2841 -0.631850 190 C s Vector 1101 Occ=0.000000D+00 E= 4.880303D-01 MO Center= -9.1D-02, -1.3D-01, -2.1D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2376 -0.689061 159 C s 2436 0.670394 163 C s 1866 -0.665471 125 C s 171 0.638166 12 C s 2076 0.634908 139 C s 891 0.627901 60 C s 876 -0.605459 59 C s 3591 0.603914 240 C s 1161 0.600661 78 C s 2856 -0.591369 191 C s Vector 1102 Occ=0.000000D+00 E= 4.884278D-01 MO Center= 1.2D-02, -9.9D-02, -1.5D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1281 0.271098 86 C s 1176 0.247541 79 C s 726 0.237162 49 C s 3591 -0.236506 240 C s 1401 -0.208960 94 C s 3396 0.208956 227 C s 396 0.201713 27 C s 1311 -0.198453 88 C s 231 -0.191918 16 C s 996 0.190501 67 C s Vector 1103 Occ=0.000000D+00 E= 4.886091D-01 MO Center= 3.0D-01, 5.9D-02, 6.2D-01, r^2= 5.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 531 0.773275 36 C s 546 -0.743331 37 C s 696 0.625929 47 C s 2391 0.600688 160 C s 2646 0.582961 177 C s 261 -0.575875 18 C s 291 0.557316 20 C s 2661 0.557776 178 C s 2796 0.541449 187 C s 3471 -0.539106 232 C s Vector 1104 Occ=0.000000D+00 E= 4.889480D-01 MO Center= -1.6D-01, 5.3D-02, 5.6D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2016 0.708118 135 C s 861 0.684407 58 C s 1416 -0.644933 95 C s 876 -0.622360 59 C s 2811 0.624757 188 C s 3531 -0.620409 236 C s 1341 0.608707 90 C s 696 0.535191 47 C s 2061 0.500709 138 C s 1956 -0.476032 131 C s Vector 1105 Occ=0.000000D+00 E= 4.890442D-01 MO Center= -1.9D-02, 4.8D-02, -3.6D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1971 -0.674306 132 C s 1776 0.664888 119 C s 1956 0.589299 131 C s 2121 -0.572496 142 C s 1791 -0.551710 120 C s 2586 -0.543508 173 C s 2601 0.539535 174 C s 1596 -0.534380 107 C s 1506 -0.521536 101 C s 1521 0.507722 102 C s Vector 1106 Occ=0.000000D+00 E= 4.894521D-01 MO Center= 1.8D-02, 2.6D-01, 1.5D+00, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2646 0.301024 177 C s 1416 0.288393 95 C s 186 0.253982 13 C s 546 0.231495 37 C s 291 0.228726 20 C s 2376 -0.228698 159 C s 891 0.224084 60 C s 1311 0.211170 88 C s 2871 0.205233 192 C s 1611 0.202857 108 C s Vector 1107 Occ=0.000000D+00 E= 4.911154D-01 MO Center= 4.8D-01, 6.8D-02, -7.3D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3411 0.459517 228 C s 3471 -0.432498 232 C s 366 -0.405929 25 C s 546 -0.377495 37 C s 126 0.338897 9 C s 2601 -0.339827 174 C s 1956 -0.334344 131 C s 1791 0.317897 120 C s 3351 -0.307003 224 C s 3412 -0.291852 228 C px Vector 1108 Occ=0.000000D+00 E= 4.917508D-01 MO Center= -5.8D-01, -3.1D-01, -7.6D-01, r^2= 4.8D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3591 -0.364953 240 C s 801 0.335595 54 C s 1401 -0.332043 94 C s 3351 0.325668 224 C s 3531 0.311567 236 C s 1881 0.273635 126 C s 1926 -0.264020 129 C s 2811 -0.259147 188 C s 666 0.254147 45 C s 966 0.255407 65 C s Vector 1109 Occ=0.000000D+00 E= 4.944137D-01 MO Center= 6.9D-02, -5.1D-02, -8.7D-01, r^2= 5.2D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2871 0.900988 192 C s 2661 0.884428 178 C s 2451 0.800025 164 C s 2136 0.761722 143 C s 2031 0.746153 136 C s 2436 -0.744216 163 C s 2121 -0.687082 142 C s 2016 -0.667026 135 C s 2646 -0.656054 177 C s 3171 0.635562 212 C s Vector 1110 Occ=0.000000D+00 E= 4.960763D-01 MO Center= 2.5D-03, -1.2D-01, 1.8D+00, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1386 -0.379970 93 C s 81 0.348350 6 C s 111 0.332689 8 C s 711 0.319475 48 C s 1116 -0.314416 75 C s 1221 -0.299838 82 C s 546 -0.297149 37 C s 741 -0.296240 50 C s 1641 0.297001 110 C s 306 0.276399 21 C s Vector 1111 Occ=0.000000D+00 E= 4.968991D-01 MO Center= -5.5D-01, 9.9D-02, 4.0D-01, r^2= 5.7D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 786 0.347923 53 C s 141 0.339738 10 C s 1296 0.323058 87 C s 1221 0.264219 82 C s 1311 0.255094 88 C s 2571 -0.254907 172 C s 3516 -0.253706 235 C s 3321 -0.235172 222 C s 1416 -0.232771 95 C s 1686 0.226835 113 C s Vector 1112 Occ=0.000000D+00 E= 4.971484D-01 MO Center= 6.4D-01, 3.5D-01, 1.4D+00, r^2= 5.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1056 0.340565 71 C s 381 0.334099 26 C s 846 -0.299171 57 C s 591 -0.297403 40 C s 321 -0.295922 22 C s 1176 -0.294464 79 C s 1161 -0.283974 78 C s 426 0.280557 29 C s 1266 -0.268786 85 C s 621 -0.267149 42 C s Vector 1113 Occ=0.000000D+00 E= 4.976767D-01 MO Center= 2.9D-02, -6.8D-02, 1.1D-01, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1146 -0.777125 77 C s 996 0.763106 67 C s 51 0.755933 4 C s 1386 0.723136 93 C s 711 -0.686617 48 C s 351 -0.663615 24 C s 1071 -0.665222 72 C s 3531 0.663391 236 C s 1461 -0.651522 98 C s 261 0.643811 18 C s Vector 1114 Occ=0.000000D+00 E= 4.983341D-01 MO Center= 2.1D-01, 7.4D-02, 5.1D-02, r^2= 5.3D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2796 -0.906236 187 C s 951 0.831010 64 C s 531 -0.713631 36 C s 981 -0.706528 66 C s 171 0.689371 12 C s 1866 0.685585 125 C s 651 -0.677416 44 C s 456 0.673423 31 C s 3591 -0.643325 240 C s 876 0.610760 59 C s Vector 1115 Occ=0.000000D+00 E= 4.992448D-01 MO Center= -9.6D-02, 6.7D-02, 2.4D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 891 -0.784240 60 C s 381 0.739343 26 C s 1161 -0.695574 78 C s 1866 0.630324 125 C s 2436 -0.574260 163 C s 291 -0.564180 20 C s 486 0.559387 33 C s 2856 0.550695 191 C s 1701 0.536294 114 C s 171 -0.504989 12 C s Vector 1116 Occ=0.000000D+00 E= 5.001506D-01 MO Center= -5.5D-02, 2.8D-02, 1.5D-01, r^2= 5.1D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 186 0.854947 13 C s 1506 -0.844978 101 C s 1956 0.792336 131 C s 1791 -0.771016 120 C s 261 -0.701580 18 C s 2451 -0.702683 164 C s 2646 0.671799 177 C s 2391 0.639872 160 C s 1971 -0.612948 132 C s 1776 0.600921 119 C s center of mass -------------- x = 0.00000000 y = 0.00000000 z = 0.00000000 moments of inertia (a.u.) ------------------ 347280.027911549667 30.176314470486 158.566643858930 30.176314470486 347661.167754007271 -188.204847796730 158.566643858930 -188.204847796730 347347.805336814257 Multipole analysis of the density --------------------------------- L x y z total alpha beta nuclear - - - - ----- ----- ---- ------- 0 0 0 0 -0.000000 -720.000000 -720.000000 1440.000000 1 1 0 0 -0.111412 -0.055706 -0.055706 0.000000 1 0 1 0 -0.381474 -0.190737 -0.190737 0.000000 1 0 0 1 -2.225355 -1.112677 -1.112677 0.000000 2 2 0 0 -947.413817 -43939.825056 -43939.825056 86932.236295 2 1 1 0 13.336519 14.212338 14.212338 -15.088157 2 1 0 1 0.230889 39.757106 39.757106 -79.283322 2 0 2 0 -964.083522 -43852.874948 -43852.874948 86741.666374 2 0 1 1 3.956091 -45.073167 -45.073167 94.102424 2 0 0 2 -981.711168 -43940.029375 -43940.029375 86898.347582 !! warning: dft energy failed Task times cpu: 955.2s wall: 964.2s NWChem Input Module ------------------- Summary of allocated global arrays ----------------------------------- No active global arrays GA Statistics for process 0 ------------------------------ create destroy get put acc scatter gather read&inc calls: 102 102 5.46e+04 2.32e+04 2.18e+04 0 0 1176 number of processes/call 1.40e+00 1.14e+00 1.15e+00 0.00e+00 0.00e+00 bytes total: 2.28e+09 3.46e+08 1.50e+09 0.00e+00 0.00e+00 9.41e+03 bytes remote: 2.15e+09 3.23e+08 1.46e+09 0.00e+00 0.00e+00 0.00e+00 Max memory consumed for GA by this process: 222566400 bytes MA_summarize_allocated_blocks: starting scan ... heap block 'gridpts', handle 112, address 0x12be1db0: type of elements: double precision number of elements: 16614935 address of client space: 0x12be1e40 index for client space: 8464369 total number of bytes: 132919632 MA_summarize_allocated_blocks: scan completed: 1 heap block, 0 stack blocks MA usage statistics: allocation statistics: heap stack ---- ----- current number of blocks 1 0 maximum number of blocks 24 51 current total bytes 132919632 0 maximum total bytes 138183712 599343400 maximum total K-bytes 138184 599344 maximum total M-bytes 139 600 CITATION -------- Please cite the following reference when publishing results obtained with NWChem: M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong "NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010) doi:10.1016/j.cpc.2010.04.018 AUTHORS ------- E. Apra, E. J. Bylaska, W. A. de Jong, N. Govind, K. Kowalski, T. P. Straatsma, M. Valiev, H. J. J. van Dam, D. Wang, T. L. Windus, J. Hammond, J. Autschbach, K. Bhaskaran-Nair, J. Brabec, K. Lopata, S. A. Fischer, S. Krishnamoorthy, W. Ma, M. Klemm, O. Villa, Y. Chen, V. Anisimov, F. Aquino, S. Hirata, M. T. Hackler, T. Risthaus, M. Malagoli, A. Marenich, A. Otero-de-la-Roza, J. Mullin, P. Nichols, R. Peverati, J. Pittner, Y. Zhao, P.-D. Fan, A. Fonari, M. Williamson, R. J. Harrison, J. R. Rehr, M. Dupuis, D. Silverstein, D. M. A. Smith, J. Nieplocha, V. Tipparaju, M. Krishnan, B. E. Van Kuiken, A. Vazquez-Mayagoitia, L. Jensen, M. Swart, Q. Wu, T. Van Voorhis, A. A. Auer, M. Nooijen, L. D. Crosby, E. Brown, G. Cisneros, G. I. Fann, H. Fruchtl, J. Garza, K. Hirao, R. A. Kendall, J. A. Nichols, K. Tsemekhman, K. Wolinski, J. Anchell, D. E. Bernholdt, P. Borowski, T. Clark, D. Clerc, H. Dachsel, M. J. O. Deegan, K. Dyall, D. Elwood, E. Glendening, M. Gutowski, A. C. Hess, J. Jaffe, B. G. Johnson, J. Ju, R. Kobayashi, R. Kutteh, Z. Lin, R. Littlefield, X. Long, B. Meng, T. Nakajima, S. Niu, L. Pollack, M. Rosing, K. Glaesemann, G. Sandrone, M. Stave, H. Taylor, G. Thomas, J. H. van Lenthe, A. T. Wong, Z. Zhang. Total times cpu: 955.3s wall: 964.5s Application 1083213 resources: utime ~245476s, stime ~1626s, Rss ~898988, inblocks ~4209695, outblocks ~3664983 Displaying status file: verified [SSH] completed [SSH] exit-status: 0 [workspace] $ /bin/sh -xe /tmp/jenkins1561075225093004166.sh + scp JYC_REMOTE:/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NWCHEM/workspace + scp JYC_REMOTE:/scratch/system/bwjenkins/tests/nwchem/6.6/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NWCHEM/workspace Recording plot data Saving plot series data from: /var/lib/jenkins/jobs/NWCHEM/workspace/wallclock Saving plot series data from: /var/lib/jenkins/jobs/NWCHEM/workspace/memory Finished: SUCCESS