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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/jenkins15061254080620487812.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] 19926 converting bas_blasP.F to 32-bit integers for BLAS/LAPACK [2] 19927 converting basis.F to 32-bit integers for BLAS/LAPACK [3] 19928 [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] 22804 converting geom_input.F to 32-bit integers for BLAS/LAPACK [2] 22805 converting geom_print_ecce.F to 32-bit integers for BLAS/LAPACK [3] 22806 converting geom_hnd.F to 32-bit integers for BLAS/LAPACK [4] 22807 [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] 22809 converting geom_getsym.F to 32-bit integers for BLAS/LAPACK [2] 22810 [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] 7738 converting task_bsse.F to 32-bit integers for BLAS/LAPACK [2] 7739 [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] 10612 converting sym_g_sym.F to 32-bit integers for BLAS/LAPACK [2] 10613 converting sym_geom_prj.F to 32-bit integers for BLAS/LAPACK [3] 10614 converting sym_mo_adapt.F to 32-bit integers for BLAS/LAPACK [4] 10615 [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] 10616 converting sym_op_mtab.F to 32-bit integers for BLAS/LAPACK [2] 10617 converting sym_put_geom.F to 32-bit integers for BLAS/LAPACK [3] 10618 converting dosymops.F to 32-bit integers for BLAS/LAPACK [4] 10619 [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] 10620 converting sym_bs_ir_id.F to 32-bit integers for BLAS/LAPACK [2] 10621 [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] 16853 converting ga_it_lsolve.F to 32-bit integers for BLAS/LAPACK [2] 16854 converting ga_maxelt.F to 32-bit integers for BLAS/LAPACK [3] 16855 converting ga_mix.F to 32-bit integers for BLAS/LAPACK [4] 16856 [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] 16857 converting ga_orthog.F to 32-bit integers for BLAS/LAPACK [2] 16858 converting dabsmax.F to 32-bit integers for BLAS/LAPACK [3] 16859 converting ga_normf.F to 32-bit integers for BLAS/LAPACK [4] 16860 [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] 16861 converting ga_it2.F to 32-bit integers for BLAS/LAPACK [2] 16862 converting ga_lkain_ext.F to 32-bit integers for BLAS/LAPACK [3] 16863 converting util_file_name.F to 32-bit integers for BLAS/LAPACK [4] 16864 [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] 16865 converting util_patch_test.F to 32-bit integers for BLAS/LAPACK [2] 16866 converting stpr_sjacobi.F to 32-bit integers for BLAS/LAPACK [3] 16867 converting util_dgeev.F to 32-bit integers for BLAS/LAPACK [4] 16868 [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] 16869 [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] 21616 converting chol_bcst.c to 32-bit integers for BLAS/LAPACK [2] 21617 converting choleski9.c to 32-bit integers for BLAS/LAPACK [3] 21618 converting ci_entry.c to 32-bit integers for BLAS/LAPACK [4] 21619 [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] 21620 converting clustrf4.c to 32-bit integers for BLAS/LAPACK [2] 21621 converting clustrf5.c to 32-bit integers for BLAS/LAPACK [3] 21622 converting clustrfix.c to 32-bit integers for BLAS/LAPACK [4] 21623 [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] 21624 converting clustrxx31.c to 32-bit integers for BLAS/LAPACK [2] 21625 converting clustrxx33.c to 32-bit integers for BLAS/LAPACK [3] 21626 converting clustrxx3.c to 32-bit integers for BLAS/LAPACK [4] 21627 [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] 21628 converting clustrxx5.c to 32-bit integers for BLAS/LAPACK [2] 21629 converting clustrxx99.c to 32-bit integers for BLAS/LAPACK [3] 21630 converting conjug22.c to 32-bit integers for BLAS/LAPACK [4] 21631 [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] 21632 converting exit2.c to 32-bit integers for BLAS/LAPACK [2] 21633 converting exit.c to 32-bit integers for BLAS/LAPACK [3] 21634 converting forLL.c to 32-bit integers for BLAS/LAPACK [4] 21635 [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] 21636 converting gmax.c to 32-bit integers for BLAS/LAPACK [2] 21637 converting inverse.c to 32-bit integers for BLAS/LAPACK [3] 21638 converting inv_it3.c to 32-bit integers for BLAS/LAPACK [4] 21639 [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] 21640 converting inv_it4.c to 32-bit integers for BLAS/LAPACK [2] 21641 converting inv_it5.c to 32-bit integers for BLAS/LAPACK [3] 21642 converting inv_it6.c to 32-bit integers for BLAS/LAPACK [4] 21643 [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] 21644 converting mapchk.c to 32-bit integers for BLAS/LAPACK [2] 21645 converting mapdif1.c to 32-bit integers for BLAS/LAPACK [3] 21646 converting mapdif.c to 32-bit integers for BLAS/LAPACK [4] 21647 [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] 21648 converting mdif2b.c to 32-bit integers for BLAS/LAPACK [2] 21649 converting mdiff1.c to 32-bit integers for BLAS/LAPACK [3] 21650 converting mdiff2.c to 32-bit integers for BLAS/LAPACK [4] 21651 [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] 21652 converting memreq.c to 32-bit integers for BLAS/LAPACK [2] 21653 converting memreq_eval.c to 32-bit integers for BLAS/LAPACK [3] 21654 converting memreq_f.c to 32-bit integers for BLAS/LAPACK [4] 21655 [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] 21656 converting mgs5.c to 32-bit integers for BLAS/LAPACK [2] 21657 converting mgscs.c to 32-bit integers for BLAS/LAPACK [3] 21658 converting mxm25.c to 32-bit integers for BLAS/LAPACK [4] 21659 [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] 21660 converting mxm88.c to 32-bit integers for BLAS/LAPACK [2] 21661 converting mxm_ll1.c to 32-bit integers for BLAS/LAPACK [3] 21662 converting onenorm.c to 32-bit integers for BLAS/LAPACK [4] 21663 [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] 21664 converting ortho.c to 32-bit integers for BLAS/LAPACK [2] 21665 converting pdcomplex.c to 32-bit integers for BLAS/LAPACK [3] 21666 converting pdiff.c to 32-bit integers for BLAS/LAPACK [4] 21667 [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] 21668 converting pdspev_c.c to 32-bit integers for BLAS/LAPACK [2] 21669 converting pdspevx.c to 32-bit integers for BLAS/LAPACK [3] 21670 converting pdspgv_c.c to 32-bit integers for BLAS/LAPACK [4] 21671 [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] 21672 converting pdsptri2.c to 32-bit integers for BLAS/LAPACK [2] 21673 converting pdsptri.c to 32-bit integers for BLAS/LAPACK [3] 21674 converting peigs_dlasq1.c to 32-bit integers for BLAS/LAPACK [4] 21675 [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] 21676 converting pgexit.c to 32-bit integers for BLAS/LAPACK [2] 21677 converting pipe_fut.c to 32-bit integers for BLAS/LAPACK [3] 21678 converting pmmlsl2.c to 32-bit integers for BLAS/LAPACK [4] 21679 [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] 21680 converting pmmLUL.c to 32-bit integers for BLAS/LAPACK [2] 21681 converting pscale.c to 32-bit integers for BLAS/LAPACK [3] 21682 converting pstebz10.c to 32-bit integers for BLAS/LAPACK [4] 21683 [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] 21684 converting pstebz9.c to 32-bit integers for BLAS/LAPACK [2] 21685 converting pstein3.c to 32-bit integers for BLAS/LAPACK [3] 21686 converting pstein44.c to 32-bit integers for BLAS/LAPACK [4] 21687 [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] 21688 converting pstein5.c to 32-bit integers for BLAS/LAPACK [2] 21689 converting pxerbla.c to 32-bit integers for BLAS/LAPACK [3] 21690 converting qsort.c to 32-bit integers for BLAS/LAPACK [4] 21691 [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] 21692 converting resid.c to 32-bit integers for BLAS/LAPACK [2] 21693 converting residual.c to 32-bit integers for BLAS/LAPACK [3] 21694 converting r_ritz.c to 32-bit integers for BLAS/LAPACK [4] 21695 [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] 21696 converting shellsort.c to 32-bit integers for BLAS/LAPACK [2] 21697 converting soluf.c to 32-bit integers for BLAS/LAPACK [3] 21698 converting sonenorm.c to 32-bit integers for BLAS/LAPACK [4] 21699 [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] 21700 converting sort.c to 32-bit integers for BLAS/LAPACK [2] 21701 converting sorteig.c to 32-bit integers for BLAS/LAPACK [3] 21702 converting tred22.c to 32-bit integers for BLAS/LAPACK [4] 21703 [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] 21704 converting tresid.c to 32-bit integers for BLAS/LAPACK [2] 21705 converting util.c to 32-bit integers for BLAS/LAPACK [3] 21706 converting xerbla.c to 32-bit integers for BLAS/LAPACK [4] 21707 [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] 21708 converting gdot.F to 32-bit integers for BLAS/LAPACK [2] 21709 [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] 24072 converting inverm.F to 32-bit integers for BLAS/LAPACK [2] 24073 converting dgetavec.F to 32-bit integers for BLAS/LAPACK [3] 24074 converting dgetavec2.f to 32-bit integers for BLAS/LAPACK [4] 24075 [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] 24076 converting dgetavec4.F to 32-bit integers for BLAS/LAPACK [2] 24077 converting dptsvx2.f to 32-bit integers for BLAS/LAPACK [3] 24078 converting dspevx2.F to 32-bit integers for BLAS/LAPACK [4] 24079 [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] 26441 converting mxbrod.F to 32-bit integers for BLAS/LAPACK [2] 26442 converting mxcombv1.F to 32-bit integers for BLAS/LAPACK [3] 26443 converting mxsubs.F to 32-bit integers for BLAS/LAPACK [4] 26444 [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] 26445 converting sum.F to 32-bit integers for BLAS/LAPACK [2] 26446 [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] 28810 converting choleski_f.c to 32-bit integers for BLAS/LAPACK [2] 28811 converting inverse_f.c to 32-bit integers for BLAS/LAPACK [3] 28812 converting mxm25_f.c to 32-bit integers for BLAS/LAPACK [4] 28813 [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] 28814 converting mxm88_f.c to 32-bit integers for BLAS/LAPACK [2] 28815 converting onenorm_f.c to 32-bit integers for BLAS/LAPACK [3] 28816 converting ortho_f.c to 32-bit integers for BLAS/LAPACK [4] 28817 [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] 28818 converting pdspevx_f.c to 32-bit integers for BLAS/LAPACK [2] 28819 converting pdspgv_f.c to 32-bit integers for BLAS/LAPACK [3] 28820 converting pdspgvx_f.c to 32-bit integers for BLAS/LAPACK [4] 28821 [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] 28822 converting resid_f.c to 32-bit integers for BLAS/LAPACK [2] 28823 converting residual_f.c to 32-bit integers for BLAS/LAPACK [3] 28824 converting sonenorm_f.c to 32-bit integers for BLAS/LAPACK [4] 28825 [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] 28826 [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] 2091 [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] 11702 converting int_hf1sp.F to 32-bit integers for BLAS/LAPACK [2] 11703 converting int_lgen1e.F to 32-bit integers for BLAS/LAPACK [3] 11704 converting intb_2e4c.F to 32-bit integers for BLAS/LAPACK [4] 11705 [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] 11706 converting intd_1e3ov.F to 32-bit integers for BLAS/LAPACK [2] 11707 converting intd_1eh1.F to 32-bit integers for BLAS/LAPACK [3] 11708 converting intd_2e2c.F to 32-bit integers for BLAS/LAPACK [4] 11709 [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] 11710 converting intd_mpolel.F to 32-bit integers for BLAS/LAPACK [2] 11711 converting intp_txyz.F to 32-bit integers for BLAS/LAPACK [3] 11712 converting intpd_mpolel.F to 32-bit integers for BLAS/LAPACK [4] 11713 [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] 11714 converting int_2e4c.F to 32-bit integers for BLAS/LAPACK [2] 11715 converting intdd_2e2c.F to 32-bit integers for BLAS/LAPACK [3] 11716 converting intdd_2e3c.F to 32-bit integers for BLAS/LAPACK [4] 11717 [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] 11718 converting intdd_2e4c.F to 32-bit integers for BLAS/LAPACK [2] 11719 converting intd_1epot.F to 32-bit integers for BLAS/LAPACK [3] 11720 converting intd_1epot_cosmo.F to 32-bit integers for BLAS/LAPACK [4] 11721 [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] 11722 converting intpd_2e3c.F to 32-bit integers for BLAS/LAPACK [2] 11723 converting intpd_1eke.F to 32-bit integers for BLAS/LAPACK [3] 11724 converting intpd_2e2c.F to 32-bit integers for BLAS/LAPACK [4] 11725 [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] 11726 [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] 14679 converting hfkei.f to 32-bit integers for BLAS/LAPACK [2] 14680 converting hfnai.f to 32-bit integers for BLAS/LAPACK [3] 14681 converting hfnai_er.F to 32-bit integers for BLAS/LAPACK [4] 14682 [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] 14683 converting igamma.F to 32-bit integers for BLAS/LAPACK [2] 14684 converting hferi.F to 32-bit integers for BLAS/LAPACK [3] 14685 converting hf1.F to 32-bit integers for BLAS/LAPACK [4] 14686 [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] 14687 [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] 17550 converting spherical.F to 32-bit integers for BLAS/LAPACK [2] 17551 converting xlm_norm.F to 32-bit integers for BLAS/LAPACK [3] 17552 converting xlmcoeff.F to 32-bit integers for BLAS/LAPACK [4] 17553 [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] 17554 converting int_spcart2.F to 32-bit integers for BLAS/LAPACK [2] 17555 [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] 20440 [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] 23306 converting hf1d.F to 32-bit integers for BLAS/LAPACK [2] 23307 converting hf2PRtoAB.f to 32-bit integers for BLAS/LAPACK [3] 23308 converting hf2QStoCD.f to 32-bit integers for BLAS/LAPACK [4] 23309 [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] 23310 converting hf2d_2a.F to 32-bit integers for BLAS/LAPACK [2] 23311 converting hf2d_2a2b.F to 32-bit integers for BLAS/LAPACK [3] 23312 converting hf2d_2b.F to 32-bit integers for BLAS/LAPACK [4] 23313 [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] 23314 converting hf2d_3a2b.F to 32-bit integers for BLAS/LAPACK [2] 23315 converting hfd3oi.F to 32-bit integers for BLAS/LAPACK [3] 23316 converting hf2d_all.F to 32-bit integers for BLAS/LAPACK [4] 23317 [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] 23318 converting hf1d_cosmo.F to 32-bit integers for BLAS/LAPACK [2] 23319 [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] 26183 converting big_service.F to 32-bit integers for BLAS/LAPACK [2] 26184 converting trobsa.F to 32-bit integers for BLAS/LAPACK [3] 26185 converting getmem.F to 32-bit integers for BLAS/LAPACK [4] 26186 [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] 29051 converting ecp_cart_xpd.F to 32-bit integers for BLAS/LAPACK [2] 29052 converting ecp_cstrans.F to 32-bit integers for BLAS/LAPACK [3] 29053 converting ecp_grad_a.F to 32-bit integers for BLAS/LAPACK [4] 29054 [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] 29055 converting ecp_gradient.F to 32-bit integers for BLAS/LAPACK [2] 29056 converting ecp_hessian.F to 32-bit integers for BLAS/LAPACK [3] 29057 converting ecp_int0.F to 32-bit integers for BLAS/LAPACK [4] 29058 [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] 29059 converting ecp_int2.F to 32-bit integers for BLAS/LAPACK [2] 29060 converting ecp_integral.F to 32-bit integers for BLAS/LAPACK [3] 29061 converting ecp_local0.F to 32-bit integers for BLAS/LAPACK [4] 29062 [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] 29063 converting ecp_local2.F to 32-bit integers for BLAS/LAPACK [2] 29064 converting ecp_locint1.F to 32-bit integers for BLAS/LAPACK [3] 29065 converting ecp_radint0.F to 32-bit integers for BLAS/LAPACK [4] 29066 [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] 29067 converting ecp_radint2.F to 32-bit integers for BLAS/LAPACK [2] 29068 converting ecp_s2ccoef.f to 32-bit integers for BLAS/LAPACK [3] 29069 converting ecp_so_ang.F to 32-bit integers for BLAS/LAPACK [4] 29070 [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] 29071 converting ecp_t1_Q3asy.F to 32-bit integers for BLAS/LAPACK [2] 29072 converting ecp_t1_Q0pow.F to 32-bit integers for BLAS/LAPACK [3] 29073 converting ecp_t1_Q1pow.F to 32-bit integers for BLAS/LAPACK [4] 29074 [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] 29075 converting ecp_t2_p0pow.F to 32-bit integers for BLAS/LAPACK [2] 29076 converting ecp_t2_p1pow.F to 32-bit integers for BLAS/LAPACK [3] 29077 converting ecp_t2_p3pow.F to 32-bit integers for BLAS/LAPACK [4] 29078 [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] 29079 converting ecp_skipint.F to 32-bit integers for BLAS/LAPACK [2] 29080 converting int_ecp.F to 32-bit integers for BLAS/LAPACK [3] 29081 [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] 31948 converting hnd_stvintd.F to 32-bit integers for BLAS/LAPACK [2] 31949 converting hnd_stvintdd.F to 32-bit integers for BLAS/LAPACK [3] 31950 converting hnd_elfder.F to 32-bit integers for BLAS/LAPACK [4] 31951 [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] 31952 converting hnd_dso.F to 32-bit integers for BLAS/LAPACK [2] 31953 converting hnd_giaoh11.F to 32-bit integers for BLAS/LAPACK [3] 31954 converting hnd_giaoh01.F to 32-bit integers for BLAS/LAPACK [4] 31955 [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] 31956 converting hnd_giaobq10.F to 32-bit integers for BLAS/LAPACK [2] 31957 converting hnd_giaol10.F to 32-bit integers for BLAS/LAPACK [3] 31958 converting hnd_giaos10.F to 32-bit integers for BLAS/LAPACK [4] 31959 [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] 31960 converting hnd_vstat.F to 32-bit integers for BLAS/LAPACK [2] 31961 converting hnd_veloc.F to 32-bit integers for BLAS/LAPACK [3] 31962 converting hnd_dipder.F to 32-bit integers for BLAS/LAPACK [4] 31963 [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] 31964 converting hnd_dipvel.F to 32-bit integers for BLAS/LAPACK [2] 31965 converting hnd_giahnd.F to 32-bit integers for BLAS/LAPACK [3] 31966 [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] 2366 converting rel_oneld.F to 32-bit integers for BLAS/LAPACK [2] 2367 converting rel_mpole.F to 32-bit integers for BLAS/LAPACK [3] 2368 converting rel_2e4c_sf.F to 32-bit integers for BLAS/LAPACK [4] 2369 [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] 2370 converting rel_SSLL.F to 32-bit integers for BLAS/LAPACK [2] 2371 converting rel_SSSS.F to 32-bit integers for BLAS/LAPACK [3] 2372 converting rel_2e4cd_sf.F to 32-bit integers for BLAS/LAPACK [4] 2373 [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] 2374 converting rel_SSLLd.F to 32-bit integers for BLAS/LAPACK [2] 2375 converting rel_SSSSd.F to 32-bit integers for BLAS/LAPACK [3] 2376 converting rel_pot.F to 32-bit integers for BLAS/LAPACK [4] 2377 [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] 2378 [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] 5281 converting int_1edkso_ga.F to 32-bit integers for BLAS/LAPACK [2] 5282 [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] 8305 converting atscf_atscf.F to 32-bit integers for BLAS/LAPACK [2] 8306 converting atscf_ecp.F to 32-bit integers for BLAS/LAPACK [3] 8307 [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] 14097 converting pot_shell.F to 32-bit integers for BLAS/LAPACK [2] 14098 converting fmm.F to 32-bit integers for BLAS/LAPACK [3] 14099 converting newfmm.F to 32-bit integers for BLAS/LAPACK [4] 14100 [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] 14101 converting cart_trans.F to 32-bit integers for BLAS/LAPACK [2] 14102 converting xlm_poles.F to 32-bit integers for BLAS/LAPACK [3] 14103 converting fastj.F to 32-bit integers for BLAS/LAPACK [4] 14104 [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] 14105 [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] 14108 converting ao_replicated.F to 32-bit integers for BLAS/LAPACK [2] 14109 converting fock_2e_file.F to 32-bit integers for BLAS/LAPACK [3] 14110 converting fock_2e_slab.F to 32-bit integers for BLAS/LAPACK [4] 14111 [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] 14112 converting movecs_lock.F to 32-bit integers for BLAS/LAPACK [2] 14113 converting movecs_phase.F to 32-bit integers for BLAS/LAPACK [3] 14114 converting riscf_fock.F to 32-bit integers for BLAS/LAPACK [4] 14115 [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] 14116 converting rohf_diis.F to 32-bit integers for BLAS/LAPACK [2] 14117 converting rohf_k2cf.F to 32-bit integers for BLAS/LAPACK [3] 14118 converting scf_movecs.F to 32-bit integers for BLAS/LAPACK [4] 14119 [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] 14120 converting uhf.F to 32-bit integers for BLAS/LAPACK [2] 14121 converting movecs_frag.F to 32-bit integers for BLAS/LAPACK [3] 14122 converting localize.F to 32-bit integers for BLAS/LAPACK [4] 14123 [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] 14124 converting fock_2e_cam.F to 32-bit integers for BLAS/LAPACK [2] 14125 converting int_1e_ga.F to 32-bit integers for BLAS/LAPACK [3] 14126 converting movecs_rotate.F to 32-bit integers for BLAS/LAPACK [4] 14127 [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] 14128 converting ga_get2eri.F to 32-bit integers for BLAS/LAPACK [2] 14129 [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] 17024 converting ga_reorder.F to 32-bit integers for BLAS/LAPACK [2] 17025 converting grad_dens.F to 32-bit integers for BLAS/LAPACK [3] 17026 [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] 19902 converting moints_6x.F to 32-bit integers for BLAS/LAPACK [2] 19903 converting moints_aux2.F to 32-bit integers for BLAS/LAPACK [3] 19904 converting moints_ccsd.F to 32-bit integers for BLAS/LAPACK [4] 19905 [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] 19906 converting moints_semi.F to 32-bit integers for BLAS/LAPACK [2] 19907 converting sifs0.F to 32-bit integers for BLAS/LAPACK [3] 19908 converting sifs1.F to 32-bit integers for BLAS/LAPACK [4] 19909 [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] 25650 [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] 31402 converting diis_bld12.F to 32-bit integers for BLAS/LAPACK [2] 31403 converting diis_bsolve.F to 32-bit integers for BLAS/LAPACK [3] 31404 converting dft_densm.F to 32-bit integers for BLAS/LAPACK [4] 31405 [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] 31406 converting dft_canorg.F to 32-bit integers for BLAS/LAPACK [2] 31407 converting cdft_util.F to 32-bit integers for BLAS/LAPACK [3] 31408 [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] 4702 converting diis_bld12_so.F to 32-bit integers for BLAS/LAPACK [2] 4703 converting diis_bsolve_so.F to 32-bit integers for BLAS/LAPACK [3] 4704 converting sym_mo_adapt_so.F to 32-bit integers for BLAS/LAPACK [4] 4705 [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] 4706 converting dft_scf_so.F to 32-bit integers for BLAS/LAPACK [2] 4707 converting ga_orthog_so.F to 32-bit integers for BLAS/LAPACK [3] 4708 converting dft_scf_utils_so.F to 32-bit integers for BLAS/LAPACK [4] 4709 [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] 7745 converting dft_fitvc.F to 32-bit integers for BLAS/LAPACK [2] 7746 converting dft_genspm.F to 32-bit integers for BLAS/LAPACK [3] 7747 converting dft_3cincor.F to 32-bit integers for BLAS/LAPACK [4] 7748 [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] 7749 [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] 10620 converting xc_dirac.F to 32-bit integers for BLAS/LAPACK [2] 10621 converting xc_bnl.F to 32-bit integers for BLAS/LAPACK [3] 10622 converting xc_att_xc.F to 32-bit integers for BLAS/LAPACK [4] 10623 [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] 10624 converting xc_rhogen.F to 32-bit integers for BLAS/LAPACK [2] 10625 converting xc_oep.F to 32-bit integers for BLAS/LAPACK [3] 10626 converting xc_sic_pert.F to 32-bit integers for BLAS/LAPACK [4] 10627 [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] 10628 converting localize_sic.F to 32-bit integers for BLAS/LAPACK [2] 10629 converting xc_eval_basis.F to 32-bit integers for BLAS/LAPACK [3] 10630 converting xc_eval_fnl.F to 32-bit integers for BLAS/LAPACK [4] 10631 [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] 10632 converting xc_optc.F to 32-bit integers for BLAS/LAPACK [2] 10633 converting xc_atomblock.F to 32-bit integers for BLAS/LAPACK [3] 10634 converting scat_mat.F to 32-bit integers for BLAS/LAPACK [4] 10635 [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] 10636 converting xc_vdw_main.F to 32-bit integers for BLAS/LAPACK [2] 10637 converting xc_vdw_util.F to 32-bit integers for BLAS/LAPACK [3] 10638 converting xc_3rd_deriv.F to 32-bit integers for BLAS/LAPACK [4] 10639 [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] 13513 converting ga_inv_seq.F to 32-bit integers for BLAS/LAPACK [2] 13514 [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] 16456 converting grid_beckew.F to 32-bit integers for BLAS/LAPACK [2] 16457 converting grid_file.F to 32-bit integers for BLAS/LAPACK [3] 16458 converting grid_setspac.F to 32-bit integers for BLAS/LAPACK [4] 16459 [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] 16460 converting grid_quadv0b.F to 32-bit integers for BLAS/LAPACK [2] 16461 converting grid_quadvw.F to 32-bit integers for BLAS/LAPACK [3] 16462 converting grid_tasks.F to 32-bit integers for BLAS/LAPACK [4] 16463 [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] 16464 converting grid_quadvw1.F to 32-bit integers for BLAS/LAPACK [2] 16465 converting grid_xcfit.F to 32-bit integers for BLAS/LAPACK [3] 16466 converting grid_sympts.F to 32-bit integers for BLAS/LAPACK [4] 16467 [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] 16468 converting grid_finpts.F to 32-bit integers for BLAS/LAPACK [2] 16469 converting grid_ylm.F to 32-bit integers for BLAS/LAPACK [3] 16470 converting grid_eaf.F to 32-bit integers for BLAS/LAPACK [4] 16471 [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] 19347 converting dftg_quadv0b.F to 32-bit integers for BLAS/LAPACK [2] 19348 converting dftg_wderiv.F to 32-bit integers for BLAS/LAPACK [3] 19349 converting j_nucder_gen.F to 32-bit integers for BLAS/LAPACK [4] 19350 [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] 19351 converting dftg_gridv0a.F to 32-bit integers for BLAS/LAPACK [2] 19352 converting dftg_gridv0b.F to 32-bit integers for BLAS/LAPACK [3] 19353 [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] 22228 converting tddft_transfm.F to 32-bit integers for BLAS/LAPACK [2] 22229 [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] 25196 converting tddft_grad_compute_w.F to 32-bit integers for BLAS/LAPACK [2] 25197 converting tddft_grad_dxcdmat.F to 32-bit integers for BLAS/LAPACK [3] 25198 converting tddft_grad_dfxc.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 tddft_grad_quadv0b.F to 32-bit integers for BLAS/LAPACK [1] 25269 converting tddft_grad_dvxc.F to 32-bit integers for BLAS/LAPACK [2] 25270 [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] 28781 converting dft_zora_EPR-NMR_tools.F to 32-bit integers for BLAS/LAPACK [2] 28782 converting zora_tabcd.F to 32-bit integers for BLAS/LAPACK [3] 28783 converting dft_zora_EPR.F to 32-bit integers for BLAS/LAPACK [4] 28784 [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] 28785 converting zora_tabcd_EFG.F to 32-bit integers for BLAS/LAPACK [2] 28786 [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] 28136 converting eval_3ci.F to 32-bit integers for BLAS/LAPACK [2] 28137 converting rimp2_v_e2.F to 32-bit integers for BLAS/LAPACK [3] 28138 converting xf3ci_s12a.F to 32-bit integers for BLAS/LAPACK [4] 28139 [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] 28140 [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] 31147 converting stpr_mkstep.F to 32-bit integers for BLAS/LAPACK [2] 31148 converting stpr_partit.F to 32-bit integers for BLAS/LAPACK [3] 31149 converting stpr_gh_at.F to 32-bit integers for BLAS/LAPACK [4] 31150 [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] 1946 converting oniom.F to 32-bit integers for BLAS/LAPACK [2] 1947 converting lbfgs.F to 32-bit integers for BLAS/LAPACK [3] 1948 converting lbfgs-b.F to 32-bit integers for BLAS/LAPACK [4] 1949 [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] 1951 [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] 10741 [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] 13616 [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] 16557 converting neb_utils.F to 32-bit integers for BLAS/LAPACK [2] 16558 converting bead_list.F to 32-bit integers for BLAS/LAPACK [3] 16559 converting neb_input.F to 32-bit integers for BLAS/LAPACK [4] 16560 [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] 19436 [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] 25174 converting ccsd_t2pm.F to 32-bit integers for BLAS/LAPACK [2] 25175 converting ccsd_fsig1.F to 32-bit integers for BLAS/LAPACK [3] 25176 converting ccsd_fsig2.F to 32-bit integers for BLAS/LAPACK [4] 25177 [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] 25178 converting ccsd_pampt2.F to 32-bit integers for BLAS/LAPACK [2] 25179 converting ccsd_pampt3.F to 32-bit integers for BLAS/LAPACK [3] 25180 converting ccsd_pdiis.F to 32-bit integers for BLAS/LAPACK [4] 25181 [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] 25182 converting ccsd_trpdrv.F to 32-bit integers for BLAS/LAPACK [2] 25183 converting ccsd_trpdrv_omp.F to 32-bit integers for BLAS/LAPACK [3] 25184 converting moints_trp.F to 32-bit integers for BLAS/LAPACK [4] 25185 [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] 25186 converting ccsd_z2pm.F to 32-bit integers for BLAS/LAPACK [2] 25187 converting ccsd_tzinta.F to 32-bit integers for BLAS/LAPACK [3] 25188 converting ccsd_tzintb.F to 32-bit integers for BLAS/LAPACK [4] 25189 [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] 25190 converting ccsd_zsig2.F to 32-bit integers for BLAS/LAPACK [2] 25191 converting ccden_interm2.F to 32-bit integers for BLAS/LAPACK [3] 25192 converting ccden_1pdm.F to 32-bit integers for BLAS/LAPACK [4] 25193 [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] 25194 converting ccsd_mktau_ga.F to 32-bit integers for BLAS/LAPACK [2] 25195 converting ccden_2pdmb.F to 32-bit integers for BLAS/LAPACK [3] 25196 converting aoccsd2.F to 32-bit integers for BLAS/LAPACK [4] 25197 [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] 25198 [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] 28062 converting vib_hmass.F to 32-bit integers for BLAS/LAPACK [2] 28063 converting vib_intense.F to 32-bit integers for BLAS/LAPACK [3] 28064 converting vib_nmass.F to 32-bit integers for BLAS/LAPACK [4] 28065 [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] 28066 converting vib_vib.F to 32-bit integers for BLAS/LAPACK [2] 28067 converting vib_wrtfreq.F to 32-bit integers for BLAS/LAPACK [3] 28068 converting vib_istep.F to 32-bit integers for BLAS/LAPACK [4] 28069 [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] 28070 converting vib_phonon.F to 32-bit integers for BLAS/LAPACK [2] 28071 [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] 1329 converting detci_dens.F to 32-bit integers for BLAS/LAPACK [2] 1330 converting detci_diag.F to 32-bit integers for BLAS/LAPACK [3] 1331 converting detci_sigma.F to 32-bit integers for BLAS/LAPACK [4] 1332 [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] 1333 [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] 1336 converting mcscf_aux.F to 32-bit integers for BLAS/LAPACK [2] 1337 converting mcscf_b.F to 32-bit integers for BLAS/LAPACK [3] 1338 converting mcscf_debug.F to 32-bit integers for BLAS/LAPACK [4] 1339 [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] 1340 converting mcscf_ohvmo.F to 32-bit integers for BLAS/LAPACK [2] 1341 converting mcscf_orb.F to 32-bit integers for BLAS/LAPACK [3] 1342 converting mcscf_prcnd.F to 32-bit integers for BLAS/LAPACK [4] 1343 [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] 7245 converting esp_denmat.F to 32-bit integers for BLAS/LAPACK [2] 7246 [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] 15951 converting xc_d2expl.F to 32-bit integers for BLAS/LAPACK [2] 15952 converting xc_nucder_gen.F to 32-bit integers for BLAS/LAPACK [3] 15953 [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] 15956 converting hess_restart.F to 32-bit integers for BLAS/LAPACK [2] 15957 converting shell_fock_build.F to 32-bit integers for BLAS/LAPACK [3] 15958 converting shell_fock_build_cam.F to 32-bit integers for BLAS/LAPACK [4] 15959 [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] 15960 [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] 15963 [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] 19326 converting fcidim.F to 32-bit integers for BLAS/LAPACK [2] 19327 converting makeh.F to 32-bit integers for BLAS/LAPACK [3] 19328 converting makehs.F to 32-bit integers for BLAS/LAPACK [4] 19329 [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] 19418 converting tester.F to 32-bit integers for BLAS/LAPACK [2] 19419 converting selci_hpp.F to 32-bit integers for BLAS/LAPACK [3] 19420 [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] 22578 converting dmat.F to 32-bit integers for BLAS/LAPACK [2] 22579 converting create_contour.F to 32-bit integers for BLAS/LAPACK [3] 22580 converting get_charges.F to 32-bit integers for BLAS/LAPACK [4] 22581 [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] 22582 [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] 25445 converting mp2_lai_uhf.F to 32-bit integers for BLAS/LAPACK [2] 25446 converting mp2_make_tuhf.F to 32-bit integers for BLAS/LAPACK [3] 25447 converting mp2_pijab_uhf.F to 32-bit integers for BLAS/LAPACK [4] 25448 [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] 25449 converting mp2_wijab_uhf.F to 32-bit integers for BLAS/LAPACK [2] 25450 converting mp2_back_transform.F to 32-bit integers for BLAS/LAPACK [3] 25451 converting mp2_read_tiajb.F to 32-bit integers for BLAS/LAPACK [4] 25452 [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] 31177 converting wnbofile.F to 32-bit integers for BLAS/LAPACK [2] 31178 converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK [3] 31179 converting hnd_mtpole.F to 32-bit integers for BLAS/LAPACK [4] 31180 [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] 31181 converting hnd_elpmap.F to 32-bit integers for BLAS/LAPACK [2] 31182 converting hnd_elfmap.F to 32-bit integers for BLAS/LAPACK [3] 31183 converting hnd_mtpcon.F to 32-bit integers for BLAS/LAPACK [4] 31184 [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] 31185 converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK [2] 31186 converting aoresponse_driver.F to 32-bit integers for BLAS/LAPACK [3] 31187 converting raman.F to 32-bit integers for BLAS/LAPACK [4] 31188 [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] 31189 converting hnd_gshift_zora.F to 32-bit integers for BLAS/LAPACK [2] 31190 converting wshldfile.F to 32-bit integers for BLAS/LAPACK [3] 31191 converting int_giao_1ega.F to 32-bit integers for BLAS/LAPACK [4] 31192 [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] 31193 converting wefgfile.F to 32-bit integers for BLAS/LAPACK [2] 31194 converting aoresponse_driver_new.F to 32-bit integers for BLAS/LAPACK [3] 31195 converting hnd_elfcon_symm.F to 32-bit integers for BLAS/LAPACK [4] 31196 [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] 31197 converting hnd_hyperfine_zora.F to 32-bit integers for BLAS/LAPACK [2] 31198 [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] 10386 [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] 13261 converting Dne.F to 32-bit integers for BLAS/LAPACK [2] 13262 converting skew.F to 32-bit integers for BLAS/LAPACK [3] 13263 [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] 16205 converting D3dB_pfft.F to 32-bit integers for BLAS/LAPACK [2] 16206 converting D3dB-mpi.F to 32-bit integers for BLAS/LAPACK [3] 16207 [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] 19083 [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] 21957 [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] 24820 converting C3dB_pfft.F to 32-bit integers for BLAS/LAPACK [2] 24821 converting C3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK [3] 24822 converting C3dB-mpi.F to 32-bit integers for BLAS/LAPACK [4] 24823 [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] 27687 converting DMatrix.F to 32-bit integers for BLAS/LAPACK [2] 27688 converting DMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK [3] 27689 [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] 30551 converting CMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK [2] 30552 converting CMatrix-mpi.F to 32-bit integers for BLAS/LAPACK [3] 30553 [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] 950 [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] 3841 converting pack.F to 32-bit integers for BLAS/LAPACK [2] 3842 converting G_init.F to 32-bit integers for BLAS/LAPACK [3] 3843 converting cram.F to 32-bit integers for BLAS/LAPACK [4] 3844 [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] 3845 [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] 12622 [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] 15569 converting fcoord.f to 32-bit integers for BLAS/LAPACK [2] 15570 converting incell1.f to 32-bit integers for BLAS/LAPACK [3] 15571 converting incell2.f to 32-bit integers for BLAS/LAPACK [4] 15572 [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] 15573 converting unfold.f to 32-bit integers for BLAS/LAPACK [2] 15574 converting seperate_molpsp.F to 32-bit integers for BLAS/LAPACK [3] 15575 converting seperate_pointcharge.F to 32-bit integers for BLAS/LAPACK [4] 15576 [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] 15577 [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] 27051 converting nwpw_compcharge.F to 32-bit integers for BLAS/LAPACK [2] 27052 converting nwpw_xc.F to 32-bit integers for BLAS/LAPACK [3] 27053 [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] 27056 converting matrix.f to 32-bit integers for BLAS/LAPACK [2] 27057 converting nwpw_scf_mixing.F to 32-bit integers for BLAS/LAPACK [3] 27058 converting kerker_G.F to 32-bit integers for BLAS/LAPACK [4] 27059 [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] 27060 converting cellgeometry.F to 32-bit integers for BLAS/LAPACK [2] 27061 converting nwpw_list.F to 32-bit integers for BLAS/LAPACK [3] 27062 converting cpsi_data.F to 32-bit integers for BLAS/LAPACK [4] 27063 [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] 27064 converting nwpw_diis.F to 32-bit integers for BLAS/LAPACK [2] 27065 converting nwpw_kain.F to 32-bit integers for BLAS/LAPACK [3] 27066 converting nwpw_matrix_invert.F to 32-bit integers for BLAS/LAPACK [4] 27067 [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] 27068 [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] 3207 converting frac_occ.F to 32-bit integers for BLAS/LAPACK [2] 3208 [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] 9945 [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] 12816 converting ewald_strfac.F to 32-bit integers for BLAS/LAPACK [2] 12817 [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] 15762 [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] 18639 [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] 21513 [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] 24376 [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] 9292 converting geodesic.F to 32-bit integers for BLAS/LAPACK [2] 9293 converting geodesic2.F to 32-bit integers for BLAS/LAPACK [3] 9294 converting Grassman.F to 32-bit integers for BLAS/LAPACK [4] 9295 [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] 9296 converting psi_history.F to 32-bit integers for BLAS/LAPACK [2] 9297 converting skew.F to 32-bit integers for BLAS/LAPACK [3] 9298 converting geodesic1.F to 32-bit integers for BLAS/LAPACK [4] 9299 [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] 9300 converting psi_dmatrix.F to 32-bit integers for BLAS/LAPACK [2] 9301 [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] 12172 converting psi_H.F to 32-bit integers for BLAS/LAPACK [2] 12173 converting psi_Hv4.F to 32-bit integers for BLAS/LAPACK [3] 12174 [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] 15120 [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] 17983 converting coulomb2.F to 32-bit integers for BLAS/LAPACK [2] 17984 converting coulomb_screened.F to 32-bit integers for BLAS/LAPACK [3] 17985 [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] 20872 converting v_bwexc.F to 32-bit integers for BLAS/LAPACK [2] 20873 converting nwpw_meta_gga.F to 32-bit integers for BLAS/LAPACK [3] 20874 [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] 23738 [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] 26601 converting pspw_hfx_localized.F to 32-bit integers for BLAS/LAPACK [2] 26602 [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] 32326 converting psp_olddebug.F to 32-bit integers for BLAS/LAPACK [2] 32327 converting paw.F to 32-bit integers for BLAS/LAPACK [3] 32328 converting semicore.F to 32-bit integers for BLAS/LAPACK [4] 32329 [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] 32330 converting psp_stress.F to 32-bit integers for BLAS/LAPACK [2] 32331 converting semicore_force_a.F to 32-bit integers for BLAS/LAPACK [3] 32332 converting semicore_force_b.F to 32-bit integers for BLAS/LAPACK [4] 32333 [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] 32334 converting psp_ld.F to 32-bit integers for BLAS/LAPACK [2] 32335 [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] 2743 converting pspw_lmbfgs2.F to 32-bit integers for BLAS/LAPACK [2] 2744 converting pspw_diis.F to 32-bit integers for BLAS/LAPACK [3] 2745 converting pspw_Grsm_list.F to 32-bit integers for BLAS/LAPACK [4] 2746 [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] 2747 [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] 5723 [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] 8675 [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] 11540 converting integrate_kbppv3.f to 32-bit integers for BLAS/LAPACK [2] 11541 converting integrate_kbppv3d.f to 32-bit integers for BLAS/LAPACK [3] 11542 converting integrate_kbpp_orb.F to 32-bit integers for BLAS/LAPACK [4] 11543 [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] 11544 converting integrate_d_stress.F to 32-bit integers for BLAS/LAPACK [2] 11545 converting HGH_local.F to 32-bit integers for BLAS/LAPACK [3] 11546 converting HGH_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 11547 [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] 11548 converting hghppv1.F to 32-bit integers for BLAS/LAPACK [2] 11549 converting pawppv1.F to 32-bit integers for BLAS/LAPACK [3] 11550 converting integrate_kbppv3d_new.f to 32-bit integers for BLAS/LAPACK [4] 11551 [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] 11552 converting integrate_d_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 11553 converting integrate_pawppv1.F to 32-bit integers for BLAS/LAPACK [3] 11554 converting junk.f to 32-bit integers for BLAS/LAPACK [4] 11555 [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] 11556 converting integrate_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 11557 converting integrate_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 11558 converting integrate_paw_ray.F to 32-bit integers for BLAS/LAPACK [4] 11559 [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] 11560 converting integrate_kbppv3e_new.f to 32-bit integers for BLAS/LAPACK [2] 11561 converting integrate_kbppv3e_ray.f to 32-bit integers for BLAS/LAPACK [3] 11562 converting kbppv3e_stress.F to 32-bit integers for BLAS/LAPACK [4] 11563 [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] 11564 converting integrate_e_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 11565 converting integrate_e_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 11566 converting kbppv3d.F to 32-bit integers for BLAS/LAPACK [4] 11567 [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] 14520 converting v_wvfnc_init.F to 32-bit integers for BLAS/LAPACK [2] 14521 converting wvfnc_expander.F to 32-bit integers for BLAS/LAPACK [3] 14522 converting v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [4] 14523 [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] 14524 converting silvestrelli_minimize.F to 32-bit integers for BLAS/LAPACK [2] 14525 converting expand_cell.F to 32-bit integers for BLAS/LAPACK [3] 14526 converting wvfnc_expand_cell.F to 32-bit integers for BLAS/LAPACK [4] 14527 [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] 14528 converting wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK [2] 14529 converting silvestrelli_minimize_old.F to 32-bit integers for BLAS/LAPACK [3] 14530 [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] 17394 converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK [2] 17395 converting psi_lmbda3.f to 32-bit integers for BLAS/LAPACK [3] 17396 converting psi_lmbda_sic.f to 32-bit integers for BLAS/LAPACK [4] 17397 [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] 17398 converting inner_loop.F to 32-bit integers for BLAS/LAPACK [2] 17399 converting inner_loop_md.F to 32-bit integers for BLAS/LAPACK [3] 17400 converting cpsdv5.F to 32-bit integers for BLAS/LAPACK [4] 17401 [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] 17402 converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK [2] 17403 converting mmsdv1.F to 32-bit integers for BLAS/LAPACK [3] 17404 converting inner_loop_qmmm_step.F to 32-bit integers for BLAS/LAPACK [4] 17405 [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] 17406 converting cpmd_qmmm_stop.F to 32-bit integers for BLAS/LAPACK [2] 17407 converting mm_loop.F to 32-bit integers for BLAS/LAPACK [3] 17408 converting pspw_et.F to 32-bit integers for BLAS/LAPACK [4] 17409 [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] 20288 converting cgmdv5.F to 32-bit integers for BLAS/LAPACK [2] 20289 converting cgmontecarlov1.F to 32-bit integers for BLAS/LAPACK [3] 20290 converting cgoptimize1.F to 32-bit integers for BLAS/LAPACK [4] 20294 [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] 20295 converting bybminimize.F to 32-bit integers for BLAS/LAPACK [2] 20296 converting bybminimize2.F to 32-bit integers for BLAS/LAPACK [3] 20297 converting pspw_bq_gradient.F to 32-bit integers for BLAS/LAPACK [4] 20298 [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] 20299 converting mmmdv1.F to 32-bit integers for BLAS/LAPACK [2] 20300 converting bfgsminimize2.F to 32-bit integers for BLAS/LAPACK [3] 20301 converting bfgsminimize3.F to 32-bit integers for BLAS/LAPACK [4] 20302 [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] 20303 converting cgminimize2.F to 32-bit integers for BLAS/LAPACK [2] 20304 converting cgsd_noit_energy.F to 32-bit integers for BLAS/LAPACK [3] 20305 converting bfgsminimize.F to 32-bit integers for BLAS/LAPACK [4] 20306 [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] 26035 converting pspw_Efield.F to 32-bit integers for BLAS/LAPACK [2] 26036 converting pspw_Efield_grad.F to 32-bit integers for BLAS/LAPACK [3] 26037 [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] 26040 converting pspw_atom_analysis.F to 32-bit integers for BLAS/LAPACK [2] 26041 converting analysis.F to 32-bit integers for BLAS/LAPACK [3] 26042 converting orb_pop_kawai.F to 32-bit integers for BLAS/LAPACK [4] 26043 [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] 26044 [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] 29178 converting stress_fd.F to 32-bit integers for BLAS/LAPACK [2] 29179 converting force_fd.F to 32-bit integers for BLAS/LAPACK [3] 29180 [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] 3002 [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] 5974 [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] 8923 [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] 11786 [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] 11789 [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] 14742 [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] 17606 converting ELF.F to 32-bit integers for BLAS/LAPACK [2] 17607 [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] 20495 converting lcao_init_dn.F to 32-bit integers for BLAS/LAPACK [2] 20496 converting lcao_new_dn.F to 32-bit integers for BLAS/LAPACK [3] 20497 converting lcao_new_mix_dn.F to 32-bit integers for BLAS/LAPACK [4] 20498 [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] 20499 converting lcao_diis.F to 32-bit integers for BLAS/LAPACK [2] 20500 converting lcaov1.F to 32-bit integers for BLAS/LAPACK [3] 20501 [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] 31951 [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] 5249 [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] 11144 converting paw_ovlp.F to 32-bit integers for BLAS/LAPACK [2] 11145 [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] 25574 [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] 1698 converting paw_matrix_hartree.F to 32-bit integers for BLAS/LAPACK [2] 1699 [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] 7621 converting paw_mult_interaction.F to 32-bit integers for BLAS/LAPACK [2] 7622 converting paw_mult_energy.F to 32-bit integers for BLAS/LAPACK [3] 7623 [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] 10495 [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] 13369 [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] 16311 [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] 19188 [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] 22063 converting paw_lmbfgs.F to 32-bit integers for BLAS/LAPACK [2] 22064 [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] 24928 converting paw_geodesic.F to 32-bit integers for BLAS/LAPACK [2] 24929 converting paw_electron.F to 32-bit integers for BLAS/LAPACK [3] 24930 converting paw_psi2.F to 32-bit integers for BLAS/LAPACK [4] 24931 [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] 28653 converting paw_inner_loop.F to 32-bit integers for BLAS/LAPACK [2] 28654 converting paw_cpmd.F to 32-bit integers for BLAS/LAPACK [3] 28655 converting paw_inner_loop_md.F to 32-bit integers for BLAS/LAPACK [4] 28656 [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] 31518 converting paw_minimizer.F to 32-bit integers for BLAS/LAPACK [2] 31519 converting paw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [3] 31520 converting paw_cgminimize.F to 32-bit integers for BLAS/LAPACK [4] 31521 [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] 1922 converting paw_update_unitcell.F to 32-bit integers for BLAS/LAPACK [2] 1923 [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] 7846 converting c_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [2] 7847 converting c_cgsd_energy_gradient.F to 32-bit integers for BLAS/LAPACK [3] 7848 converting c_bybminimize.F to 32-bit integers for BLAS/LAPACK [4] 7849 [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] 7850 converting c_cgsd_energy_stress.F to 32-bit integers for BLAS/LAPACK [2] 7851 [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] 10722 converting band_interpolate_structure.F to 32-bit integers for BLAS/LAPACK [2] 10723 converting band_kp_structure.F to 32-bit integers for BLAS/LAPACK [3] 10724 converting band_fft_structure.F to 32-bit integers for BLAS/LAPACK [4] 10725 [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] 14351 converting band_cpmd.F to 32-bit integers for BLAS/LAPACK [2] 14352 converting band_inner_loop.F to 32-bit integers for BLAS/LAPACK [3] 14353 converting band_inner_loop_md.F to 32-bit integers for BLAS/LAPACK [4] 14354 [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] 17873 converting band_update_unitcell.F to 32-bit integers for BLAS/LAPACK [2] 17874 [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] 20762 converting kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK [2] 20763 converting setup_kbpp_band.f to 32-bit integers for BLAS/LAPACK [3] 20764 converting integrate_kbpp_band_local.F to 32-bit integers for BLAS/LAPACK [4] 20765 [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] 20766 converting integrate_kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK [2] 20767 converting kbpp_band_stress.F to 32-bit integers for BLAS/LAPACK [3] 20768 converting integrate_kbpp_band_stress_local.F to 32-bit integers for BLAS/LAPACK [4] 20769 [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] 20770 converting HGH_band_local.F to 32-bit integers for BLAS/LAPACK [2] 20771 converting HGH_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [3] 20772 converting Tesseral_band.F to 32-bit integers for BLAS/LAPACK [4] 20773 [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] 20774 converting hghpp_band.F to 32-bit integers for BLAS/LAPACK [2] 20775 converting integrate_kbpp_band_ray.F to 32-bit integers for BLAS/LAPACK [3] 20776 converting integrate_kbpp_band_stress_ray.F to 32-bit integers for BLAS/LAPACK [4] 20777 [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] 20778 converting integrate_kbpp_band_local_new.F to 32-bit integers for BLAS/LAPACK [2] 20779 converting integrate_kbpp_e_band_local_new.F to 32-bit integers for BLAS/LAPACK [3] 20780 converting integrate_kbpp_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK [4] 20781 [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] 20782 converting integrate_kbpp_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [2] 20783 converting kbpp_e_band.F to 32-bit integers for BLAS/LAPACK [3] 20784 converting integrate_kbpp_e_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 20785 [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] 20786 converting integrate_kbpp_e_band_local.F to 32-bit integers for BLAS/LAPACK [2] 20787 converting integrate_kbpp_e_band_ray.F to 32-bit integers for BLAS/LAPACK [3] 20788 converting kbpp_e_band_stress.F to 32-bit integers for BLAS/LAPACK [4] 20789 [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] 20790 converting integrate_kbpp_e_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK [2] 20791 converting integrate_kbpp_e_band_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 20792 converting integrate_kbpp_e_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 20793 [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] 20794 [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] 23658 converting c_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [2] 23659 converting c_wvfnc_expander.F to 32-bit integers for BLAS/LAPACK [3] 23660 converting c_v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [4] 23661 [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] 29661 converting cpsp_stress.F to 32-bit integers for BLAS/LAPACK [2] 29662 converting c_semicore.F to 32-bit integers for BLAS/LAPACK [3] 29663 converting cpsp_projector.F to 32-bit integers for BLAS/LAPACK [4] 29664 [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] 29665 converting c_semicore_force_b.F to 32-bit integers for BLAS/LAPACK [2] 29666 converting cpsp_relativistic.F to 32-bit integers for BLAS/LAPACK [3] 29667 [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] 32530 [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] 2942 converting c_coulomb_screened.F to 32-bit integers for BLAS/LAPACK [2] 2943 [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] 5914 converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK [2] 5915 converting cpsi_H.F to 32-bit integers for BLAS/LAPACK [3] 5916 [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] 8867 converting c_geodesic.F to 32-bit integers for BLAS/LAPACK [2] 8868 converting cpsi_lmbda.F to 32-bit integers for BLAS/LAPACK [3] 8869 converting BGrsm.F to 32-bit integers for BLAS/LAPACK [4] 8870 [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] 8871 converting cpsi_read.F to 32-bit integers for BLAS/LAPACK [2] 8872 converting cpsi_write.F to 32-bit integers for BLAS/LAPACK [3] 8873 converting v_cpsi_read.F to 32-bit integers for BLAS/LAPACK [4] 8874 [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] 8875 [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] 11738 [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] 14691 converting band_lmbfgs.F to 32-bit integers for BLAS/LAPACK [2] 14692 [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] 17555 converting borb_projector.F to 32-bit integers for BLAS/LAPACK [2] 17556 [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] 20444 [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] 23310 converting orb_pop_borb.F to 32-bit integers for BLAS/LAPACK [2] 23311 [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] 29037 converting ofpw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [2] 29038 converting ofpw_cgminimize.F to 32-bit integers for BLAS/LAPACK [3] 29039 [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] 31901 converting inner_loop_ofpw.F to 32-bit integers for BLAS/LAPACK [2] 31902 converting chi_lmbda.f to 32-bit integers for BLAS/LAPACK [3] 31903 [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] 8225 converting chi_Hv4.F to 32-bit integers for BLAS/LAPACK [2] 8226 [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] 11097 [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] 14018 [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] 26347 converting fillup.F to 32-bit integers for BLAS/LAPACK [2] 26348 [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] 11267 converting nwc_s2.F to 32-bit integers for BLAS/LAPACK [2] 11268 converting nwc_s1.F to 32-bit integers for BLAS/LAPACK [3] 11269 [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] 14190 [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] 17085 converting qmmm_lbfgsb.F to 32-bit integers for BLAS/LAPACK [2] 17086 converting mm_interface.F to 32-bit integers for BLAS/LAPACK [3] 17087 [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] 22837 [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] 31422 [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] 1821 [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] 4709 converting tce_diis3c.F to 32-bit integers for BLAS/LAPACK [2] 4710 [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] 7745 converting ccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [2] 7746 converting ccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK [3] 7747 converting ccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 7748 [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] 7749 converting ccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [2] 7750 converting ccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [3] 7751 converting ccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [4] 7752 [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] 7753 converting ccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [2] 7754 converting ccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [3] 7755 converting ccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [4] 7756 [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] 7757 converting zvec_x_a_a.F to 32-bit integers for BLAS/LAPACK [2] 7758 converting zvec_x_a_b_a.F to 32-bit integers for BLAS/LAPACK [3] 7759 converting zvec_x_a_b_b.F to 32-bit integers for BLAS/LAPACK [4] 7760 [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] 7761 converting zvec_x_a_c_b.F to 32-bit integers for BLAS/LAPACK [2] 7762 converting zvec_x_a_d.F to 32-bit integers for BLAS/LAPACK [3] 7763 converting zvec_x_a_e_a.F to 32-bit integers for BLAS/LAPACK [4] 7764 [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] 7765 converting zvec_x_a_f_a.F to 32-bit integers for BLAS/LAPACK [2] 7766 converting zvec_x_a_f_b.F to 32-bit integers for BLAS/LAPACK [3] 7767 converting zvec_x_b_a_a.F to 32-bit integers for BLAS/LAPACK [4] 7768 [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] 7769 converting zvec_x_b_b_a.F to 32-bit integers for BLAS/LAPACK [2] 7770 converting zvec_x_b_b_b.F to 32-bit integers for BLAS/LAPACK [3] 7771 converting zvec_x_b_c.F to 32-bit integers for BLAS/LAPACK [4] 7772 [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] 7773 converting zvec_x_b_d_b.F to 32-bit integers for BLAS/LAPACK [2] 7774 converting zvec_x_b_e_a.F to 32-bit integers for BLAS/LAPACK [3] 7775 converting zvec_x_b_e_b.F to 32-bit integers for BLAS/LAPACK [4] 7776 [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] 7777 converting zvec_x_c_a.F to 32-bit integers for BLAS/LAPACK [2] 7778 converting zvec_x_c_b.F to 32-bit integers for BLAS/LAPACK [3] 7779 converting ccsd_zvec.F to 32-bit integers for BLAS/LAPACK [4] 7780 [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] 7781 converting wdm_hh_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK [2] 7782 converting wdm_hh_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK [3] 7783 converting wdm_hh_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK [4] 7784 [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] 7785 converting wdm_hh_mo_c_a.F to 32-bit integers for BLAS/LAPACK [2] 7786 converting wdm_hh_mo_c_b_a.F to 32-bit integers for BLAS/LAPACK [3] 7787 converting wdm_hh_mo_c_b_b.F to 32-bit integers for BLAS/LAPACK [4] 7788 [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] 7789 converting wdm_hh_mo_c_c_b.F to 32-bit integers for BLAS/LAPACK [2] 7790 converting wdm_hh_mo_c_d.F to 32-bit integers for BLAS/LAPACK [3] 7791 converting wdm_hh_mo_c_e_a.F to 32-bit integers for BLAS/LAPACK [4] 7792 [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] 7793 converting wdm_hh_mo_c_f_a.F to 32-bit integers for BLAS/LAPACK [2] 7794 converting wdm_hh_mo_c_f_b.F to 32-bit integers for BLAS/LAPACK [3] 7795 converting wdm_hh_mo_d.F to 32-bit integers for BLAS/LAPACK [4] 7796 [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] 7797 converting wdm_hp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK [2] 7798 converting wdm_hp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK [3] 7799 converting wdm_hp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK [4] 7800 [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] 7801 converting wdm_hp_mo_b_c.F to 32-bit integers for BLAS/LAPACK [2] 7802 converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK [3] 7803 converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK [4] 7804 [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] 7805 converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK [2] 7806 converting wdm_hp_mo_b_f.F to 32-bit integers for BLAS/LAPACK [3] 7807 converting wdm_hp_mo_c.F to 32-bit integers for BLAS/LAPACK [4] 7808 [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] 7809 converting wdm_pp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK [2] 7810 converting wdm_pp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK [3] 7811 converting wdm_pp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK [4] 7812 [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] 7813 converting wdm_pp_mo_b_c.F to 32-bit integers for BLAS/LAPACK [2] 7814 converting wdm_pp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK [3] 7815 converting wdm_pp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK [4] 7816 [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] 7817 converting wdm_pp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK [2] 7818 converting wdm_pp_mo_b_f.F to 32-bit integers for BLAS/LAPACK [3] 7819 converting eomccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 7820 [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] 7822 converting tce_eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK [2] 7823 converting eomccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [3] 7824 converting eomccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [4] 7825 [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] 7826 converting eomccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 7827 converting eomccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 7828 converting eomccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [4] 7829 [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] 7830 converting eomccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 7831 converting eomccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 7832 converting eomccsd_z1.F to 32-bit integers for BLAS/LAPACK [4] 7833 [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] 7834 converting eomccsd_2pdm_pphh_zvec_mo.F to 32-bit integers for BLAS/LAPACK [2] 7835 converting eomccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK [3] 7836 converting eomccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 7837 [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] 7838 converting eomccsd_x2_grad.F to 32-bit integers for BLAS/LAPACK [2] 7839 converting tce_eom_xdiagon_grad.F to 32-bit integers for BLAS/LAPACK [3] 7840 converting tce_cisdt_denominator.F to 32-bit integers for BLAS/LAPACK [4] 7841 [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] 7842 converting cisdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 7843 converting cisdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 7844 converting cisdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [4] 7845 [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] 7846 converting mp4_1pdm_pp_mo_III_b.F to 32-bit integers for BLAS/LAPACK [2] 7847 converting tce_cis_denominator.F to 32-bit integers for BLAS/LAPACK [3] 7848 converting cisd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 7849 [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] 7850 converting ccsdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [2] 7851 converting mp3_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [3] 7852 converting ccsdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [4] 7853 [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] 7854 converting tce_mp4_t24.F to 32-bit integers for BLAS/LAPACK [2] 7855 converting cis_x1.F to 32-bit integers for BLAS/LAPACK [3] 7856 converting cisd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [4] 7857 [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] 7858 converting cisd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 7859 converting cisdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [3] 7860 converting cisd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [4] 7861 [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] 7862 converting cis_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [2] 7863 converting cisd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 7864 converting ccsdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [4] 7865 [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] 7866 converting mp4_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 7867 converting mp2_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [3] 7868 converting mp4_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [4] 7869 [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] 7870 converting ccsdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [2] 7871 converting cis_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 7872 converting tce_cisd_denominator.F to 32-bit integers for BLAS/LAPACK [4] 7873 [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] 7874 converting cisdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [2] 7875 converting mp4_1pdm_hh_mo_III_a.F to 32-bit integers for BLAS/LAPACK [3] 7876 converting ccsdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [4] 7877 [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] 8135 converting btrans1.F to 32-bit integers for BLAS/LAPACK [2] 8136 converting cisdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 8137 converting cisdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [4] 8138 [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] 8163 converting cisdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 8164 converting cisdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [3] 8165 converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK [4] 8166 [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] 8313 converting cisdtq_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [2] 8314 converting mp4_1pdm_hh_mo_III_b.F to 32-bit integers for BLAS/LAPACK [3] 8315 converting btrans2.F to 32-bit integers for BLAS/LAPACK [4] 8316 [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] 8574 converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK [2] 8575 converting ccsdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 8576 converting cisd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [4] 8577 [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] 8722 converting ccsdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 8723 converting mp3_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [3] 8724 converting ccsdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [4] 8725 [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] 8726 converting cisd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 8727 converting cisd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [3] 8728 converting cis_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 8729 [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] 8730 converting cisd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [2] 8731 converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK [3] 8732 converting ccsdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 8733 [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] 8734 converting cisdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [2] 8735 converting cisdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [3] 8736 converting ccsdt_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 8737 [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] 8738 converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK [2] 8739 converting mp4_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 8740 converting ccsdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [4] 8741 [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] 8742 converting mp2_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [2] 8743 converting mp3_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [3] 8744 converting ccsdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 8745 [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] 8746 converting ccsdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 8747 converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK [3] 8748 converting ccsdtq_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 8749 [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] 8750 converting ccsdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 8751 converting cisdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [3] 8752 converting cisdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [4] 8753 [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] 8754 converting ccsdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [2] 8755 converting cisdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [3] 8756 converting cisdt_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [4] 8757 [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] 8758 converting mp3_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [2] 8759 [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] 11622 converting ccsd_t1.F to 32-bit integers for BLAS/LAPACK [2] 11623 converting ccsd_t2.F to 32-bit integers for BLAS/LAPACK [3] 11624 converting cc2_t1.F to 32-bit integers for BLAS/LAPACK [4] 11625 [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] 11626 converting ccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK [2] 11627 converting ccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK [3] 11628 converting ccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK [4] 11629 [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] 11630 converting ccsd_1prdm.F to 32-bit integers for BLAS/LAPACK [2] 11631 converting icsd_t1.F to 32-bit integers for BLAS/LAPACK [3] 11632 converting icsd_t2.F to 32-bit integers for BLAS/LAPACK [4] 11633 [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] 11634 [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] 14586 converting ccsd_lambda1_1.F to 32-bit integers for BLAS/LAPACK [2] 14587 converting ccsd_lambda1_2.F to 32-bit integers for BLAS/LAPACK [3] 14588 converting ccsd_lambda2.F to 32-bit integers for BLAS/LAPACK [4] 14589 [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] 14590 [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] 17454 converting eomccsd_x2.F to 32-bit integers for BLAS/LAPACK [2] 17455 converting eomccsd_y1.F to 32-bit integers for BLAS/LAPACK [3] 17456 converting eomccsd_y2.F to 32-bit integers for BLAS/LAPACK [4] 17457 [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] 17458 converting eomccsd_density1.F to 32-bit integers for BLAS/LAPACK [2] 17459 converting cc2_x1.F to 32-bit integers for BLAS/LAPACK [3] 17460 converting cc2_x2.F to 32-bit integers for BLAS/LAPACK [4] 17461 [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] 17463 converting eomccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK [2] 17464 converting eomccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK [3] 17465 converting eomccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK [4] 17466 [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] 17467 converting eomccsd_x1_old.F to 32-bit integers for BLAS/LAPACK [2] 17468 converting eomccsd_x2_old.F to 32-bit integers for BLAS/LAPACK [3] 17469 converting eomicsd_x1.F to 32-bit integers for BLAS/LAPACK [4] 17470 [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] 17471 [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] 20354 converting ccsd_t_singles.F to 32-bit integers for BLAS/LAPACK [2] 20355 converting ccsd_t_doubles_l.F to 32-bit integers for BLAS/LAPACK [3] 20356 converting ccsd_t_singles_l.F to 32-bit integers for BLAS/LAPACK [4] 20357 [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] 20358 converting ccsd2_q_left.F to 32-bit integers for BLAS/LAPACK [2] 20359 converting ccsd2_q_right.F to 32-bit integers for BLAS/LAPACK [3] 20360 converting ccsd2_t_left.F to 32-bit integers for BLAS/LAPACK [4] 20361 [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] 20362 converting ccsdt2_q_right.F to 32-bit integers for BLAS/LAPACK [2] 20363 converting cr_ccsd_t_D.F to 32-bit integers for BLAS/LAPACK [3] 20364 converting cr_ccsd_t_E.F to 32-bit integers for BLAS/LAPACK [4] 20365 [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] 20366 converting lr_ccsd_tq.F to 32-bit integers for BLAS/LAPACK [2] 20367 converting cr_qcisd_t.F to 32-bit integers for BLAS/LAPACK [3] 20368 converting m2_dot_m1t1.F to 32-bit integers for BLAS/LAPACK [4] 20369 [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] 20370 converting ccsd_t_doubles_l_6dts.F to 32-bit integers for BLAS/LAPACK [2] 20371 converting ccsd_t.F to 32-bit integers for BLAS/LAPACK [3] 20372 [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] 23241 converting c2_c2.F to 32-bit integers for BLAS/LAPACK [2] 23242 converting c2excit2.F to 32-bit integers for BLAS/LAPACK [3] 23243 converting cr_eomccsd_t_n2_1_1_2_2.F to 32-bit integers for BLAS/LAPACK [4] 23244 [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] 23245 converting cr_eomccsd_t_n2_1_1_3.F to 32-bit integers for BLAS/LAPACK [2] 23246 converting cr_eomccsd_t_n2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 23247 converting cr_eomccsd_t_n2_1_2.F to 32-bit integers for BLAS/LAPACK [4] 23248 [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] 23249 converting cr_eomccsd_t_n2_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 23250 converting cr_eomccsd_t_n2_1_3_2.F to 32-bit integers for BLAS/LAPACK [3] 23251 converting cr_eomccsd_t_n2_1_3_3.F to 32-bit integers for BLAS/LAPACK [4] 23252 [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] 23253 converting cr_eomccsd_t_n2_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 23254 converting cr_eomccsd_t_n2_1_4.F to 32-bit integers for BLAS/LAPACK [3] 23255 converting cr_eomccsd_t_n2_1_5_1.F to 32-bit integers for BLAS/LAPACK [4] 23256 [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] 23257 converting cr_eomccsd_t_n2_1_6_1.F to 32-bit integers for BLAS/LAPACK [2] 23258 converting cr_eomccsd_t_n2_1_6.F to 32-bit integers for BLAS/LAPACK [3] 23259 converting cr_eomccsd_t_n2_1_7_2.F to 32-bit integers for BLAS/LAPACK [4] 23260 [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] 23261 converting cr_eomccsd_t_n2_1_8_2.F to 32-bit integers for BLAS/LAPACK [2] 23262 converting cr_eomccsd_t_n2_1_8.F to 32-bit integers for BLAS/LAPACK [3] 23263 converting cr_eomccsd_t_n2_1_9.F to 32-bit integers for BLAS/LAPACK [4] 23264 [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] 23265 converting cr_eomccsd_t_n2_2_1_2.F to 32-bit integers for BLAS/LAPACK [2] 23266 converting cr_eomccsd_t_n2_2_1_3.F to 32-bit integers for BLAS/LAPACK [3] 23267 converting cr_eomccsd_t_n2_2_1_4.F to 32-bit integers for BLAS/LAPACK [4] 23268 [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] 23269 converting cr_eomccsd_t_n2_2.F to 32-bit integers for BLAS/LAPACK [2] 23270 converting cr_eomccsd_t_n2_3_1.F to 32-bit integers for BLAS/LAPACK [3] 23271 converting cr_eomccsd_t_n2_3_2_1.F to 32-bit integers for BLAS/LAPACK [4] 23272 [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] 23273 converting cr_eomccsd_t_n2_3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 23274 converting cr_eomccsd_t_n2_3_3.F to 32-bit integers for BLAS/LAPACK [3] 23275 converting cr_eomccsd_t_n2_3_4.F to 32-bit integers for BLAS/LAPACK [4] 23276 [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] 23277 converting cr_eomccsd_t_n2_4_1_1.F to 32-bit integers for BLAS/LAPACK [2] 23278 converting cr_eomccsd_t_n2_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [3] 23279 converting cr_eomccsd_t_n2_4_1_2.F to 32-bit integers for BLAS/LAPACK [4] 23280 [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] 23281 converting cr_eomccsd_t_n2_4_1_3.F to 32-bit integers for BLAS/LAPACK [2] 23282 converting cr_eomccsd_t_n2_4_1_4.F to 32-bit integers for BLAS/LAPACK [3] 23283 converting cr_eomccsd_t_n2_4_1.F to 32-bit integers for BLAS/LAPACK [4] 23284 [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] 23285 converting cr_eomccsd_t_n2_4_2_2.F to 32-bit integers for BLAS/LAPACK [2] 23286 converting cr_eomccsd_t_n2_4_2_3.F to 32-bit integers for BLAS/LAPACK [3] 23287 converting cr_eomccsd_t_n2_4_2_4.F to 32-bit integers for BLAS/LAPACK [4] 23288 [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] 23289 converting cr_eomccsd_t_n2_4.F to 32-bit integers for BLAS/LAPACK [2] 23290 converting cr_eomccsd_t_n2_5_2_2_2.F to 32-bit integers for BLAS/LAPACK [3] 23291 converting cr_eomccsd_t_n2_5_2_2.F to 32-bit integers for BLAS/LAPACK [4] 23292 [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] 23293 converting cr_eomccsd_t_n2_5_2.F to 32-bit integers for BLAS/LAPACK [2] 23294 converting cr_eomccsd_t_n2_5_3_2.F to 32-bit integers for BLAS/LAPACK [3] 23295 converting cr_eomccsd_t_n2_5_3.F to 32-bit integers for BLAS/LAPACK [4] 23296 [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] 23297 converting cr_eomccsd_t_n2_5_4.F to 32-bit integers for BLAS/LAPACK [2] 23298 converting cr_eomccsd_t_n2_5_5_2.F to 32-bit integers for BLAS/LAPACK [3] 23299 converting cr_eomccsd_t_n2_5_5.F to 32-bit integers for BLAS/LAPACK [4] 23300 [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] 23301 converting cr_eomccsd_t_n2_5.F to 32-bit integers for BLAS/LAPACK [2] 23302 converting cr_eomccsd_t_n2_6_2.F to 32-bit integers for BLAS/LAPACK [3] 23303 converting cr_eomccsd_t_n2_6_3_2.F to 32-bit integers for BLAS/LAPACK [4] 23304 [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] 23305 converting cr_eomccsd_t_n2_6_4.F to 32-bit integers for BLAS/LAPACK [2] 23306 converting cr_eomccsd_t_n2_6.F to 32-bit integers for BLAS/LAPACK [3] 23307 converting cr_s_m3.F to 32-bit integers for BLAS/LAPACK [4] 23308 [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] 23309 converting q3rexpt2.F to 32-bit integers for BLAS/LAPACK [2] 23310 converting t2t12.F to 32-bit integers for BLAS/LAPACK [3] 23311 converting creomccsd_t_n2_mem.F to 32-bit integers for BLAS/LAPACK [4] 23312 [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] 23313 converting q3rexpt2_6dts.F to 32-bit integers for BLAS/LAPACK [2] 23314 converting creomccsd_t_n2_mem_6dts.F to 32-bit integers for BLAS/LAPACK [3] 23315 converting cr_eomccsd_t_6dts.F to 32-bit integers for BLAS/LAPACK [4] 23316 [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] 23317 converting cr_ccsd_t_E_6dts.F to 32-bit integers for BLAS/LAPACK [2] 23318 converting cr_eomccsd_t_6dts_d4d5_parallel.F to 32-bit integers for BLAS/LAPACK [3] 23319 [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] 29045 converting c1v.F to 32-bit integers for BLAS/LAPACK [2] 29046 [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] 32185 converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK [2] 32186 converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK [3] 32187 converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK [4] 32188 [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] 32245 converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK [2] 32246 converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK [3] 32247 converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK [4] 32248 [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] 32283 converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK [2] 32284 converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK [3] 32285 [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] 2729 converting ccsd_y_o2.F to 32-bit integers for BLAS/LAPACK [2] 2730 converting ccsd_yr1.F to 32-bit integers for BLAS/LAPACK [3] 2731 converting ccsd_yr2.F to 32-bit integers for BLAS/LAPACK [4] 2732 [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] 2733 converting ccsd_y_tr2.F to 32-bit integers for BLAS/LAPACK [2] 2734 converting alpha_2_yr.F to 32-bit integers for BLAS/LAPACK [3] 2735 converting ccsd_lr_d1_hh.F to 32-bit integers for BLAS/LAPACK [4] 2736 [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] 2737 converting ccsd_lr_d1_hp.F to 32-bit integers for BLAS/LAPACK [2] 2738 converting ccsd_lr_d1_pp.F to 32-bit integers for BLAS/LAPACK [3] 2739 [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] 6498 converting alpha_1_1_2.F to 32-bit integers for BLAS/LAPACK [2] 6499 converting alpha_1_1_3_1.F to 32-bit integers for BLAS/LAPACK [3] 6500 converting alpha_1_1_3_2.F to 32-bit integers for BLAS/LAPACK [4] 6501 [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] 6504 converting alpha_1_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 6505 converting alpha_1_1_4_2.F to 32-bit integers for BLAS/LAPACK [3] 6506 converting alpha_1_1_4.F to 32-bit integers for BLAS/LAPACK [4] 6507 [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] 6575 converting alpha_1_1_5.F to 32-bit integers for BLAS/LAPACK [2] 6576 converting alpha_1_1_6_1.F to 32-bit integers for BLAS/LAPACK [3] 6577 converting alpha_1_1_6.F to 32-bit integers for BLAS/LAPACK [4] 6578 [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] 6599 converting alpha_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 6600 converting alpha_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 6601 converting alpha_1_2.F to 32-bit integers for BLAS/LAPACK [4] 6602 [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] 6611 converting alpha_1_3.F to 32-bit integers for BLAS/LAPACK [2] 6612 converting alpha_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 6613 converting alpha_1_4.F to 32-bit integers for BLAS/LAPACK [4] 6614 [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] 6620 converting alpha_2_1_1.F to 32-bit integers for BLAS/LAPACK [2] 6621 converting alpha_2_1.F to 32-bit integers for BLAS/LAPACK [3] 6622 converting alpha_2_2_1_1.F to 32-bit integers for BLAS/LAPACK [4] 6623 [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] 6624 converting alpha_2_2_1.F to 32-bit integers for BLAS/LAPACK [2] 6625 converting alpha_2_2_2_1.F to 32-bit integers for BLAS/LAPACK [3] 6626 converting alpha_2_2_2_2.F to 32-bit integers for BLAS/LAPACK [4] 6627 [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] 6628 converting alpha_2_2_3_1.F to 32-bit integers for BLAS/LAPACK [2] 6629 converting alpha_2_2_3.F to 32-bit integers for BLAS/LAPACK [3] 6630 converting alpha_2_2_4_1.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 alpha_2_2_4.F to 32-bit integers for BLAS/LAPACK [1] 6632 converting alpha_2_2.F to 32-bit integers for BLAS/LAPACK [2] 6633 converting alpha_2_3_1_1.F to 32-bit integers for BLAS/LAPACK [3] 6634 converting alpha_2_3_1_2.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 alpha_2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 6636 converting alpha_2_3_1_3.F to 32-bit integers for BLAS/LAPACK [2] 6637 converting alpha_2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 6638 converting alpha_2_3_1_4.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 alpha_2_3_1.F to 32-bit integers for BLAS/LAPACK [1] 6640 converting alpha_2_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 6641 converting alpha_2_3_2_2.F to 32-bit integers for BLAS/LAPACK [3] 6642 converting alpha_2_3_2_3_1.F to 32-bit integers for BLAS/LAPACK [4] 6643 [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] 6644 converting alpha_2_3_2_4_1.F to 32-bit integers for BLAS/LAPACK [2] 6645 converting alpha_2_3_2_4.F to 32-bit integers for BLAS/LAPACK [3] 6646 converting alpha_2_3_2.F to 32-bit integers for BLAS/LAPACK [4] 6647 [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] 6648 converting alpha_2_3_3.F to 32-bit integers for BLAS/LAPACK [2] 6649 converting alpha_2_3_4_1.F to 32-bit integers for BLAS/LAPACK [3] 6650 converting alpha_2_3_4.F to 32-bit integers for BLAS/LAPACK [4] 6651 [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] 6652 converting alpha_2_3_5.F to 32-bit integers for BLAS/LAPACK [2] 6653 converting alpha_2_3_6_1.F to 32-bit integers for BLAS/LAPACK [3] 6654 converting alpha_2_3_6.F to 32-bit integers for BLAS/LAPACK [4] 6655 [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] 6656 converting alpha_2_3_7.F to 32-bit integers for BLAS/LAPACK [2] 6657 converting alpha_2_3_8_1.F to 32-bit integers for BLAS/LAPACK [3] 6658 converting alpha_2_3_8.F to 32-bit integers for BLAS/LAPACK [4] 6659 [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] 6660 converting alpha_2_3_9_1.F to 32-bit integers for BLAS/LAPACK [2] 6661 converting alpha_2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK [3] 6662 converting alpha_2_3_9_2.F to 32-bit integers for BLAS/LAPACK [4] 6663 [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] 6664 converting alpha_2_3.F to 32-bit integers for BLAS/LAPACK [2] 6665 converting alpha_2_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 6666 converting alpha_2_4_1.F to 32-bit integers for BLAS/LAPACK [4] 6667 [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] 6668 converting alpha_2_5_10_1_1.F to 32-bit integers for BLAS/LAPACK [2] 6669 converting alpha_2_5_10_1.F to 32-bit integers for BLAS/LAPACK [3] 6670 converting alpha_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK [4] 6671 [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] 6672 converting alpha_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK [2] 6673 converting alpha_2_5_10_3.F to 32-bit integers for BLAS/LAPACK [3] 6674 converting alpha_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK [4] 6675 [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] 6676 converting alpha_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK [2] 6677 converting alpha_2_5_10_5.F to 32-bit integers for BLAS/LAPACK [3] 6678 converting alpha_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK [4] 6679 [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] 6680 converting alpha_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK [2] 6681 converting alpha_2_5_10_7.F to 32-bit integers for BLAS/LAPACK [3] 6682 converting alpha_2_5_10_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 6683 [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] 6684 converting alpha_2_5_10_8.F to 32-bit integers for BLAS/LAPACK [2] 6685 converting alpha_2_5_10.F to 32-bit integers for BLAS/LAPACK [3] 6686 converting alpha_2_5_11_1_1.F to 32-bit integers for BLAS/LAPACK [4] 6687 [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] 6688 converting alpha_2_5_1_1.F to 32-bit integers for BLAS/LAPACK [2] 6689 converting alpha_2_5_11.F to 32-bit integers for BLAS/LAPACK [3] 6690 converting alpha_2_5_12_1_1.F to 32-bit integers for BLAS/LAPACK [4] 6691 [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] 6692 converting alpha_2_5_1_2.F to 32-bit integers for BLAS/LAPACK [2] 6693 converting alpha_2_5_12.F to 32-bit integers for BLAS/LAPACK [3] 6694 converting alpha_2_5_13_1_1.F to 32-bit integers for BLAS/LAPACK [4] 6695 [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] 6696 converting alpha_2_5_13_1.F to 32-bit integers for BLAS/LAPACK [2] 6697 converting alpha_2_5_13_2_1.F to 32-bit integers for BLAS/LAPACK [3] 6698 converting alpha_2_5_13_2.F to 32-bit integers for BLAS/LAPACK [4] 6699 [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] 6700 converting alpha_2_5_13.F to 32-bit integers for BLAS/LAPACK [2] 6701 converting alpha_2_5_14_1_1.F to 32-bit integers for BLAS/LAPACK [3] 6702 converting alpha_2_5_14_1.F to 32-bit integers for BLAS/LAPACK [4] 6703 [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] 6704 converting alpha_2_5_14_2.F to 32-bit integers for BLAS/LAPACK [2] 6705 converting alpha_2_5_14.F to 32-bit integers for BLAS/LAPACK [3] 6706 converting alpha_2_5_1.F to 32-bit integers for BLAS/LAPACK [4] 6707 [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] 6708 converting alpha_2_5_2.F to 32-bit integers for BLAS/LAPACK [2] 6709 converting alpha_2_5_3_1.F to 32-bit integers for BLAS/LAPACK [3] 6710 converting alpha_2_5_3_2.F to 32-bit integers for BLAS/LAPACK [4] 6711 [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] 6712 converting alpha_2_5_4_1.F to 32-bit integers for BLAS/LAPACK [2] 6713 converting alpha_2_5_4_2_1.F to 32-bit integers for BLAS/LAPACK [3] 6714 converting alpha_2_5_4_2.F to 32-bit integers for BLAS/LAPACK [4] 6715 [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] 6716 converting alpha_2_5_5_1.F to 32-bit integers for BLAS/LAPACK [2] 6717 converting alpha_2_5_5_2.F to 32-bit integers for BLAS/LAPACK [3] 6718 converting alpha_2_5_5.F to 32-bit integers for BLAS/LAPACK [4] 6719 [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] 6720 converting alpha_2_5_6.F to 32-bit integers for BLAS/LAPACK [2] 6721 converting alpha_2_5_7_1.F to 32-bit integers for BLAS/LAPACK [3] 6722 converting alpha_2_5_7.F to 32-bit integers for BLAS/LAPACK [4] 6723 [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] 6724 converting alpha_2_5_8.F to 32-bit integers for BLAS/LAPACK [2] 6725 converting alpha_2_5_9_1.F to 32-bit integers for BLAS/LAPACK [3] 6726 converting alpha_2_5_9.F to 32-bit integers for BLAS/LAPACK [4] 6727 [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] 6728 converting alpha_2_6_1_1.F to 32-bit integers for BLAS/LAPACK [2] 6729 converting alpha_2_6_1.F to 32-bit integers for BLAS/LAPACK [3] 6730 converting alpha_2_6.F to 32-bit integers for BLAS/LAPACK [4] 6731 [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] 6732 converting alpha_2_7_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 6733 converting alpha_2_7_1_2.F to 32-bit integers for BLAS/LAPACK [3] 6734 converting alpha_2_7_1.F to 32-bit integers for BLAS/LAPACK [4] 6735 [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] 6736 converting alpha_2_7_2.F to 32-bit integers for BLAS/LAPACK [2] 6737 converting alpha_2_7_3_1.F to 32-bit integers for BLAS/LAPACK [3] 6738 converting alpha_2_7_3.F to 32-bit integers for BLAS/LAPACK [4] 6739 [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] 6740 converting alpha_2_7_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 6741 converting alpha_2_7_4_2.F to 32-bit integers for BLAS/LAPACK [3] 6742 converting alpha_2_7_4.F to 32-bit integers for BLAS/LAPACK [4] 6743 [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] 6744 converting alpha_2_7_5.F to 32-bit integers for BLAS/LAPACK [2] 6745 converting alpha_2_7_6_1.F to 32-bit integers for BLAS/LAPACK [3] 6746 converting alpha_2_7_6.F to 32-bit integers for BLAS/LAPACK [4] 6747 [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] 6748 converting alpha_2_7_7_1.F to 32-bit integers for BLAS/LAPACK [2] 6749 converting alpha_2_7_7.F to 32-bit integers for BLAS/LAPACK [3] 6750 converting alpha_2_7.F to 32-bit integers for BLAS/LAPACK [4] 6751 [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] 6752 converting alpha_2_8_1.F to 32-bit integers for BLAS/LAPACK [2] 6753 converting alpha_2_8_2_1.F to 32-bit integers for BLAS/LAPACK [3] 6754 converting alpha_2_8_2.F to 32-bit integers for BLAS/LAPACK [4] 6755 [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] 6756 converting alpha_2_8_3.F to 32-bit integers for BLAS/LAPACK [2] 6757 converting alpha_2_8_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 6758 converting alpha_2_8_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 6759 [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] 6760 converting alpha_2_8_4_1.F to 32-bit integers for BLAS/LAPACK [2] 6761 converting alpha_2_8_4_2_1.F to 32-bit integers for BLAS/LAPACK [3] 6762 converting alpha_2_8_4_2.F to 32-bit integers for BLAS/LAPACK [4] 6763 [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] 6764 converting alpha_2_8_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 6765 converting alpha_2_8_4_3_2.F to 32-bit integers for BLAS/LAPACK [3] 6766 converting alpha_2_8_4_3.F to 32-bit integers for BLAS/LAPACK [4] 6767 [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] 6768 converting alpha_2_8_4_4.F to 32-bit integers for BLAS/LAPACK [2] 6769 converting alpha_2_8_4_5_1_1.F to 32-bit integers for BLAS/LAPACK [3] 6770 converting alpha_2_8_4_5_1.F to 32-bit integers for BLAS/LAPACK [4] 6771 [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] 6772 converting alpha_2_8_4.F to 32-bit integers for BLAS/LAPACK [2] 6773 converting alpha_2_8_5_1_1.F to 32-bit integers for BLAS/LAPACK [3] 6774 converting alpha_2_8_5_1.F to 32-bit integers for BLAS/LAPACK [4] 6775 [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] 6776 converting alpha_2_8_5_2.F to 32-bit integers for BLAS/LAPACK [2] 6777 converting alpha_2_8_5.F to 32-bit integers for BLAS/LAPACK [3] 6778 converting alpha_2_8_6_1_1.F to 32-bit integers for BLAS/LAPACK [4] 6779 [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] 6780 converting alpha_2_8_6_2_1.F to 32-bit integers for BLAS/LAPACK [2] 6781 converting alpha_2_8_6_2.F to 32-bit integers for BLAS/LAPACK [3] 6782 converting alpha_2_8_6_3_1.F to 32-bit integers for BLAS/LAPACK [4] 6783 [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] 6784 converting alpha_2_8_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 6785 converting alpha_2_8_6_4.F to 32-bit integers for BLAS/LAPACK [3] 6786 converting alpha_2_8_6.F to 32-bit integers for BLAS/LAPACK [4] 6787 [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] 6788 converting alpha_2_8_7_1.F to 32-bit integers for BLAS/LAPACK [2] 6789 converting alpha_2_8_7.F to 32-bit integers for BLAS/LAPACK [3] 6790 converting alpha_2_8_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 6791 [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] 6793 converting alpha_2_8_8.F to 32-bit integers for BLAS/LAPACK [2] 6794 converting alpha_2_8.F to 32-bit integers for BLAS/LAPACK [3] 6795 converting alpha_2.F to 32-bit integers for BLAS/LAPACK [4] 6796 [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] 6797 converting dip_r_1_2.F to 32-bit integers for BLAS/LAPACK [2] 6798 converting dip_r_1.F to 32-bit integers for BLAS/LAPACK [3] 6799 converting dip_r_2.F to 32-bit integers for BLAS/LAPACK [4] 6800 [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] 6801 [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] 9720 converting beta_2_all.F to 32-bit integers for BLAS/LAPACK [2] 9721 converting beta_3_all.F to 32-bit integers for BLAS/LAPACK [3] 9722 converting beta_4_all.F to 32-bit integers for BLAS/LAPACK [4] 9723 [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] 9724 converting beta_1_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9725 converting beta_1_3_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 9726 converting beta_3_7_5_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9727 [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] 9728 converting beta_3_2_1_2.F to 32-bit integers for BLAS/LAPACK [2] 9729 converting beta_1_4_2_2.F to 32-bit integers for BLAS/LAPACK [3] 9730 converting beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK [4] 9731 [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] 9732 converting beta_1_3_1_7.F to 32-bit integers for BLAS/LAPACK [2] 9733 converting beta_3_7_2_1.F to 32-bit integers for BLAS/LAPACK [3] 9734 converting beta_3_2_9_2.F to 32-bit integers for BLAS/LAPACK [4] 9735 [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] 9736 converting beta_4_1_2.F to 32-bit integers for BLAS/LAPACK [2] 9737 converting beta_3_2_3.F to 32-bit integers for BLAS/LAPACK [3] 9738 converting beta_3_4_11_1.F to 32-bit integers for BLAS/LAPACK [4] 9739 [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] 9740 converting beta_1_4_5.F to 32-bit integers for BLAS/LAPACK [2] 9741 converting beta_1_3_7.F to 32-bit integers for BLAS/LAPACK [3] 9742 converting beta_1_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 9743 [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] 9744 converting beta_3_5.F to 32-bit integers for BLAS/LAPACK [2] 9745 converting beta_1_4_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9746 converting beta_1_4_6_3_1.F to 32-bit integers for BLAS/LAPACK [4] 9747 [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] 9748 converting beta_3_2_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9749 converting beta_1_4_3_1.F to 32-bit integers for BLAS/LAPACK [3] 9750 converting beta_3_2_1_3.F to 32-bit integers for BLAS/LAPACK [4] 9751 [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] 9752 converting beta_1_4_1_5.F to 32-bit integers for BLAS/LAPACK [2] 9753 converting beta_1_3_1_8.F to 32-bit integers for BLAS/LAPACK [3] 9754 converting beta_3_6_4_1.F to 32-bit integers for BLAS/LAPACK [4] 9755 [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] 9756 converting beta_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9757 converting beta_3_2_4.F to 32-bit integers for BLAS/LAPACK [3] 9758 converting beta_1_4_6.F to 32-bit integers for BLAS/LAPACK [4] 9759 [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] 9760 converting beta_1_3_8.F to 32-bit integers for BLAS/LAPACK [2] 9761 converting beta_4_4.F to 32-bit integers for BLAS/LAPACK [3] 9762 converting beta_3_6.F to 32-bit integers for BLAS/LAPACK [4] 9763 [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] 9764 converting beta_1_1_1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9765 converting beta_1_4_1_3_1.F to 32-bit integers for BLAS/LAPACK [3] 9766 converting beta_1_3_1_5_1.F to 32-bit integers for BLAS/LAPACK [4] 9767 [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] 9768 converting beta_3_6_7_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9769 converting beta_3_7_5_2_1.F to 32-bit integers for BLAS/LAPACK [3] 9770 converting beta_3_7_4_3_2.F to 32-bit integers for BLAS/LAPACK [4] 9771 [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] 9772 converting beta_3_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 9773 converting beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 9774 converting beta_3_2_1_4.F to 32-bit integers for BLAS/LAPACK [4] 9775 [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] 9776 converting beta_1_4_3_2.F to 32-bit integers for BLAS/LAPACK [2] 9777 converting beta_3_7_3_1.F to 32-bit integers for BLAS/LAPACK [3] 9778 converting beta_3_6_4_2.F to 32-bit integers for BLAS/LAPACK [4] 9779 [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] 9780 converting beta_3_4_12_1.F to 32-bit integers for BLAS/LAPACK [2] 9781 converting beta_3_2_5.F to 32-bit integers for BLAS/LAPACK [3] 9782 converting beta_3_4_10_5.F to 32-bit integers for BLAS/LAPACK [4] 9783 [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] 9784 converting beta_3_7.F to 32-bit integers for BLAS/LAPACK [2] 9785 converting beta_1_3_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9786 converting beta_1_4_2_2_1.F to 32-bit integers for BLAS/LAPACK [4] 9787 [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] 9788 converting beta_3_4_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9789 converting beta_3_7_6_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9790 converting beta_3_7_4_4_1.F to 32-bit integers for BLAS/LAPACK [4] 9791 [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] 9792 converting beta_3_4_10_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9793 converting beta_3_2_2_3.F to 32-bit integers for BLAS/LAPACK [3] 9794 converting beta_1_4_4_1.F to 32-bit integers for BLAS/LAPACK [4] 9795 [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] 9796 converting beta_3_6_5_1.F to 32-bit integers for BLAS/LAPACK [2] 9797 converting beta_3_4_8_1.F to 32-bit integers for BLAS/LAPACK [3] 9798 converting beta_4_3_1.F to 32-bit integers for BLAS/LAPACK [4] 9799 [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] 9800 converting beta_3_2_6.F to 32-bit integers for BLAS/LAPACK [2] 9801 converting beta_3_4_10_6.F to 32-bit integers for BLAS/LAPACK [3] 9802 converting beta_1_1_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 9803 [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] 9804 converting beta_3_2_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 9805 converting beta_1_4_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 9806 converting beta_1_3_1_6_1.F to 32-bit integers for BLAS/LAPACK [4] 9807 [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] 9808 converting beta_3_4_11_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9809 converting beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK [3] 9810 converting beta_3_2_2_4.F to 32-bit integers for BLAS/LAPACK [4] 9811 [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] 9812 converting beta_3_7_4_1.F to 32-bit integers for BLAS/LAPACK [2] 9813 converting beta_4_3_2.F to 32-bit integers for BLAS/LAPACK [3] 9814 converting beta_3_5_1.F to 32-bit integers for BLAS/LAPACK [4] 9815 [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] 9816 converting beta_3_4_13_1.F to 32-bit integers for BLAS/LAPACK [2] 9817 converting beta_3_2_7.F to 32-bit integers for BLAS/LAPACK [3] 9818 converting beta_3_4_10_7.F to 32-bit integers for BLAS/LAPACK [4] 9819 [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] 9820 converting beta_3_7_6_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9821 converting beta_3_7_4_5_1.F to 32-bit integers for BLAS/LAPACK [3] 9822 converting beta_1_1_1_2.F to 32-bit integers for BLAS/LAPACK [4] 9823 [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] 9824 converting beta_3_2_4_1.F to 32-bit integers for BLAS/LAPACK [2] 9825 converting beta_1_4_5_1.F to 32-bit integers for BLAS/LAPACK [3] 9826 converting beta_3_4_10_3_1.F to 32-bit integers for BLAS/LAPACK [4] 9827 [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] 9828 converting beta_3_7_4_2.F to 32-bit integers for BLAS/LAPACK [2] 9829 converting beta_3_6_6_1.F to 32-bit integers for BLAS/LAPACK [3] 9830 converting beta_3_4_9_1.F to 32-bit integers for BLAS/LAPACK [4] 9831 [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] 9832 converting beta_4_3_3.F to 32-bit integers for BLAS/LAPACK [2] 9833 converting beta_3_4_4.F to 32-bit integers for BLAS/LAPACK [3] 9834 converting beta_3_4_13_2.F to 32-bit integers for BLAS/LAPACK [4] 9835 [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] 9836 converting beta_3_4_10_8.F to 32-bit integers for BLAS/LAPACK [2] 9837 converting beta_1_4_6_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9838 converting beta_1_3_8_1_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9839 [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] 9840 converting beta_1_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9841 converting beta_1_3_5_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9842 converting beta_3_2_1_4_1.F to 32-bit integers for BLAS/LAPACK [4] 9843 [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] 9844 converting beta_1_3_1_7_1.F to 32-bit integers for BLAS/LAPACK [2] 9845 converting beta_3_7_7_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9846 converting beta_1_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 9847 [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] 9848 converting beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK [2] 9849 converting beta_3_7_5_1.F to 32-bit integers for BLAS/LAPACK [3] 9850 converting beta_3_7_4_3.F to 32-bit integers for BLAS/LAPACK [4] 9851 [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] 9852 converting beta_3_6_1.F to 32-bit integers for BLAS/LAPACK [2] 9853 converting beta_4_3_4.F to 32-bit integers for BLAS/LAPACK [3] 9854 converting beta_3_4_14_1.F to 32-bit integers for BLAS/LAPACK [4] 9855 [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] 9856 converting beta_3_2_9.F to 32-bit integers for BLAS/LAPACK [2] 9857 converting beta_1_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [3] 9858 converting beta_1_1_2_2_1.F to 32-bit integers for BLAS/LAPACK [4] 9859 [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] 9860 converting beta_3_2_2_3_1.F to 32-bit integers for BLAS/LAPACK [2] 9861 converting beta_3_7_6_3_1.F to 32-bit integers for BLAS/LAPACK [3] 9862 converting beta_1_2_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9863 [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] 9864 converting beta_3_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9865 converting beta_3_2_5_1.F to 32-bit integers for BLAS/LAPACK [3] 9866 converting beta_3_4_12_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9867 [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] 9868 converting beta_1_4_6_1.F to 32-bit integers for BLAS/LAPACK [2] 9869 converting beta_3_4_10_4_1.F to 32-bit integers for BLAS/LAPACK [3] 9870 converting beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK [4] 9871 [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] 9872 converting beta_3_6_7_1.F to 32-bit integers for BLAS/LAPACK [2] 9873 converting beta_3_7_4_4.F to 32-bit integers for BLAS/LAPACK [3] 9874 converting beta_1_1_2.F to 32-bit integers for BLAS/LAPACK [4] 9875 [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] 9876 converting beta_4_3_5.F to 32-bit integers for BLAS/LAPACK [2] 9877 converting beta_3_4_14_2.F to 32-bit integers for BLAS/LAPACK [3] 9878 converting beta_3_4_6.F to 32-bit integers for BLAS/LAPACK [4] 9879 [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] 9880 converting beta_1_1_3_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9881 converting beta_1_4_3_3_1.F to 32-bit integers for BLAS/LAPACK [3] 9882 converting beta_1_3_1_8_1.F to 32-bit integers for BLAS/LAPACK [4] 9883 [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] 9884 converting beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9885 converting beta_1_1_3_1.F to 32-bit integers for BLAS/LAPACK [3] 9886 converting beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [4] 9887 [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] 9888 converting beta_1_4_6_2.F to 32-bit integers for BLAS/LAPACK [2] 9889 converting beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK [3] 9890 converting beta_3_7_6_1.F to 32-bit integers for BLAS/LAPACK [4] 9891 [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] 9892 converting beta_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9893 converting beta_1_1_3.F to 32-bit integers for BLAS/LAPACK [3] 9894 converting beta_3_7_1.F to 32-bit integers for BLAS/LAPACK [4] 9895 [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] 9896 converting beta_3_4_7.F to 32-bit integers for BLAS/LAPACK [2] 9897 converting beta_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9898 converting beta_1_4_6_3_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9899 [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] 9900 converting beta_1_3_6_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9901 converting beta_3_2_2_4_1.F to 32-bit integers for BLAS/LAPACK [3] 9902 converting beta_3_4_10_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9903 [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] 9904 converting beta_3_7_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 9905 converting beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK [3] 9906 converting beta_1_2_2_1.F to 32-bit integers for BLAS/LAPACK [4] 9907 [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] 9908 converting beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK [2] 9909 converting beta_3_4_3_1.F to 32-bit integers for BLAS/LAPACK [3] 9910 converting beta_3_2_6_1.F to 32-bit integers for BLAS/LAPACK [4] 9911 [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] 9912 converting beta_1_4_6_3.F to 32-bit integers for BLAS/LAPACK [2] 9913 converting beta_3_7_6_2.F to 32-bit integers for BLAS/LAPACK [3] 9914 converting beta_2_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9915 [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] 9916 converting beta_3_7_2.F to 32-bit integers for BLAS/LAPACK [2] 9917 converting beta_3_6_4.F to 32-bit integers for BLAS/LAPACK [3] 9918 converting beta_3_4_8.F to 32-bit integers for BLAS/LAPACK [4] 9919 [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] 9920 converting beta_1_3_1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9921 converting beta_1_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [3] 9922 converting beta_1_4_5_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9923 [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] 9924 converting beta_3_2_9_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9925 converting beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK [3] 9926 converting beta_1_3_1_1.F to 32-bit integers for BLAS/LAPACK [4] 9927 [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] 9928 converting beta_3_4_3_2.F to 32-bit integers for BLAS/LAPACK [2] 9929 converting beta_3_4_13_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9930 converting beta_3_7_7_1.F to 32-bit integers for BLAS/LAPACK [4] 9931 [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] 9932 converting beta_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 9933 converting beta_2_1_2.F to 32-bit integers for BLAS/LAPACK [3] 9934 converting beta_1_2_3.F to 32-bit integers for BLAS/LAPACK [4] 9935 [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] 9936 converting beta_3_6_5.F to 32-bit integers for BLAS/LAPACK [2] 9937 converting beta_3_4_9.F to 32-bit integers for BLAS/LAPACK [3] 9938 converting beta_2_1.F to 32-bit integers for BLAS/LAPACK [4] 9939 [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] 9941 converting beta_1_4_1_5_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9942 converting beta_1_3_6_2_1.F to 32-bit integers for BLAS/LAPACK [3] 9943 converting beta_3_6_4_2_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 beta_2_1_2_2.F to 32-bit integers for BLAS/LAPACK [1] 9945 converting beta_1_3_1_2.F to 32-bit integers for BLAS/LAPACK [2] 9946 converting beta_1_2_3_1.F to 32-bit integers for BLAS/LAPACK [3] 9947 converting beta_3_6_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 beta_3_4_4_1.F to 32-bit integers for BLAS/LAPACK [1] 9949 converting beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 9950 converting beta_3_2_7_1.F to 32-bit integers for BLAS/LAPACK [3] 9951 converting beta_3_4_10_6_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 beta_3_7_6_4.F to 32-bit integers for BLAS/LAPACK [1] 9953 converting beta_2_1_3.F to 32-bit integers for BLAS/LAPACK [2] 9954 converting beta_1_3_2.F to 32-bit integers for BLAS/LAPACK [3] 9955 converting beta_3_7_4.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 beta_3_6_6.F to 32-bit integers for BLAS/LAPACK [1] 9957 converting beta_1_4.F to 32-bit integers for BLAS/LAPACK [2] 9958 converting beta_3_4_10.F to 32-bit integers for BLAS/LAPACK [3] 9959 converting beta_1_3_1_2_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 beta_1_2_3_1_1.F to 32-bit integers for BLAS/LAPACK [1] 9961 converting beta_3_4_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 9962 converting beta_1_3_7_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9963 converting beta_3_1_1_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 beta_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [1] 9965 converting beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 9966 converting beta_1_3_1_3.F to 32-bit integers for BLAS/LAPACK [3] 9967 converting beta_4_3_4_1.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 beta_3_6_1_2.F to 32-bit integers for BLAS/LAPACK [1] 9969 converting beta_3_4_13_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9970 converting beta_3_4_4_2.F to 32-bit integers for BLAS/LAPACK [3] 9971 converting beta_3_7_8_1.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 beta_3_1_1.F to 32-bit integers for BLAS/LAPACK [1] 9973 converting beta_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 9974 converting beta_1_3_3.F to 32-bit integers for BLAS/LAPACK [3] 9975 converting beta_2_1_4.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 beta_3_7_5.F to 32-bit integers for BLAS/LAPACK [1] 9977 converting beta_3_6_7.F to 32-bit integers for BLAS/LAPACK [2] 9978 converting beta_3_1.F to 32-bit integers for BLAS/LAPACK [3] 9979 converting beta_3_4_11.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 beta_1_3_2_1_1.F to 32-bit integers for BLAS/LAPACK [1] 9981 converting beta_1_4_6_1_1.F to 32-bit integers for BLAS/LAPACK [2] 9982 converting beta_3_7_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9983 converting beta_1_4_1_1.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 beta_3_1_1_2.F to 32-bit integers for BLAS/LAPACK [1] 9985 converting beta_1_3_1_4.F to 32-bit integers for BLAS/LAPACK [2] 9986 converting beta_3_6_2_1.F to 32-bit integers for BLAS/LAPACK [3] 9987 converting beta_3_4_14_1_1.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 beta_3_4_5_1.F to 32-bit integers for BLAS/LAPACK [1] 9989 converting beta_3_2_8_1.F to 32-bit integers for BLAS/LAPACK [2] 9990 converting beta_3_4_10_7_1.F to 32-bit integers for BLAS/LAPACK [3] 9991 converting beta_3_1_2.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 beta_1_4_2.F to 32-bit integers for BLAS/LAPACK [1] 9993 converting beta_1_3_4.F to 32-bit integers for BLAS/LAPACK [2] 9994 converting beta_3_7_6.F to 32-bit integers for BLAS/LAPACK [3] 9995 converting beta_3_2.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 beta_3_4_12.F to 32-bit integers for BLAS/LAPACK [1] 9997 converting beta_3_7_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 9998 converting beta_1_4_1_1_1.F to 32-bit integers for BLAS/LAPACK [3] 9999 converting beta_1_3_1_3_1.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 beta_1_3_7_2_1.F to 32-bit integers for BLAS/LAPACK [1] 10001 converting beta_3_7_4_1_2.F to 32-bit integers for BLAS/LAPACK [2] 10002 converting beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK [3] 10003 converting beta_1_4_1_2.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 beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 10005 converting beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 10006 converting beta_1_3_1_5.F to 32-bit integers for BLAS/LAPACK [3] 10007 converting beta_3_7_1_1.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 beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK [1] 10009 converting beta_3_4_5_2.F to 32-bit integers for BLAS/LAPACK [2] 10010 converting beta_3_2_1.F to 32-bit integers for BLAS/LAPACK [3] 10011 converting beta_3_1_3.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 beta_1_4_3.F to 32-bit integers for BLAS/LAPACK [1] 10013 converting beta_3_4_10_1.F to 32-bit integers for BLAS/LAPACK [2] 10014 converting beta_1_3_5.F to 32-bit integers for BLAS/LAPACK [3] 10015 converting beta_3_7_7.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 beta_4_1.F to 32-bit integers for BLAS/LAPACK [1] 10017 converting beta_3_3.F to 32-bit integers for BLAS/LAPACK [2] 10018 converting beta_3_4_13.F to 32-bit integers for BLAS/LAPACK [3] 10019 converting beta_1_3_1_8_1_1.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 beta_1_4_1_1_2.F to 32-bit integers for BLAS/LAPACK [1] 10021 converting beta_1_4_6_2_1.F to 32-bit integers for BLAS/LAPACK [2] 10022 converting beta_1_3_8_1_1.F to 32-bit integers for BLAS/LAPACK [3] 10023 converting beta_3_7_4_2_1.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 beta_3_2_1_1.F to 32-bit integers for BLAS/LAPACK [1] 10025 converting beta_1_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 10026 converting beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 10027 converting beta_1_4_1_3.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 beta_1_3_1_6.F to 32-bit integers for BLAS/LAPACK [1] 10029 converting beta_3_6_3_1.F to 32-bit integers for BLAS/LAPACK [2] 10030 converting beta_3_4_14_2_1.F to 32-bit integers for BLAS/LAPACK [3] 10031 converting beta_3_4_6_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 beta_3_2_9_1.F to 32-bit integers for BLAS/LAPACK [1] 10033 converting beta_3_4_10_8_1.F to 32-bit integers for BLAS/LAPACK [2] 10034 converting beta_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 10035 converting beta_3_2_2.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 beta_3_1_4.F to 32-bit integers for BLAS/LAPACK [1] 10037 converting beta_1_4_4.F to 32-bit integers for BLAS/LAPACK [2] 10038 converting beta_3_4_10_2.F to 32-bit integers for BLAS/LAPACK [3] 10039 converting beta_1_3_6.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 beta_3_7_8.F to 32-bit integers for BLAS/LAPACK [1] 10041 converting beta_4_2.F to 32-bit integers for BLAS/LAPACK [2] 10042 converting beta_3_4.F to 32-bit integers for BLAS/LAPACK [3] 10043 converting beta_3_4_14.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 ) 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] 12915 converting ccd_t2.F to 32-bit integers for BLAS/LAPACK [2] 12916 [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] 15862 converting lccd_t2.F to 32-bit integers for BLAS/LAPACK [2] 15863 [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] 18739 converting lccsd_t1.F to 32-bit integers for BLAS/LAPACK [2] 18740 converting lccsd_t2.F to 32-bit integers for BLAS/LAPACK [3] 18741 [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] 21615 converting qcisd_t1.F to 32-bit integers for BLAS/LAPACK [2] 21616 converting qcisd_t2.F to 32-bit integers for BLAS/LAPACK [3] 21617 [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] 24481 converting ccsdt1b_t3.F to 32-bit integers for BLAS/LAPACK [2] 24482 converting ccsdt2_t3.F to 32-bit integers for BLAS/LAPACK [3] 24483 converting ccsdt3_t3.F to 32-bit integers for BLAS/LAPACK [4] 24484 [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] 24485 converting eomcc3_x3.F to 32-bit integers for BLAS/LAPACK [2] 24486 converting eomccsdt3_x3.F to 32-bit integers for BLAS/LAPACK [3] 24487 converting cc3_lambda3.F to 32-bit integers for BLAS/LAPACK [4] 24488 [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] 27353 converting mbpt1_t2.F to 32-bit integers for BLAS/LAPACK [2] 27354 [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] 30216 converting mbpt2_t1.F to 32-bit integers for BLAS/LAPACK [2] 30217 converting mbpt2_t2_b.F to 32-bit integers for BLAS/LAPACK [3] 30218 converting mbpt2_t2.F to 32-bit integers for BLAS/LAPACK [4] 30219 [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] 30220 converting mbpt2_t1_sd.F to 32-bit integers for BLAS/LAPACK [2] 30221 converting mbpt2_t2_sd.F to 32-bit integers for BLAS/LAPACK [3] 30222 converting mbpt2_t4.F to 32-bit integers for BLAS/LAPACK [4] 30223 [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] 623 converting mbpt3_t1.F to 32-bit integers for BLAS/LAPACK [2] 624 converting mbpt3_t2.F to 32-bit integers for BLAS/LAPACK [3] 625 converting mbpt3_t1_sd.F to 32-bit integers for BLAS/LAPACK [4] 626 [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] 627 [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] 3512 [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] 6505 converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK [2] 6506 [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] 9428 converting cisd_c2.F to 32-bit integers for BLAS/LAPACK [2] 9429 converting cisd_e.F to 32-bit integers for BLAS/LAPACK [3] 9430 [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] 12301 converting cisdt_c2.F to 32-bit integers for BLAS/LAPACK [2] 12302 converting cisdt_c3.F to 32-bit integers for BLAS/LAPACK [3] 12303 converting cisdt_e.F to 32-bit integers for BLAS/LAPACK [4] 12304 [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] 15249 converting cisdtq_c2.F to 32-bit integers for BLAS/LAPACK [2] 15250 converting cisdtq_c3.F to 32-bit integers for BLAS/LAPACK [3] 15251 converting cisdtq_c4.F to 32-bit integers for BLAS/LAPACK [4] 15252 [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] 15253 [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] 18116 converting ccsdt_t1a.F to 32-bit integers for BLAS/LAPACK [2] 18117 converting ccsdt_t1.F to 32-bit integers for BLAS/LAPACK [3] 18118 converting ccsdt_t2a.F to 32-bit integers for BLAS/LAPACK [4] 18119 [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] 18120 converting ccsdt_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 18121 converting ccsdt_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 18122 converting ccsdt_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK [4] 18123 [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] 18124 converting ccsdt_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK [2] 18125 converting ccsdt_t3_1_3.F to 32-bit integers for BLAS/LAPACK [3] 18126 converting ccsdt_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK [4] 18127 [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] 18128 converting ccsdt_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK [2] 18129 converting ccsdt_t3_1_5.F to 32-bit integers for BLAS/LAPACK [3] 18130 converting ccsdt_t3_1_6.F to 32-bit integers for BLAS/LAPACK [4] 18131 [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] 18132 converting ccsdt_t3_1.F to 32-bit integers for BLAS/LAPACK [2] 18133 converting ccsdt_t3_2_2.F to 32-bit integers for BLAS/LAPACK [3] 18134 converting ccsdt_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK [4] 18135 [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] 18136 converting ccsdt_t3_2_4.F to 32-bit integers for BLAS/LAPACK [2] 18137 converting ccsdt_t3_2_5.F to 32-bit integers for BLAS/LAPACK [3] 18138 converting ccsdt_t3_2.F to 32-bit integers for BLAS/LAPACK [4] 18139 [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] 18140 converting ccsdt_t3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 18141 converting ccsdt_t3_3_3.F to 32-bit integers for BLAS/LAPACK [3] 18142 converting ccsdt_t3_3_4.F to 32-bit integers for BLAS/LAPACK [4] 18143 [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] 18156 converting ccsdt_t3_4_2.F to 32-bit integers for BLAS/LAPACK [2] 18157 converting ccsdt_t3_4_3.F to 32-bit integers for BLAS/LAPACK [3] 18158 converting ccsdt_t3_4.F to 32-bit integers for BLAS/LAPACK [4] 18159 [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] 18160 converting ccsdt_t3_5_2.F to 32-bit integers for BLAS/LAPACK [2] 18161 converting ccsdt_t3_5_3.F to 32-bit integers for BLAS/LAPACK [3] 18162 converting ccsdt_t3_5.F to 32-bit integers for BLAS/LAPACK [4] 18163 [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] 18164 converting ccsdt_t3_6_3.F to 32-bit integers for BLAS/LAPACK [2] 18165 converting ccsdt_t3_6.F to 32-bit integers for BLAS/LAPACK [3] 18166 converting ccsdt_t3_7.F to 32-bit integers for BLAS/LAPACK [4] 18168 [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] 18175 converting ccsdt_t3_8_1_2.F to 32-bit integers for BLAS/LAPACK [2] 18176 converting ccsdt_t3_8_1_3.F to 32-bit integers for BLAS/LAPACK [3] 18177 converting ccsdt_t3_8_1_4.F to 32-bit integers for BLAS/LAPACK [4] 18178 [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] 18179 converting ccsdt_t3_8_2_2.F to 32-bit integers for BLAS/LAPACK [2] 18180 converting ccsdt_t3_8_2.F to 32-bit integers for BLAS/LAPACK [3] 18181 converting ccsdt_t3_8_3_2.F to 32-bit integers for BLAS/LAPACK [4] 18182 [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] 18183 converting ccsdt_t3_8_4.F to 32-bit integers for BLAS/LAPACK [2] 18184 converting ccsdt_t3_8_5_1.F to 32-bit integers for BLAS/LAPACK [3] 18185 converting ccsdt_t3_8_5.F to 32-bit integers for BLAS/LAPACK [4] 18186 [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] 18187 converting ccsdt_t3_9_1.F to 32-bit integers for BLAS/LAPACK [2] 18188 converting ccsdt_t3_9.F to 32-bit integers for BLAS/LAPACK [3] 18189 converting ccsdt_t3a_1_2_2_2.F to 32-bit integers for BLAS/LAPACK [4] 18190 [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] 18191 converting ccsdt_t3a_1_2_3.F to 32-bit integers for BLAS/LAPACK [2] 18192 converting ccsdt_t3a_1_2.F to 32-bit integers for BLAS/LAPACK [3] 18193 converting ccsdt_t3a_1_3_2.F to 32-bit integers for BLAS/LAPACK [4] 18194 [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] 18195 converting ccsdt_t3a_1_4_2.F to 32-bit integers for BLAS/LAPACK [2] 18196 converting ccsdt_t3a_1_4.F to 32-bit integers for BLAS/LAPACK [3] 18197 converting ccsdt_t3a_1_5_2.F to 32-bit integers for BLAS/LAPACK [4] 18198 [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] 18199 converting ccsdt_t3a_1_6.F to 32-bit integers for BLAS/LAPACK [2] 18200 converting ccsdt_t3a_1_7.F to 32-bit integers for BLAS/LAPACK [3] 18201 converting ccsdt_t3a_1.F to 32-bit integers for BLAS/LAPACK [4] 18202 [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] 18203 converting ccsdt_t3a_2_3_2.F to 32-bit integers for BLAS/LAPACK [2] 18204 converting ccsdt_t3a_2_3.F to 32-bit integers for BLAS/LAPACK [3] 18205 converting ccsdt_t3a_2_4.F to 32-bit integers for BLAS/LAPACK [4] 18206 [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] 18207 converting ccsdt_t3a_2.F to 32-bit integers for BLAS/LAPACK [2] 18208 converting ccsdt_t3a_3_2_2.F to 32-bit integers for BLAS/LAPACK [3] 18209 converting ccsdt_t3a_3_2.F to 32-bit integers for BLAS/LAPACK [4] 18210 [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] 18211 converting ccsdt_t3a_3_4.F to 32-bit integers for BLAS/LAPACK [2] 18212 converting ccsdt_t3a_3.F to 32-bit integers for BLAS/LAPACK [3] 18213 converting ccsdt_t3a_4_2.F to 32-bit integers for BLAS/LAPACK [4] 18214 [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] 18215 converting ccsdt_t3a_4.F to 32-bit integers for BLAS/LAPACK [2] 18216 converting ccsdt_t3a_5_2_2.F to 32-bit integers for BLAS/LAPACK [3] 18217 converting ccsdt_t3a_5_2.F to 32-bit integers for BLAS/LAPACK [4] 18218 [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] 18219 converting ccsdt_t3a_5.F to 32-bit integers for BLAS/LAPACK [2] 18220 converting ccsdt_t3a_6_2.F to 32-bit integers for BLAS/LAPACK [3] 18221 converting ccsdt_t3a_6_3.F to 32-bit integers for BLAS/LAPACK [4] 18222 [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] 18223 converting ccsdt_t3a_7.F to 32-bit integers for BLAS/LAPACK [2] 18224 converting ccsdt_t3a_8_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 18225 converting ccsdt_t3a_8_1_2.F to 32-bit integers for BLAS/LAPACK [4] 18226 [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] 18227 converting ccsdt_t3a_8_1_4.F to 32-bit integers for BLAS/LAPACK [2] 18228 converting ccsdt_t3a_8_1.F to 32-bit integers for BLAS/LAPACK [3] 18229 converting ccsdt_t3a_8_2_2.F to 32-bit integers for BLAS/LAPACK [4] 18230 [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] 18231 converting ccsdt_t3a_8_3_2.F to 32-bit integers for BLAS/LAPACK [2] 18232 converting ccsdt_t3a_8_3.F to 32-bit integers for BLAS/LAPACK [3] 18233 converting ccsdt_t3a_8_4.F to 32-bit integers for BLAS/LAPACK [4] 18234 [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] 18235 converting ccsdt_t3a_8_5.F to 32-bit integers for BLAS/LAPACK [2] 18236 converting ccsdt_t3a_8.F to 32-bit integers for BLAS/LAPACK [3] 18237 converting ccsdt_t3a_9_1.F to 32-bit integers for BLAS/LAPACK [4] 18238 [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] 18239 [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] 21112 converting ccsdt_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK [2] 21113 converting ccsdt_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK [3] 21114 converting ccsdt_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK [4] 21115 [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] 21116 converting ccsdt_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK [2] 21117 converting ccsdt_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK [3] 21118 converting ccsdt_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK [4] 21119 [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] 21120 converting ccsdt_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK [2] 21121 converting ccsdt_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK [3] 21122 converting ccsdt_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK [4] 21123 [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] 21124 converting ccsdt_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK [2] 21125 converting ccsdt_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK [3] 21126 converting ccsdt_lambda1_13.F to 32-bit integers for BLAS/LAPACK [4] 21127 [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] 21128 converting ccsdt_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK [2] 21129 converting ccsdt_lambda1_14_3_1.F to 32-bit integers for BLAS/LAPACK [3] 21130 converting ccsdt_lambda1_14_3_2.F to 32-bit integers for BLAS/LAPACK [4] 21131 [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] 21132 converting ccsdt_lambda1_14_3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 21133 converting ccsdt_lambda1_14_3_3.F to 32-bit integers for BLAS/LAPACK [3] 21134 converting ccsdt_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK [4] 21135 [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] 21136 converting ccsdt_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK [2] 21137 converting ccsdt_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK [3] 21138 converting ccsdt_lambda1_14_5_2.F to 32-bit integers for BLAS/LAPACK [4] 21139 [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] 21140 converting ccsdt_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK [2] 21141 converting ccsdt_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK [3] 21142 converting ccsdt_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK [4] 21143 [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] 21144 converting ccsdt_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK [2] 21145 converting ccsdt_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK [3] 21146 converting ccsdt_lambda1_14_9_1_1.F to 32-bit integers for BLAS/LAPACK [4] 21147 [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] 21148 converting ccsdt_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK [2] 21149 converting ccsdt_lambda1_14.F to 32-bit integers for BLAS/LAPACK [3] 21150 converting ccsdt_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK [4] 21151 [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] 21152 converting ccsdt_lambda1_15_3_1.F to 32-bit integers for BLAS/LAPACK [2] 21153 converting ccsdt_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK [3] 21154 converting ccsdt_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK [4] 21155 [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] 21156 converting ccsdt_lambda1_15.F to 32-bit integers for BLAS/LAPACK [2] 21157 converting ccsdt_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK [3] 21158 converting ccsdt_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK [4] 21159 [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] 21160 converting ccsdt_lambda1_16_3_2.F to 32-bit integers for BLAS/LAPACK [2] 21161 converting ccsdt_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK [3] 21162 converting ccsdt_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK [4] 21163 [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] 21164 converting ccsdt_lambda1_16.F to 32-bit integers for BLAS/LAPACK [2] 21165 converting ccsdt_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK [3] 21166 converting ccsdt_lambda1_17.F to 32-bit integers for BLAS/LAPACK [4] 21167 [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] 21168 converting ccsdt_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK [2] 21169 converting ccsdt_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK [3] 21170 converting ccsdt_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK [4] 21171 [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] 21172 converting ccsdt_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK [2] 21173 converting ccsdt_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK [3] 21174 converting ccsdt_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK [4] 21175 [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] 21176 converting ccsdt_lambda1_18_5_1.F to 32-bit integers for BLAS/LAPACK [2] 21177 converting ccsdt_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK [3] 21178 converting ccsdt_lambda1_18_6_1_1.F to 32-bit integers for BLAS/LAPACK [4] 21179 [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] 21180 converting ccsdt_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK [2] 21181 converting ccsdt_lambda1_18.F to 32-bit integers for BLAS/LAPACK [3] 21182 converting ccsdt_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK [4] 21183 [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] 21184 converting ccsdt_lambda1_20_1_1.F to 32-bit integers for BLAS/LAPACK [2] 21185 converting ccsdt_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK [3] 21186 converting ccsdt_lambda1_20.F to 32-bit integers for BLAS/LAPACK [4] 21187 [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] 21188 converting ccsdt_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK [2] 21189 converting ccsdt_lambda1_21_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 21190 converting ccsdt_lambda1_21_2_1.F to 32-bit integers for BLAS/LAPACK [4] 21191 [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] 21192 converting ccsdt_lambda1_21.F to 32-bit integers for BLAS/LAPACK [2] 21193 converting ccsdt_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK [3] 21194 converting ccsdt_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK [4] 21195 [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] 21196 converting ccsdt_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK [2] 21197 converting ccsdt_lambda1_2.F to 32-bit integers for BLAS/LAPACK [3] 21198 converting ccsdt_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK [4] 21199 [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] 21200 converting ccsdt_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK [2] 21201 converting ccsdt_lambda1_3.F to 32-bit integers for BLAS/LAPACK [3] 21202 converting ccsdt_lambda1_4.F to 32-bit integers for BLAS/LAPACK [4] 21203 [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] 21204 converting ccsdt_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK [2] 21205 converting ccsdt_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK [3] 21206 converting ccsdt_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK [4] 21207 [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] 21208 converting ccsdt_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK [2] 21209 converting ccsdt_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK [3] 21210 converting ccsdt_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK [4] 21211 [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] 21212 converting ccsdt_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK [2] 21213 converting ccsdt_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK [3] 21214 converting ccsdt_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK [4] 21215 [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] 21216 converting ccsdt_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK [2] 21217 converting ccsdt_lambda1_5.F to 32-bit integers for BLAS/LAPACK [3] 21218 converting ccsdt_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK [4] 21219 [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] 21220 converting ccsdt_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK [2] 21221 converting ccsdt_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK [3] 21222 converting ccsdt_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK [4] 21223 [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] 21224 converting ccsdt_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK [2] 21225 converting ccsdt_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK [3] 21226 converting ccsdt_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK [4] 21227 [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] 21228 converting ccsdt_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK [2] 21229 converting ccsdt_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK [3] 21230 converting ccsdt_lambda1_6.F to 32-bit integers for BLAS/LAPACK [4] 21231 [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] 21232 converting ccsdt_lambda1_7.F to 32-bit integers for BLAS/LAPACK [2] 21233 converting ccsdt_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK [3] 21234 converting ccsdt_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK [4] 21235 [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] 21236 converting ccsdt_lambda1_8_12_1.F to 32-bit integers for BLAS/LAPACK [2] 21237 converting ccsdt_lambda1_8_12_2.F to 32-bit integers for BLAS/LAPACK [3] 21238 converting ccsdt_lambda1_8_12_3.F to 32-bit integers for BLAS/LAPACK [4] 21239 [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] 21241 converting ccsdt_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK [2] 21242 converting ccsdt_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK [3] 21243 converting ccsdt_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK [4] 21244 [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] 21245 converting ccsdt_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK [2] 21246 converting ccsdt_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK [3] 21247 converting ccsdt_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK [4] 21248 [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] 21249 converting ccsdt_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 21250 converting ccsdt_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK [3] 21251 converting ccsdt_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK [4] 21252 [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] 21253 converting ccsdt_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK [2] 21254 converting ccsdt_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK [3] 21255 converting ccsdt_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK [4] 21256 [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] 21257 converting ccsdt_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK [2] 21258 converting ccsdt_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK [3] 21259 converting ccsdt_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK [4] 21260 [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] 21261 converting ccsdt_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK [2] 21262 converting ccsdt_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK [3] 21263 converting ccsdt_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK [4] 21264 [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] 21265 converting ccsdt_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK [2] 21266 converting ccsdt_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK [3] 21267 converting ccsdt_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK [4] 21268 [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] 21269 converting ccsdt_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK [2] 21270 converting ccsdt_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK [3] 21271 converting ccsdt_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK [4] 21272 [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] 21273 converting ccsdt_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK [2] 21274 converting ccsdt_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK [3] 21275 converting ccsdt_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK [4] 21276 [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] 21277 converting ccsdt_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK [2] 21278 converting ccsdt_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK [3] 21279 converting ccsdt_lambda1_9_4_1.F to 32-bit integers for BLAS/LAPACK [4] 21280 [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] 21281 converting ccsdt_lambda1_9_4_3.F to 32-bit integers for BLAS/LAPACK [2] 21282 converting ccsdt_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK [3] 21283 converting ccsdt_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK [4] 21284 [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] 21285 converting ccsdt_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK [2] 21286 converting ccsdt_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK [3] 21287 converting ccsdt_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK [4] 21288 [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] 21289 converting ccsdt_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 21290 converting ccsdt_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK [3] 21291 converting ccsdt_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK [4] 21292 [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] 21293 converting ccsdt_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK [2] 21294 converting ccsdt_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK [3] 21295 converting ccsdt_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK [4] 21296 [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] 21297 converting ccsdt_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK [2] 21298 converting ccsdt_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK [3] 21299 converting ccsdt_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK [4] 21300 [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] 21301 converting ccsdt_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK [2] 21302 converting ccsdt_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK [3] 21303 converting ccsdt_lambda2_10.F to 32-bit integers for BLAS/LAPACK [4] 21304 [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] 21305 converting ccsdt_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK [2] 21306 converting ccsdt_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK [3] 21307 converting ccsdt_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK [4] 21308 [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] 21309 converting ccsdt_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK [2] 21310 converting ccsdt_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK [3] 21311 converting ccsdt_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK [4] 21312 [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] 21313 converting ccsdt_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK [2] 21314 converting ccsdt_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK [3] 21315 converting ccsdt_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK [4] 21316 [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] 21317 converting ccsdt_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK [2] 21318 converting ccsdt_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK [3] 21319 converting ccsdt_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK [4] 21320 [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] 21321 converting ccsdt_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK [2] 21322 converting ccsdt_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK [3] 21323 converting ccsdt_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK [4] 21324 [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] 21325 converting ccsdt_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK [2] 21326 converting ccsdt_lambda2_12.F to 32-bit integers for BLAS/LAPACK [3] 21327 converting ccsdt_lambda2_13_1.F to 32-bit integers for BLAS/LAPACK [4] 21328 [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] 21329 converting ccsdt_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK [2] 21330 converting ccsdt_lambda2_13.F to 32-bit integers for BLAS/LAPACK [3] 21331 converting ccsdt_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK [4] 21332 [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] 21333 converting ccsdt_lambda2_14.F to 32-bit integers for BLAS/LAPACK [2] 21334 converting ccsdt_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK [3] 21335 converting ccsdt_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK [4] 21336 [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] 21337 converting ccsdt_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK [2] 21338 converting ccsdt_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK [3] 21339 converting ccsdt_lambda2_16.F to 32-bit integers for BLAS/LAPACK [4] 21340 [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] 21341 converting ccsdt_lambda2_17.F to 32-bit integers for BLAS/LAPACK [2] 21342 converting ccsdt_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK [3] 21343 converting ccsdt_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK [4] 21344 [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] 21345 converting ccsdt_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK [2] 21346 converting ccsdt_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK [3] 21347 converting ccsdt_lambda2_19_3_1.F to 32-bit integers for BLAS/LAPACK [4] 21348 [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] 21349 converting ccsdt_lambda2_19_4_1.F to 32-bit integers for BLAS/LAPACK [2] 21350 converting ccsdt_lambda2_19_4.F to 32-bit integers for BLAS/LAPACK [3] 21351 converting ccsdt_lambda2_19.F to 32-bit integers for BLAS/LAPACK [4] 21352 [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] 21353 converting ccsdt_lambda2_20.F to 32-bit integers for BLAS/LAPACK [2] 21354 converting ccsdt_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK [3] 21355 converting ccsdt_lambda2_21.F to 32-bit integers for BLAS/LAPACK [4] 21356 [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] 21357 converting ccsdt_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 21358 converting ccsdt_lambda2_22.F to 32-bit integers for BLAS/LAPACK [3] 21359 converting ccsdt_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK [4] 21360 [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] 21361 converting ccsdt_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK [2] 21362 converting ccsdt_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK [3] 21363 converting ccsdt_lambda2_23_3_1.F to 32-bit integers for BLAS/LAPACK [4] 21364 [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] 21365 converting ccsdt_lambda2_23.F to 32-bit integers for BLAS/LAPACK [2] 21366 converting ccsdt_lambda2_24_1_1.F to 32-bit integers for BLAS/LAPACK [3] 21367 converting ccsdt_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK [4] 21368 [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] 21369 converting ccsdt_lambda2_25_1_1.F to 32-bit integers for BLAS/LAPACK [2] 21370 converting ccsdt_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK [3] 21371 converting ccsdt_lambda2_25.F to 32-bit integers for BLAS/LAPACK [4] 21372 [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] 21373 converting ccsdt_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK [2] 21374 converting ccsdt_lambda2_26_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 21375 converting ccsdt_lambda2_26_2_1.F to 32-bit integers for BLAS/LAPACK [4] 21376 [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] 21377 converting ccsdt_lambda2_26.F to 32-bit integers for BLAS/LAPACK [2] 21378 converting ccsdt_lambda2_2.F to 32-bit integers for BLAS/LAPACK [3] 21379 converting ccsdt_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK [4] 21380 [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] 21381 converting ccsdt_lambda2_4.F to 32-bit integers for BLAS/LAPACK [2] 21382 converting ccsdt_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK [3] 21383 converting ccsdt_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK [4] 21384 [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] 21385 converting ccsdt_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK [2] 21386 converting ccsdt_lambda2_5.F to 32-bit integers for BLAS/LAPACK [3] 21387 converting ccsdt_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK [4] 21388 [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] 21389 converting ccsdt_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 21390 converting ccsdt_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK [3] 21391 converting ccsdt_lambda2_6.F to 32-bit integers for BLAS/LAPACK [4] 21392 [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] 21393 converting ccsdt_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK [2] 21394 converting ccsdt_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK [3] 21395 converting ccsdt_lambda2_7.F to 32-bit integers for BLAS/LAPACK [4] 21396 [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] 21397 converting ccsdt_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK [2] 21398 converting ccsdt_lambda2_8.F to 32-bit integers for BLAS/LAPACK [3] 21399 converting ccsdt_lambda2_9.F to 32-bit integers for BLAS/LAPACK [4] 21400 [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] 21401 [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] 24266 converting eomccsdt_density1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 24267 converting eomccsdt_density1_1_2.F to 32-bit integers for BLAS/LAPACK [3] 24268 converting eomccsdt_density1_1_3.F to 32-bit integers for BLAS/LAPACK [4] 24269 [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] 24270 converting eomccsdt_density1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 24271 converting eomccsdt_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK [3] 24272 converting eomccsdt_density1_2_2.F to 32-bit integers for BLAS/LAPACK [4] 24273 [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] 24274 converting eomccsdt_density1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 24275 converting eomccsdt_density1_3_2.F to 32-bit integers for BLAS/LAPACK [3] 24276 converting eomccsdt_density1_3_3.F to 32-bit integers for BLAS/LAPACK [4] 24277 [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] 24278 converting eomccsdt_density1_3_4_2.F to 32-bit integers for BLAS/LAPACK [2] 24279 converting eomccsdt_density1_3_4_3.F to 32-bit integers for BLAS/LAPACK [3] 24280 converting eomccsdt_density1_3_4.F to 32-bit integers for BLAS/LAPACK [4] 24281 [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] 24282 converting eomccsdt_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK [2] 24283 converting eomccsdt_density1_3_5.F to 32-bit integers for BLAS/LAPACK [3] 24284 converting eomccsdt_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK [4] 24285 [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] 24286 converting eomccsdt_density1_3.F to 32-bit integers for BLAS/LAPACK [2] 24287 converting eomccsdt_density1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 24288 converting eomccsdt_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK [4] 24289 [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] 24290 converting eomccsdt_density1_4.F to 32-bit integers for BLAS/LAPACK [2] 24291 converting eomccsdt_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK [3] 24292 converting eomccsdt_density1_5_10_2_1.F to 32-bit integers for BLAS/LAPACK [4] 24293 [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] 24294 converting eomccsdt_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK [2] 24295 converting eomccsdt_density1_5_10_3_1.F to 32-bit integers for BLAS/LAPACK [3] 24296 converting eomccsdt_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK [4] 24297 [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] 24298 converting eomccsdt_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK [2] 24299 converting eomccsdt_density1_5_11.F to 32-bit integers for BLAS/LAPACK [3] 24300 converting eomccsdt_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK [4] 24301 [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] 24302 converting eomccsdt_density1_5_13_1_1.F to 32-bit integers for BLAS/LAPACK [2] 24303 converting eomccsdt_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK [3] 24304 converting eomccsdt_density1_5_13.F to 32-bit integers for BLAS/LAPACK [4] 24305 [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] 24306 converting eomccsdt_density1_5_2.F to 32-bit integers for BLAS/LAPACK [2] 24307 converting eomccsdt_density1_5_3_1.F to 32-bit integers for BLAS/LAPACK [3] 24308 converting eomccsdt_density1_5_3_2.F to 32-bit integers for BLAS/LAPACK [4] 24309 [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] 24310 converting eomccsdt_density1_5_3_4_1.F to 32-bit integers for BLAS/LAPACK [2] 24311 converting eomccsdt_density1_5_3_4_2.F to 32-bit integers for BLAS/LAPACK [3] 24312 converting eomccsdt_density1_5_3_4_3.F to 32-bit integers for BLAS/LAPACK [4] 24313 [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] 24314 converting eomccsdt_density1_5_3_5_1.F to 32-bit integers for BLAS/LAPACK [2] 24315 converting eomccsdt_density1_5_3_5_2.F to 32-bit integers for BLAS/LAPACK [3] 24316 converting eomccsdt_density1_5_3_5.F to 32-bit integers for BLAS/LAPACK [4] 24317 [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] 24318 converting eomccsdt_density1_5_3_6.F to 32-bit integers for BLAS/LAPACK [2] 24319 converting eomccsdt_density1_5_3.F to 32-bit integers for BLAS/LAPACK [3] 24320 converting eomccsdt_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK [4] 24321 [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] 24344 converting eomccsdt_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK [2] 24345 converting eomccsdt_density1_5_4.F to 32-bit integers for BLAS/LAPACK [3] 24346 converting eomccsdt_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK [4] 24347 [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] 24430 converting eomccsdt_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK [2] 24431 converting eomccsdt_density1_5_5.F to 32-bit integers for BLAS/LAPACK [3] 24432 converting eomccsdt_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK [4] 24433 [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] 24445 converting eomccsdt_density1_5_6.F to 32-bit integers for BLAS/LAPACK [2] 24446 converting eomccsdt_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK [3] 24447 converting eomccsdt_density1_5_7.F to 32-bit integers for BLAS/LAPACK [4] 24448 [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] 24473 converting eomccsdt_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK [2] 24474 converting eomccsdt_density1_5_8_3.F to 32-bit integers for BLAS/LAPACK [3] 24475 converting eomccsdt_density1_5_8.F to 32-bit integers for BLAS/LAPACK [4] 24476 [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] 24500 converting eomccsdt_density1_5_9_2.F to 32-bit integers for BLAS/LAPACK [2] 24501 converting eomccsdt_density1_5_9.F to 32-bit integers for BLAS/LAPACK [3] 24502 converting eomccsdt_density1_5.F to 32-bit integers for BLAS/LAPACK [4] 24503 [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] 24518 converting eomccsdt_density1_6_2.F to 32-bit integers for BLAS/LAPACK [2] 24519 converting eomccsdt_density1_6_3_1.F to 32-bit integers for BLAS/LAPACK [3] 24520 converting eomccsdt_density1_6_3_2.F to 32-bit integers for BLAS/LAPACK [4] 24521 [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] 24593 converting eomccsdt_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 24594 converting eomccsdt_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK [3] 24595 converting eomccsdt_density1_6_4.F to 32-bit integers for BLAS/LAPACK [4] 24597 [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] 24618 converting eomccsdt_density1_6_5.F to 32-bit integers for BLAS/LAPACK [2] 24619 converting eomccsdt_density1_6.F to 32-bit integers for BLAS/LAPACK [3] 24620 converting eomccsdt_x1a.F to 32-bit integers for BLAS/LAPACK [4] 24621 [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] 25173 converting eomccsdt_x2a_all12.F to 32-bit integers for BLAS/LAPACK [2] 25174 converting eomccsdt_x2a_all15.F to 32-bit integers for BLAS/LAPACK [3] 25175 converting eomccsdt_x2a_all18.F to 32-bit integers for BLAS/LAPACK [4] 25176 [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] 25177 converting eomccsdt_x2a_all6.F to 32-bit integers for BLAS/LAPACK [2] 25178 converting eomccsdt_x2a_all9.F to 32-bit integers for BLAS/LAPACK [3] 25179 converting eomccsdt_x2_all12.F to 32-bit integers for BLAS/LAPACK [4] 25180 [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] 25181 converting eomccsdt_x2_all18.F to 32-bit integers for BLAS/LAPACK [2] 25182 converting eomccsdt_x2_all3.F to 32-bit integers for BLAS/LAPACK [3] 25183 converting eomccsdt_x2_all6.F to 32-bit integers for BLAS/LAPACK [4] 25184 [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] 25185 converting eomccsdt_x3a_all12.F to 32-bit integers for BLAS/LAPACK [2] 25186 converting eomccsdt_x3a_all15.F to 32-bit integers for BLAS/LAPACK [3] 25187 converting eomccsdt_x3a_all17.F to 32-bit integers for BLAS/LAPACK [4] 25188 [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] 25189 converting eomccsdt_x3a_all6.F to 32-bit integers for BLAS/LAPACK [2] 25190 converting eomccsdt_x3a_all9.F to 32-bit integers for BLAS/LAPACK [3] 25191 converting eomccsdt_x3_all12.F to 32-bit integers for BLAS/LAPACK [4] 25192 [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] 25193 converting eomccsdt_x3_all17.F to 32-bit integers for BLAS/LAPACK [2] 25194 converting eomccsdt_x3_all3.F to 32-bit integers for BLAS/LAPACK [3] 25195 converting eomccsdt_x3_all6.F to 32-bit integers for BLAS/LAPACK [4] 25196 [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] 25197 converting eomccsdt_y1_all12.F to 32-bit integers for BLAS/LAPACK [2] 25198 converting eomccsdt_y1_all15.F to 32-bit integers for BLAS/LAPACK [3] 25199 converting eomccsdt_y1_all18.F to 32-bit integers for BLAS/LAPACK [4] 25200 [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] 25201 converting eomccsdt_y1_all3.F to 32-bit integers for BLAS/LAPACK [2] 25202 converting eomccsdt_y1_all6.F to 32-bit integers for BLAS/LAPACK [3] 25203 converting eomccsdt_y1_all9.F to 32-bit integers for BLAS/LAPACK [4] 25204 [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] 25205 converting eomccsdt_y2_all15.F to 32-bit integers for BLAS/LAPACK [2] 25206 converting eomccsdt_y2_all18.F to 32-bit integers for BLAS/LAPACK [3] 25207 converting eomccsdt_y2_all21.F to 32-bit integers for BLAS/LAPACK [4] 25208 [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] 25209 converting eomccsdt_y2_all25.F to 32-bit integers for BLAS/LAPACK [2] 25210 converting eomccsdt_y2_all3.F to 32-bit integers for BLAS/LAPACK [3] 25211 converting eomccsdt_y2_all6.F to 32-bit integers for BLAS/LAPACK [4] 25212 [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] 25213 converting eomccsdt_y3.F to 32-bit integers for BLAS/LAPACK [2] 25214 [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] 28079 converting ccsd_t1a.F to 32-bit integers for BLAS/LAPACK [2] 28080 converting ccsd_t2a.F to 32-bit integers for BLAS/LAPACK [3] 28081 converting diag1_act2.F to 32-bit integers for BLAS/LAPACK [4] 28082 [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] 28083 [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] 30945 converting eomccsd_x2a.F to 32-bit integers for BLAS/LAPACK [2] 30946 converting q2na_hc1.F to 32-bit integers for BLAS/LAPACK [3] 30947 [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] 1351 converting q3rexpt2_act.F to 32-bit integers for BLAS/LAPACK [2] 1352 converting cr_ccsd_t_N_act.F to 32-bit integers for BLAS/LAPACK [3] 1353 converting creomccsd_t_n2_act_mem.F to 32-bit integers for BLAS/LAPACK [4] 1354 [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] 1901 converting ccsd_t_d_act.F to 32-bit integers for BLAS/LAPACK [2] 1902 converting cr_eomccsd_t_act.F to 32-bit integers for BLAS/LAPACK [3] 1903 converting cr_eomccsd_tasim.F to 32-bit integers for BLAS/LAPACK [4] 1904 [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] 4793 converting tce_residual_t1.F to 32-bit integers for BLAS/LAPACK [2] 4794 converting tce_residual_t2.F to 32-bit integers for BLAS/LAPACK [3] 4795 converting tce_residual_t3.F to 32-bit integers for BLAS/LAPACK [4] 4796 [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] 4797 converting tce_residual_t3a.F to 32-bit integers for BLAS/LAPACK [2] 4798 converting tce_ao2e.F to 32-bit integers for BLAS/LAPACK [3] 4799 converting tce_mo2e.F to 32-bit integers for BLAS/LAPACK [4] 4800 [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] 4801 converting tce_mod1.F to 32-bit integers for BLAS/LAPACK [2] 4802 converting tce_moq1.F to 32-bit integers for BLAS/LAPACK [3] 4803 converting tce_eom_xdiagon.F to 32-bit integers for BLAS/LAPACK [4] 4804 Could not open file: tce_moq1.F.4803 [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] 4805 converting tce_eom_ydiagon.F to 32-bit integers for BLAS/LAPACK [2] 4806 converting tce_ao1e.F to 32-bit integers for BLAS/LAPACK [3] 4807 converting tce_aod1.F to 32-bit integers for BLAS/LAPACK [4] 4808 [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] 4809 converting tce_mo1e.F to 32-bit integers for BLAS/LAPACK [2] 4810 converting tce_ao_mp1.F to 32-bit integers for BLAS/LAPACK [3] 4811 converting tce_mo_mp1.F to 32-bit integers for BLAS/LAPACK [4] 4812 Could not open file: tce_aoq1.F.4809 Could not open file: tce_mo_mp1.F.4812 Could not open file: tce_ao_mp1.F.4811 [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] 4813 converting tce_mo2e_zones_4a_disk_ga_chop.F to 32-bit integers for BLAS/LAPACK [2] 4814 converting tce_mo2e_zones_4a_disk_4s_new_patch.F to 32-bit integers for BLAS/LAPACK [3] 4815 converting tce_mo2e_zones_4a_disk_2s_new.F to 32-bit integers for BLAS/LAPACK [4] 4816 [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] 4817 converting tce_mo2e_2emet3.F to 32-bit integers for BLAS/LAPACK [2] 4818 converting tce_mo2e_2emet3_n5.F to 32-bit integers for BLAS/LAPACK [3] 4819 converting tce_mo2e_2emet4.F to 32-bit integers for BLAS/LAPACK [4] 4820 [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] 4821 converting tce_mo2e_disk_2eorb.F to 32-bit integers for BLAS/LAPACK [2] 4822 converting tce_mo2e_incore_2eorb.F to 32-bit integers for BLAS/LAPACK [3] 4823 converting tce_mo2e_incore_2eorb_split.F to 32-bit integers for BLAS/LAPACK [4] 4824 [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] 4825 converting tce_diagnose_t1.F to 32-bit integers for BLAS/LAPACK [2] 4826 converting ddotfile.F to 32-bit integers for BLAS/LAPACK [3] 4827 converting tce_ao2e_cholesky.F to 32-bit integers for BLAS/LAPACK [4] 4828 [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] 4829 converting ccsd_imaginary.F to 32-bit integers for BLAS/LAPACK [2] 4830 converting ccsd_lr_alpha.F to 32-bit integers for BLAS/LAPACK [3] 4831 converting tensor_read_write.F to 32-bit integers for BLAS/LAPACK [4] 4832 [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] 4833 converting tce_mo2e_zones_4a_disk_ga_act.F to 32-bit integers for BLAS/LAPACK [2] 4834 converting tce_mo2e_zones_4a_disk_ga_chop_act.F to 32-bit integers for BLAS/LAPACK [3] 4835 converting ccsd_qr_beta.F to 32-bit integers for BLAS/LAPACK [4] 4836 [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] 4837 converting tce_ao2e_cholesky_orb.F to 32-bit integers for BLAS/LAPACK [2] 4838 converting tce_ao2e_disk.F to 32-bit integers for BLAS/LAPACK [3] 4839 converting tce_ao2e_new.F to 32-bit integers for BLAS/LAPACK [4] 4840 [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] 4841 converting tce_mo2e_disk.F to 32-bit integers for BLAS/LAPACK [2] 4842 converting tce_mo2e_new.F to 32-bit integers for BLAS/LAPACK [3] 4843 converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F to 32-bit integers for BLAS/LAPACK [4] 4844 [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] 4845 converting tce_mo2e_zones_4a_disk_ga_chop_N5.F to 32-bit integers for BLAS/LAPACK [2] 4846 converting tce_mod1_new.F to 32-bit integers for BLAS/LAPACK [3] 4847 converting new_ga4ind_N5.F to 32-bit integers for BLAS/LAPACK [4] 4848 [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] 7883 [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] 10755 [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] 19446 [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 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... 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(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' Build was aborted Aborted by tbouvet 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: ABORTED