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Started by user arnoldg Building on master in workspace /var/lib/jenkins/workspace/rmg-spp-newpe executing script: PATH="/sw/tools/bin:/sw/tools/bin:$PATH" HOME="/var/lib/jenkins" set -v # specify installation directory export INSTDIR=/u/system/bwjenkins/rmg-spp #rm -rf $INSTDIR mkdir $INSTDIR # begin newpe testing module unload cce cray-mpich darshan xalt module load cce/8.5.5 module load cray-mpich/7.5.0 # end newpe testing module swap PrgEnv-cray PrgEnv-gnu module swap gcc gcc/4.9.3 module load boost module load cmake module load fftw export CRAYPE_LINK_TYPE=dynamic export CRAY_ADD_RPATH=yes # install openbabel library cd $INSTDIR #wget http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz #tar zxvf openbabel-2.3.2.tar.gz #cd openbabel-2.3.2/ #mkdir build #cd build/ #cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/openbabel-2.3.2/install .. #nice make -j8 #make install #export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$INSTDIR/openbabel-2.3.2/install/lib #export CC=cc #export CXX=CC #export FC=ftn # install plplot library #cd $INSTDIR #git clone git://git.code.sf.net/p/plplot/plplot plplot.git #cd plplot.git/ #mkdir build #cd build #cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/plplot.git/install .. #make #make install # install CPU-version of RMG cd $INSTDIR #wget http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz cp /u/staff/anisimov/scratch/rmg/rmg-code.tgz . tar zxvf rmg-code.tgz cd src cmake . #cd rmg-release_2.1 #mkdir build-cpu; cd build-cpu #cmake -DOPENBABEL_INCLUDES=$INSTDIR/openbabel-2.3.2/install/include/openbabel-2.0 -#DOPENBABEL_LIBRARIES=$INSTDIR/openbabel-2.3.2/install/lib/libopenbabel.so.4.0.2 -#DPLplot_INCLUDE_DIR=$INSTDIR/plplot.git/install/include -#DPLplot_cxx_LIBRARY=$INSTDIR/plplot.git/install/lib/libplplotcxx.so -#DPLplot_LIBRARY=$INSTDIR/plplot.git/install/lib/libplplot.so .. nice make -j12 rmg-cpu rm -rf /u/system/bwjenkins/scratch/rmg-spp mkdir -p /u/system/bwjenkins/scratch/rmg-spp #cp /projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/run.pbs /u/system/bwjenkins/scratch/rmg-spp/run.pbs #cp /projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/302waters.rmg_cpu /u/system/bwjenkins/scratch/rmg-spp/ cp /projects/bluewaters/benchmarking/SPP/rmg/small/* /u/system/bwjenkins/scratch/rmg-spp/ cd /u/system/bwjenkins/scratch/rmg-spp cp /u/system/bwjenkins/rmg-spp/src/rmg-cpu ./ cat run.pbs | sed -e "s/aprun/time aprun/g" > myrun.pbs #cat myrunA.pbs | sed -e "s/OMP_NUM_THREADS=1/OM_NUM_THREADS=1\nexport #LD_LIBRARY_PATH=\$LD_LIBRARY_PATH:\$HOME\/rmg-spp\/openbabel-2.3.2\/install\/lib/g" > myrun.pbs cat -n myrun.pbs MYJOBID=`qsub myrun.pbs` echo MYJOBID=$MYJOBID ~arnoldg/ior/wait_for.sh $MYJOBID tail *.log > ~/rmg-spp/rmg.logtail.txt grep "real" 302waters*.o* MYREALTIME=`egrep "real\s" 302waters*.o* | cut -dl -f2 | cut -dm -f1` echo "YVALUE= $MYREALTIME" > ~/rmg-spp/rmg.realtime cat -n ~/rmg-spp/rmg.realtime # specify installation directory export INSTDIR=/u/system/bwjenkins/rmg-spp #rm -rf $INSTDIR mkdir $INSTDIR mkdir: cannot create directory `/u/system/bwjenkins/rmg-spp': File exists # begin newpe testing module unload cce cray-mpich darshan xalt module load cce/8.5.5 module load cray-mpich/7.5.0 # end newpe testing module swap PrgEnv-cray PrgEnv-gnu ${MODULESHOME}/bin/modulecmd bash $* CRAY_LD_LIBRARY_PATH=/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64:/opt/cray/libsci/16.03.1/CRAY/8.3/x86_64/lib ;export CRAY_LD_LIBRARY_PATH;LD_LIBRARY_PATH=/usr/local/globus-5.2.5/lib64:/opt/torque/6.0.1-end/lib:/usr/local/globus/lib64 ;export LD_LIBRARY_PATH;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:craype-network-gemini:craype/2.5.4:cray-libsci/16.03.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.1:PrgEnv-cray/5.2.82:craype-interlagos:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:scripts:user-paths ;export LOADEDMODULES;MANPATH=/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/man:/opt/cray/man/csmlversion:/opt/cray/craype/2.5.4/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;PATH=/sw/tools/bin:/sw/tools/bin:/sw/admin/scripts:/sw/user/scripts:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.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/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/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 ;export PATH;PE_PKGCONFIG_LIBS=AtpSigHandler:cray-rca:libsci_mpi:libsci ;export PE_PKGCONFIG_LIBS;PE_PKGCONFIG_PRODUCTS=PE_LIBSCI ;export PE_PKGCONFIG_PRODUCTS;PKG_CONFIG_PATH=/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64/pkgconfig:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64/pkgconfig:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64/pkgconfig:/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/lib64/pkgconfig:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64/pkgconfig:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64/pkgconfig:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64/pkgconfig:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64/pkgconfig:/opt/cray/craype/2.5.4/pkg-config:/opt/cray/iobuf/2.0.6/lib/pkgconfig:/opt/cray/atp/2.0.1/lib/pkgconfig ;export PKG_CONFIG_PATH;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.4:/opt/cray/modulefiles/cray-libsci/16.03.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.1:/opt/cray/modulefiles/PrgEnv-cray/5.2.82:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths ;export _LMFILES_;unset ALT_LINKER;unset ASSEMBLER_X86_64;unset CC_X86_64;unset CRAYLIBS_X86_64;unset CRAYLMD_LICENSE_FILE;unset CRAY_BINUTILS_BIN;unset CRAY_BINUTILS_ROOT;unset CRAY_BINUTILS_VERSION;unset CRAY_CC_VERSION;unset CRAY_CXX_IPA_LIBS;unset CRAY_FTN_VERSION;unset CRAY_MPICH2_DIR;unset CRAY_MPICH2_VER;unset CRAY_MPICH_BASEDIR;unset CRAY_MPICH_DIR;unset CRAY_MPICH_ROOTDIR;unset DARSHAN_LOGPATH;unset FORTRAN_SYSTEM_MODULE_NAMES;unset FTN_X86_64;unset GCC_X86_64;unset INCLUDE_PATH_X86_64;unset LINKER_X86_64;unset LMOD_DIR;unset MPICH_DIR;unset NLSPATH;unset PE_CXX_PKGCONFIG_LIBS;unset PE_FORTRAN_PKGCONFIG_LIBS;unset PE_INTEL_FIXED_PKGCONFIG_PATH;unset PE_LEVEL;unset PE_MPICH_CXX_PKGCONFIG_LIBS;unset PE_MPICH_DIR_CRAY_DEFAULT64;unset PE_MPICH_DIR_PGI_DEFAULT64;unset PE_MPICH_FIXED_PRGENV;unset PE_MPICH_FORTRAN_PKGCONFIG_LIBS;unset PE_MPICH_GENCOMPILERS_CRAY;unset PE_MPICH_GENCOMPILERS_GNU;unset PE_MPICH_GENCOMPILERS_PGI;unset PE_MPICH_GENCOMPS_CRAY;unset PE_MPICH_GENCOMPS_GNU;unset PE_MPICH_GENCOMPS_PGI;unset PE_MPICH_MODULE_NAME;unset PE_MPICH_MULTITHREADED_LIBS_multithreaded;unset PE_MPICH_NV_LIBS;unset PE_MPICH_NV_LIBS_nvidia20;unset PE_MPICH_NV_LIBS_nvidia35;unset PE_MPICH_PKGCONFIG_LIBS;unset PE_MPICH_PKGCONFIG_VARIABLES;unset PE_MPICH_TARGET_VAR_nvidia20;unset PE_MPICH_TARGET_VAR_nvidia35;unset PE_MPICH_VOLATILE_PKGCONFIG_PATH;unset PE_MPICH_VOLATILE_PRGENV;unset PYTHONPATH;unset XALT_DIR;unset XALT_ETC_DIR;unset XALT_TRANSMISSION_STYLE; ${MODULESHOME}/bin/modulecmd bash $* ASSEMBLER_AARCH64=/opt/cray/cce/8.5.5/aarch64-binutils/bin/aarch64-linux-gnu-as ;export ASSEMBLER_AARCH64;ASSEMBLER_X86_64=/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin/as ;export ASSEMBLER_X86_64;CC_X86_64=/opt/cray/cce/8.5.5/CC/x86-64 ;export CC_X86_64;CRAYLIBS_AARCH64=/opt/cray/cce/8.5.5/craylibs/aarch64 ;export CRAYLIBS_AARCH64;CRAYLIBS_X86_64=/opt/cray/cce/8.5.5/craylibs/x86-64 ;export CRAYLIBS_X86_64;CRAYLMD_LICENSE_FILE=/opt/cray/cce/cce.lic ;export CRAYLMD_LICENSE_FILE;CRAY_BINUTILS_BIN=/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin ;export CRAY_BINUTILS_BIN;CRAY_BINUTILS_BIN_AARCH64=/opt/cray/cce/8.5.5/aarch64-binutils/aarch64-unknowun-linux-gnu/bin ;export CRAY_BINUTILS_BIN_AARCH64;CRAY_BINUTILS_ROOT=/opt/cray/cce/8.5.5/cray-binutils ;export CRAY_BINUTILS_ROOT;CRAY_BINUTILS_ROOT_AARCH64=/opt/cray/cce/8.5.5/aarch64-binutils ;export CRAY_BINUTILS_ROOT_AARCH64;CRAY_BINUTILS_VERSION=/opt/cray/cce/8.5.5 ;export CRAY_BINUTILS_VERSION;CRAY_CC_VERSION=8.5.5 ;export CRAY_CC_VERSION;CRAY_CXX_IPA_LIBS=/opt/cray/cce/8.5.5/CC/x86-64/lib/x86-64/libcray-c++-rts.a ;export CRAY_CXX_IPA_LIBS;CRAY_CXX_IPA_LIBS_AARCH64=/opt/cray/cce/8.5.5/CC/x86-64/lib/aarch64/libcray-c++-rts.a ;export CRAY_CXX_IPA_LIBS_AARCH64;CRAY_FTN_VERSION=8.5.5 ;export CRAY_FTN_VERSION;CRAY_LD_LIBRARY_PATH=/opt/cray/cce/8.5.5/CC/x86-64/lib/x86-64:/opt/cray/cce/8.5.5/craylibs/x86-64:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64:/opt/cray/libsci/16.03.1/CRAY/8.3/x86_64/lib ;export CRAY_LD_LIBRARY_PATH;FORTRAN_SYSTEM_MODULE_NAMES=ftn_lib_definitions ;export FORTRAN_SYSTEM_MODULE_NAMES;FTN_X86_64=/opt/cray/cce/8.5.5/cftn/x86-64 ;export FTN_X86_64;GCC_AARCH64=/opt/gcc-cross-aarch64/4.8.1/aarch64 ;export GCC_AARCH64;GCC_X86_64=/opt/gcc/4.8.1/snos ;export GCC_X86_64;INCLUDE_PATH_AARCH64=/opt/cray/cce/8.5.5/craylibs/aarch64/include ;export INCLUDE_PATH_AARCH64;INCLUDE_PATH_X86_64=/opt/cray/cce/8.5.5/craylibs/x86-64/include ;export INCLUDE_PATH_X86_64;LINKER_AARCH64=/opt/cray/cce/8.5.5/aarch64-binutils/bin/aarch64-linux-gnu-ld ;export LINKER_AARCH64;LINKER_X86_64=/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin/ld ;export LINKER_X86_64;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:craype-network-gemini:craype/2.5.4:cray-libsci/16.03.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.1:PrgEnv-cray/5.2.82:craype-interlagos:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:scripts:user-paths:cce/8.5.5 ;export LOADEDMODULES;MANPATH=/opt/cray/cce/8.5.5/man:/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/man:/opt/cray/man/csmlversion:/opt/cray/craype/2.5.4/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;NLSPATH=/opt/cray/cce/8.5.5/CC/x86-64/nls/En/%N.cat:/opt/cray/cce/8.5.5/craylibs/x86-64/nls/En/%N.cat:/opt/cray/cce/8.5.5/cftn/x86-64/nls/En/%N.cat ;export NLSPATH;PATH=/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin:/opt/cray/cce/8.5.5/craylibs/x86-64/bin:/opt/cray/cce/8.5.5/cftn/bin:/opt/cray/cce/8.5.5/CC/bin:/sw/tools/bin:/sw/tools/bin:/sw/admin/scripts:/sw/user/scripts:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.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/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/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 ;export PATH;PE_LEVEL=8.5 ;export PE_LEVEL;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.4:/opt/cray/modulefiles/cray-libsci/16.03.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.1:/opt/cray/modulefiles/PrgEnv-cray/5.2.82:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/opt/modulefiles/cce/8.5.5 ;export _LMFILES_; ${MODULESHOME}/bin/modulecmd bash $* CRAY_LD_LIBRARY_PATH=/opt/cray/mpt/7.5.0/gni/mpich-cray/8.4/lib:/opt/cray/cce/8.5.5/CC/x86-64/lib/x86-64:/opt/cray/cce/8.5.5/craylibs/x86-64:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64:/opt/cray/libsci/16.03.1/CRAY/8.3/x86_64/lib ;export CRAY_LD_LIBRARY_PATH;CRAY_MPICH2_DIR=/opt/cray/mpt/7.5.0/gni/mpich-cray/8.4 ;export CRAY_MPICH2_DIR;CRAY_MPICH2_VER=7.5.0 ;export CRAY_MPICH2_VER;CRAY_MPICH_BASEDIR=/opt/cray/mpt/7.5.0/gni ;export CRAY_MPICH_BASEDIR;CRAY_MPICH_DIR=/opt/cray/mpt/7.5.0/gni/mpich-cray/8.4 ;export CRAY_MPICH_DIR;CRAY_MPICH_ROOTDIR=/opt/cray/mpt/7.5.0 ;export CRAY_MPICH_ROOTDIR;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:craype-network-gemini:craype/2.5.4:cray-libsci/16.03.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.1:PrgEnv-cray/5.2.82:craype-interlagos:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:scripts:user-paths:cce/8.5.5:cray-mpich/7.5.0 ;export LOADEDMODULES;MANPATH=/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/cce/8.5.5/man:/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/man:/opt/cray/man/csmlversion:/opt/cray/craype/2.5.4/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;MPICH_DIR=/opt/cray/mpt/7.5.0/gni/mpich-cray/8.4 ;export MPICH_DIR;PATH=/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin:/opt/cray/cce/8.5.5/craylibs/x86-64/bin:/opt/cray/cce/8.5.5/cftn/bin:/opt/cray/cce/8.5.5/CC/bin:/sw/tools/bin:/sw/tools/bin:/sw/admin/scripts:/sw/user/scripts:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.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/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/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 ;export PATH;PE_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_CXX_PKGCONFIG_LIBS;PE_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_FORTRAN_PKGCONFIG_LIBS;PE_INTEL_FIXED_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/mpich-intel/16.0/lib/pkgconfig ;export PE_INTEL_FIXED_PKGCONFIG_PATH;PE_MPICH_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_MPICH_CXX_PKGCONFIG_LIBS;PE_MPICH_DIR_CRAY_DEFAULT64=64 ;export PE_MPICH_DIR_CRAY_DEFAULT64;PE_MPICH_DIR_PGI_DEFAULT64=64 ;export PE_MPICH_DIR_PGI_DEFAULT64;PE_MPICH_FIXED_PRGENV=INTEL ;export PE_MPICH_FIXED_PRGENV;PE_MPICH_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_MPICH_FORTRAN_PKGCONFIG_LIBS;PE_MPICH_GENCOMPILERS_CRAY=8.4 ;export PE_MPICH_GENCOMPILERS_CRAY;PE_MPICH_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_MPICH_GENCOMPILERS_GNU;PE_MPICH_GENCOMPILERS_PGI=15.3 ;export PE_MPICH_GENCOMPILERS_PGI;PE_MPICH_GENCOMPS_CRAY=84 ;export PE_MPICH_GENCOMPS_CRAY;PE_MPICH_GENCOMPS_GNU=51\ 49 ;export PE_MPICH_GENCOMPS_GNU;PE_MPICH_GENCOMPS_PGI=153 ;export PE_MPICH_GENCOMPS_PGI;PE_MPICH_MODULE_NAME=cray-mpich ;export PE_MPICH_MODULE_NAME;PE_MPICH_MULTITHREADED_LIBS_multithreaded=_mt ;export PE_MPICH_MULTITHREADED_LIBS_multithreaded;PE_MPICH_NV_LIBS= ;export PE_MPICH_NV_LIBS;PE_MPICH_NV_LIBS_nvidia20=-lcudart ;export PE_MPICH_NV_LIBS_nvidia20;PE_MPICH_NV_LIBS_nvidia35=-lcudart ;export PE_MPICH_NV_LIBS_nvidia35;PE_MPICH_PKGCONFIG_LIBS=mpich ;export PE_MPICH_PKGCONFIG_LIBS;PE_MPICH_PKGCONFIG_VARIABLES=PE_MPICH_NV_LIBS_@accelerator@:PE_MPICH_MULTITHREADED_LIBS_@multithreaded@ ;export PE_MPICH_PKGCONFIG_VARIABLES;PE_MPICH_TARGET_VAR_nvidia20=-lcudart ;export PE_MPICH_TARGET_VAR_nvidia20;PE_MPICH_TARGET_VAR_nvidia35=-lcudart ;export PE_MPICH_TARGET_VAR_nvidia35;PE_MPICH_VOLATILE_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/mpich-@PRGENV@@PE_MPICH_DIR_DEFAULT64@/@PE_MPICH_GENCOMPS@/lib/pkgconfig ;export PE_MPICH_VOLATILE_PKGCONFIG_PATH;PE_MPICH_VOLATILE_PRGENV=CRAY\ GNU\ PGI ;export PE_MPICH_VOLATILE_PRGENV;PE_PKGCONFIG_LIBS=mpich:AtpSigHandler:cray-rca:libsci_mpi:libsci ;export PE_PKGCONFIG_LIBS;PE_PKGCONFIG_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_PKGCONFIG_PRODUCTS;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.4:/opt/cray/modulefiles/cray-libsci/16.03.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.1:/opt/cray/modulefiles/PrgEnv-cray/5.2.82:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/opt/modulefiles/cce/8.5.5:/opt/cray/modulefiles/cray-mpich/7.5.0 ;export _LMFILES_; ${MODULESHOME}/bin/modulecmd bash $* ATP_HOME=/opt/cray/atp/2.0.1 ;export ATP_HOME;ATP_IGNORE_SIGTERM=1 ;export ATP_IGNORE_SIGTERM;ATP_MRNET_COMM_PATH=/opt/cray/atp/2.0.1/libexec/atp_mrnet_commnode_wrapper ;export ATP_MRNET_COMM_PATH;ATP_POST_LINK_OPTS=-Wl,-L/opt/cray/atp/2.0.1/libApp/\ ;export ATP_POST_LINK_OPTS;CRAYOS_VERSION=5.2.82 ;export CRAYOS_VERSION;CRAYPE_DIR=/opt/cray/craype/2.5.4 ;export CRAYPE_DIR;CRAYPE_NETWORK_TARGET=gemini ;export CRAYPE_NETWORK_TARGET;CRAYPE_VERSION=2.5.4 ;export CRAYPE_VERSION;CRAY_ALPS_INCLUDE_OPTS=-I/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/include ;export CRAY_ALPS_INCLUDE_OPTS;CRAY_ALPS_POST_LINK_OPTS=-L/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64 ;export CRAY_ALPS_POST_LINK_OPTS;CRAY_CPU_TARGET=interlagos ;export CRAY_CPU_TARGET;CRAY_DMAPP_INCLUDE_OPTS=-I/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/include\ -I/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/include\ ;export CRAY_DMAPP_INCLUDE_OPTS;CRAY_DMAPP_POST_LINK_OPTS=-L/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64 ;export CRAY_DMAPP_POST_LINK_OPTS;CRAY_GNI_HEADERS_INCLUDE_OPTS=-I/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/include ;export CRAY_GNI_HEADERS_INCLUDE_OPTS;CRAY_LD_LIBRARY_PATH=/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64:/opt/cray/libsci/16.03.1/GNU/4.9/x86_64/lib:/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib ;export CRAY_LD_LIBRARY_PATH;CRAY_LIBSCI_BASE_DIR=/opt/cray/libsci/16.03.1 ;export CRAY_LIBSCI_BASE_DIR;CRAY_LIBSCI_DIR=/opt/cray/libsci/16.03.1 ;export CRAY_LIBSCI_DIR;CRAY_LIBSCI_PREFIX_DIR=/opt/cray/libsci/16.03.1/GNU/4.9/x86_64 ;export CRAY_LIBSCI_PREFIX_DIR;CRAY_LIBSCI_VERSION=16.03.1 ;export CRAY_LIBSCI_VERSION;CRAY_MPICH2_DIR=/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9 ;export CRAY_MPICH2_DIR;CRAY_MPICH2_VER=7.5.0 ;export CRAY_MPICH2_VER;CRAY_MPICH_BASEDIR=/opt/cray/mpt/7.5.0/gni ;export CRAY_MPICH_BASEDIR;CRAY_MPICH_DIR=/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9 ;export CRAY_MPICH_DIR;CRAY_MPICH_ROOTDIR=/opt/cray/mpt/7.5.0 ;export CRAY_MPICH_ROOTDIR;CRAY_PMI_INCLUDE_OPTS=-I/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/include ;export CRAY_PMI_INCLUDE_OPTS;CRAY_PMI_POST_LINK_OPTS=-L/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64 ;export CRAY_PMI_POST_LINK_OPTS;CRAY_PRE_COMPILE_OPTS=-hnetwork=gemini ;export CRAY_PRE_COMPILE_OPTS;CRAY_PRGENVGNU=loaded ;export CRAY_PRGENVGNU;CRAY_RCA_INCLUDE_OPTS=-I/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/include\ -I/opt/cray/krca/1.0.0-2.0502.63139.4.30.gem/include\ -I/opt/cray-hss-devel/7.2.0/include\ ;export CRAY_RCA_INCLUDE_OPTS;CRAY_RCA_POST_LINK_OPTS=-L/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64\ -lrca\ ;export CRAY_RCA_POST_LINK_OPTS;CRAY_UDREG_INCLUDE_OPTS=-I/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/include ;export CRAY_UDREG_INCLUDE_OPTS;CRAY_UDREG_POST_LINK_OPTS=-L/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64 ;export CRAY_UDREG_POST_LINK_OPTS;CRAY_UGNI_INCLUDE_OPTS=-I/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/include ;export CRAY_UGNI_INCLUDE_OPTS;CRAY_UGNI_POST_LINK_OPTS=-L/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64 ;export CRAY_UGNI_POST_LINK_OPTS;CRAY_XPMEM_INCLUDE_OPTS=-I/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/include ;export CRAY_XPMEM_INCLUDE_OPTS;CRAY_XPMEM_POST_LINK_OPTS=-L/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64 ;export CRAY_XPMEM_POST_LINK_OPTS;DMAPP_ABORT_ON_ERROR=1 ;export DMAPP_ABORT_ON_ERROR;DVS_INCLUDE_OPTS=-I/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/include ;export DVS_INCLUDE_OPTS;DVS_VERSION=0.9.0 ;export DVS_VERSION;GCC_PATH=/opt/gcc/4.9.3 ;export GCC_PATH;GCC_VERSION=4.9.3 ;export GCC_VERSION;GNU_VERSION=4.9.3 ;export GNU_VERSION;INCLUDE_PATH_AARCH64=--PREMARKER-- ;export INCLUDE_PATH_AARCH64;INFOPATH=/opt/gcc/4.9.3/snos/share/info:/usr/local/info:/usr/share/info:/usr/info ;export INFOPATH;LD_LIBRARY_PATH=/opt/gcc/4.9.3/snos/lib64:/usr/local/globus-5.2.5/lib64:/opt/torque/6.0.1-end/lib:/usr/local/globus/lib64 ;export LD_LIBRARY_PATH;LIBSCI_BASE_DIR=/opt/cray/libsci/16.03.1 ;export LIBSCI_BASE_DIR;LIBSCI_VERSION=16.03.1 ;export LIBSCI_VERSION;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:scripts:user-paths:cray-mpich/7.5.0:cray-libsci/16.03.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.1:PrgEnv-gnu/5.2.82 ;export LOADEDMODULES;MANPATH=/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/man:/opt/cray/man/csmlversion:/opt/gcc/4.9.3/snos/share/man:/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/craype/2.5.4/man:/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;MODULEPATH=/sw/EasyBuild/modules/all:/sw/bw/modulefiles:/sw/xe/modulefiles:/usr/local/modulefiles:/opt/cray/gem/modulefiles:/opt/cray/craype/2.5.4/modulefiles:/opt/cray/modulefiles:/opt/modulefiles ;export MODULEPATH;MPICH_ABORT_ON_ERROR=1 ;export MPICH_ABORT_ON_ERROR;MPICH_DIR=/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9 ;export MPICH_DIR;PATH=/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.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/gcc/4.9.3/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/craype/2.5.4/bin:/sw/tools/bin:/sw/tools/bin:/sw/admin/scripts:/sw/user/scripts:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/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 ;export PATH;PE_ACML_DEFAULT_DIR_CRAY=gfortran64 ;export PE_ACML_DEFAULT_DIR_CRAY;PE_ACML_DEFAULT_DIR_DEFAULT64=_int64 ;export PE_ACML_DEFAULT_DIR_DEFAULT64;PE_ACML_DEFAULT_DIR_GNU=gfortran64 ;export PE_ACML_DEFAULT_DIR_GNU;PE_ACML_DEFAULT_DIR_INTEL=ifort64 ;export PE_ACML_DEFAULT_DIR_INTEL;PE_ACML_DEFAULT_DIR_OPENMP=_mp ;export PE_ACML_DEFAULT_DIR_OPENMP;PE_ACML_DEFAULT_DIR_PGI=pgi64 ;export PE_ACML_DEFAULT_DIR_PGI;PE_ACML_DEFAULT_TARGET_interlagos=_fma4 ;export PE_ACML_DEFAULT_TARGET_interlagos;PE_ACML_DEFAULT_TARGET_x86_64= ;export PE_ACML_DEFAULT_TARGET_x86_64;PE_ACML_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/acml/5.3.1/@PE_ACML_DEFAULT_DIR@@PE_ACML_DEFAULT_TARGET@@PE_ACML_DEFAULT_DIR_OPENMP@@PE_ACML_DEFAULT_DIR_DEFAULT64@/lib/pkgconfig ;export PE_ACML_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_CRAY_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/parallel-netcdf/1.7.0/CRAY/8.3/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.4.0/CRAY/8.3/lib/pkgconfig:/opt/cray/netcdf/4.4.0/CRAY/8.3/lib/pkgconfig:/opt/cray/hdf5-parallel/1.8.16/CRAY/8.3/lib/pkgconfig:/opt/cray/hdf5/1.8.16/CRAY/8.3/lib/pkgconfig:/opt/cray/ga/5.3.0.6/CRAY/8.3/lib/pkgconfig ;export PE_CRAY_DEFAULT_FIXED_PKGCONFIG_PATH;PE_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_CXX_PKGCONFIG_LIBS;PE_ENV=GNU ;export PE_ENV;PE_FFTW_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_FFTW_DEFAULT_REQUIRED_PRODUCTS;PE_FFTW_DEFAULT_TARGET_broadwell=broadwell ;export PE_FFTW_DEFAULT_TARGET_broadwell;PE_FFTW_DEFAULT_TARGET_haswell=haswell ;export PE_FFTW_DEFAULT_TARGET_haswell;PE_FFTW_DEFAULT_TARGET_interlagos=interlagos ;export PE_FFTW_DEFAULT_TARGET_interlagos;PE_FFTW_DEFAULT_TARGET_mic_knl=mic_knl ;export PE_FFTW_DEFAULT_TARGET_mic_knl;PE_FFTW_DEFAULT_TARGET_sandybridge=sandybridge ;export PE_FFTW_DEFAULT_TARGET_sandybridge;PE_FFTW_DEFAULT_TARGET_x86_64=x86_64 ;export PE_FFTW_DEFAULT_TARGET_x86_64;PE_FFTW_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/fftw/3.3.4.7/@PE_FFTW_DEFAULT_TARGET@/lib/pkgconfig ;export PE_FFTW_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_FORTRAN_PKGCONFIG_LIBS;PE_GA_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_GA_DEFAULT_FIXED_PRGENV;PE_GA_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_GA_DEFAULT_GENCOMPILERS_GNU;PE_GA_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_GA_DEFAULT_GENCOMPS_GNU;PE_GA_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/ga/5.3.0.6/@PRGENV@/@PE_GA_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_GA_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_GA_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_GA_DEFAULT_VOLATILE_PRGENV;PE_HDF5_DEFAULT_FIXED_PRGENV=CRAY\ PGI ;export PE_HDF5_DEFAULT_FIXED_PRGENV;PE_HDF5_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_HDF5_DEFAULT_GENCOMPILERS_GNU;PE_HDF5_DEFAULT_GENCOMPILERS_INTEL=15.0\ 14.0 ;export PE_HDF5_DEFAULT_GENCOMPILERS_INTEL;PE_HDF5_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_HDF5_DEFAULT_GENCOMPS_GNU;PE_HDF5_DEFAULT_GENCOMPS_INTEL=150\ 140 ;export PE_HDF5_DEFAULT_GENCOMPS_INTEL;PE_HDF5_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_HDF5_DEFAULT_REQUIRED_PRODUCTS;PE_HDF5_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/hdf5/1.8.16/@PRGENV@/@PE_HDF5_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_HDF5_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_HDF5_DEFAULT_VOLATILE_PRGENV=GNU\ INTEL ;export PE_HDF5_DEFAULT_VOLATILE_PRGENV;PE_HDF5_PARALLEL_DEFAULT_FIXED_PRGENV=CRAY\ PGI ;export PE_HDF5_PARALLEL_DEFAULT_FIXED_PRGENV;PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_GNU;PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_INTEL=15.0\ 14.0 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_INTEL;PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_GNU;PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_INTEL=150\ 140 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_INTEL;PE_HDF5_PARALLEL_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_HDF5_PARALLEL_DEFAULT_REQUIRED_PRODUCTS;PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/hdf5-parallel/1.8.16/@PRGENV@/@PE_HDF5_PARALLEL_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PRGENV=GNU\ INTEL ;export PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PRGENV;PE_INTEL_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/mpich-intel/16.0/lib/pkgconfig:/opt/cray/parallel-netcdf/1.7.0/INTEL/15.0/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.4.0/INTEL/15.0/lib/pkgconfig:/opt/cray/netcdf/4.4.0/INTEL/15.0/lib/pkgconfig:/opt/cray/mpt/7.3.3/gni/mpich-intel/15.0/lib/pkgconfig:/opt/cray/ga/5.3.0.6/INTEL/15.0/lib/pkgconfig ;export PE_INTEL_DEFAULT_FIXED_PKGCONFIG_PATH;PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_GNU_x86_64=4.9 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPS_CRAY_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPS_GNU_x86_64=49 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPS_GNU_x86_64;PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia20=nv20 ;export PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia20;PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia35=nv35 ;export PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia35;PE_LIBSCI_ACC_DEFAULT_PKGCONFIG_VARIABLES=PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_@accelerator@ ;export PE_LIBSCI_ACC_DEFAULT_PKGCONFIG_VARIABLES;PE_LIBSCI_ACC_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_LIBSCI_ACC_DEFAULT_REQUIRED_PRODUCTS;PE_LIBSCI_ACC_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci_acc/16.03.1/@PRGENV@/@PE_LIBSCI_ACC_DEFAULT_GENCOMPS@/@PE_LIBSCI_ACC_DEFAULT_TARGET@/lib/pkgconfig ;export PE_LIBSCI_ACC_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_ACC_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU ;export PE_LIBSCI_ACC_DEFAULT_VOLATILE_PRGENV;PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_mic_knl=5.1 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_mic_knl=15.0 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_GNU_mic_knl=51 ;export PE_LIBSCI_DEFAULT_GENCOMPS_GNU_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_LIBSCI_DEFAULT_GENCOMPS_GNU_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_mic_knl=150 ;export PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_LIBSCI_DEFAULT_GENCOMPS_PGI_x86_64;PE_LIBSCI_DEFAULT_OMP_REQUIRES= ;export PE_LIBSCI_DEFAULT_OMP_REQUIRES;PE_LIBSCI_DEFAULT_OMP_REQUIRES_openmp=_mp ;export PE_LIBSCI_DEFAULT_OMP_REQUIRES_openmp;PE_LIBSCI_DEFAULT_PKGCONFIG_VARIABLES=PE_LIBSCI_DEFAULT_OMP_REQUIRES_@openmp@ ;export PE_LIBSCI_DEFAULT_PKGCONFIG_VARIABLES;PE_LIBSCI_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_LIBSCI_DEFAULT_REQUIRED_PRODUCTS;PE_LIBSCI_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci/16.03.1/@PRGENV@/@PE_LIBSCI_DEFAULT_GENCOMPS@/@PE_LIBSCI_DEFAULT_TARGET@/lib/pkgconfig ;export PE_LIBSCI_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU\ INTEL\ PGI ;export PE_LIBSCI_DEFAULT_VOLATILE_PRGENV;PE_LIBSCI_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_LIBSCI_GENCOMPILERS_CRAY_mic_knl;PE_LIBSCI_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_GENCOMPILERS_GNU_mic_knl=5.1 ;export PE_LIBSCI_GENCOMPILERS_GNU_mic_knl;PE_LIBSCI_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_LIBSCI_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_GENCOMPILERS_INTEL_mic_knl=15.0 ;export PE_LIBSCI_GENCOMPILERS_INTEL_mic_knl;PE_LIBSCI_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_LIBSCI_GENCOMPILERS_INTEL_x86_64;PE_LIBSCI_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_LIBSCI_GENCOMPILERS_PGI_x86_64;PE_LIBSCI_GENCOMPS_CRAY_mic_knl=85 ;export PE_LIBSCI_GENCOMPS_CRAY_mic_knl;PE_LIBSCI_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_GENCOMPS_CRAY_x86_64;PE_LIBSCI_GENCOMPS_GNU_mic_knl=51 ;export PE_LIBSCI_GENCOMPS_GNU_mic_knl;PE_LIBSCI_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_LIBSCI_GENCOMPS_GNU_x86_64;PE_LIBSCI_GENCOMPS_INTEL_mic_knl=150 ;export PE_LIBSCI_GENCOMPS_INTEL_mic_knl;PE_LIBSCI_GENCOMPS_INTEL_x86_64=150 ;export PE_LIBSCI_GENCOMPS_INTEL_x86_64;PE_LIBSCI_GENCOMPS_PGI_x86_64=153 ;export PE_LIBSCI_GENCOMPS_PGI_x86_64;PE_LIBSCI_MODULE_NAME=cray-libsci/16.03.1 ;export PE_LIBSCI_MODULE_NAME;PE_LIBSCI_OMP_REQUIRES= ;export PE_LIBSCI_OMP_REQUIRES;PE_LIBSCI_OMP_REQUIRES_openmp=_mp ;export PE_LIBSCI_OMP_REQUIRES_openmp;PE_LIBSCI_PKGCONFIG_LIBS=libsci_mpi:libsci ;export PE_LIBSCI_PKGCONFIG_LIBS;PE_LIBSCI_PKGCONFIG_VARIABLES=PE_LIBSCI_OMP_REQUIRES_@openmp@ ;export PE_LIBSCI_PKGCONFIG_VARIABLES;PE_LIBSCI_REQUIRED_PRODUCTS=PE_MPICH ;export PE_LIBSCI_REQUIRED_PRODUCTS;PE_LIBSCI_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci/16.03.1/@PRGENV@/@PE_LIBSCI_GENCOMPS@/@PE_LIBSCI_TARGET@/lib/pkgconfig ;export PE_LIBSCI_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_VOLATILE_PRGENV=CRAY\ GNU\ INTEL\ PGI ;export PE_LIBSCI_VOLATILE_PRGENV;PE_MPICH_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_MPICH_CXX_PKGCONFIG_LIBS;PE_MPICH_DEFAULT_DIR_CRAY_DEFAULT64=64 ;export PE_MPICH_DEFAULT_DIR_CRAY_DEFAULT64;PE_MPICH_DEFAULT_DIR_PGI_DEFAULT64=64 ;export PE_MPICH_DEFAULT_DIR_PGI_DEFAULT64;PE_MPICH_DEFAULT_FIXED_PRGENV=INTEL ;export PE_MPICH_DEFAULT_FIXED_PRGENV;PE_MPICH_DEFAULT_GENCOMPILERS_CRAY=8.3 ;export PE_MPICH_DEFAULT_GENCOMPILERS_CRAY;PE_MPICH_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_MPICH_DEFAULT_GENCOMPILERS_GNU;PE_MPICH_DEFAULT_GENCOMPILERS_PGI=15.3 ;export PE_MPICH_DEFAULT_GENCOMPILERS_PGI;PE_MPICH_DEFAULT_GENCOMPS_CRAY=83 ;export PE_MPICH_DEFAULT_GENCOMPS_CRAY;PE_MPICH_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_MPICH_DEFAULT_GENCOMPS_GNU;PE_MPICH_DEFAULT_GENCOMPS_PGI=153 ;export PE_MPICH_DEFAULT_GENCOMPS_PGI;PE_MPICH_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/mpt/7.3.3/gni/mpich-@PRGENV@@PE_MPICH_DEFAULT_DIR_DEFAULT64@/@PE_MPICH_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_MPICH_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_MPICH_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU\ PGI ;export PE_MPICH_DEFAULT_VOLATILE_PRGENV;PE_MPICH_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_MPICH_FORTRAN_PKGCONFIG_LIBS;PE_MPICH_MODULE_NAME=cray-mpich ;export PE_MPICH_MODULE_NAME;PE_MPICH_MULTITHREADED_LIBS_multithreaded=_mt ;export PE_MPICH_MULTITHREADED_LIBS_multithreaded;PE_MPICH_NV_LIBS= ;export PE_MPICH_NV_LIBS;PE_MPICH_NV_LIBS_nvidia20=-lcudart ;export PE_MPICH_NV_LIBS_nvidia20;PE_MPICH_NV_LIBS_nvidia35=-lcudart ;export PE_MPICH_NV_LIBS_nvidia35;PE_MPICH_PKGCONFIG_LIBS=mpich ;export PE_MPICH_PKGCONFIG_LIBS;PE_MPICH_PKGCONFIG_VARIABLES=PE_MPICH_NV_LIBS_@accelerator@:PE_MPICH_MULTITHREADED_LIBS_@multithreaded@ ;export PE_MPICH_PKGCONFIG_VARIABLES;PE_MPICH_TARGET_VAR_nvidia20=-lcudart ;export PE_MPICH_TARGET_VAR_nvidia20;PE_MPICH_TARGET_VAR_nvidia35=-lcudart ;export PE_MPICH_TARGET_VAR_nvidia35;PE_NETCDF_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_NETCDF_DEFAULT_FIXED_PRGENV;PE_NETCDF_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_NETCDF_DEFAULT_GENCOMPILERS_GNU;PE_NETCDF_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_NETCDF_DEFAULT_GENCOMPS_GNU;PE_NETCDF_DEFAULT_REQUIRED_PRODUCTS=PE_HDF5 ;export PE_NETCDF_DEFAULT_REQUIRED_PRODUCTS;PE_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/netcdf/4.4.0/@PRGENV@/@PE_NETCDF_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_NETCDF_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_NETCDF_DEFAULT_VOLATILE_PRGENV;PE_NETCDF_HDF5PARALLEL_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_FIXED_PRGENV;PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPILERS_GNU;PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPS_GNU;PE_NETCDF_HDF5PARALLEL_DEFAULT_REQUIRED_PRODUCTS=PE_HDF5_PARALLEL:PE_MPICH ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_REQUIRED_PRODUCTS;PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/netcdf-hdf5parallel/4.4.0/@PRGENV@/@PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PRGENV;PE_PAPI_DEFAULT_ACCEL_LIBS= ;export PE_PAPI_DEFAULT_ACCEL_LIBS;PE_PAPI_DEFAULT_ACCEL_LIBS_nvidia35=,-lcupti,-lcudart,-lcuda ;export PE_PAPI_DEFAULT_ACCEL_LIBS_nvidia35;PE_PAPI_DEFAULT_PKGCONFIG_VARIABLES=PE_PAPI_ACCEL_LIBS_@accelerator@ ;export PE_PAPI_DEFAULT_PKGCONFIG_VARIABLES;PE_PAPI_DEFAULT_TARGET_VAR_nvidia35=,-lcupti,-lcudart,-lcuda ;export PE_PAPI_DEFAULT_TARGET_VAR_nvidia35;PE_PARALLEL_NETCDF_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_PARALLEL_NETCDF_DEFAULT_FIXED_PRGENV;PE_PARALLEL_NETCDF_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_PARALLEL_NETCDF_DEFAULT_GENCOMPILERS_GNU;PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS_GNU;PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/parallel-netcdf/1.7.0/@PRGENV@/@PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PRGENV;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_PETSC_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_haswell;PE_PETSC_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_interlagos;PE_PETSC_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_PETSC_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_x86_64;PE_PETSC_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_haswell;PE_PETSC_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_interlagos;PE_PETSC_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_x86_64;PE_PETSC_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_haswell;PE_PETSC_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_interlagos;PE_PETSC_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_x86_64;PE_PETSC_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_PETSC_DEFAULT_GENCOMPS_PGI_interlagos;PE_PETSC_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_PETSC_DEFAULT_GENCOMPS_PGI_x86_64;PE_PETSC_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI:PE_HDF5_PARALLEL:PE_TPSL ;export PE_PETSC_DEFAULT_REQUIRED_PRODUCTS;PE_PETSC_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/petsc/3.6.3.0/complex/@PRGENV@/@PE_PETSC_DEFAULT_GENCOMPS@/@PE_PETSC_DEFAULT_TARGET@/lib/pkgconfig ;export PE_PETSC_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_PETSC_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_PETSC_DEFAULT_VOLATILE_PRGENV;PE_PGI_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/parallel-netcdf/1.7.0/PGI/15.3/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.4.0/PGI/15.3/lib/pkgconfig:/opt/cray/netcdf/4.4.0/PGI/15.3/lib/pkgconfig:/opt/cray/hdf5-parallel/1.8.16/PGI/15.3/lib/pkgconfig:/opt/cray/hdf5/1.8.16/PGI/15.3/lib/pkgconfig:/opt/cray/ga/5.3.0.6/PGI/15.3/lib/pkgconfig ;export PE_PGI_DEFAULT_FIXED_PKGCONFIG_PATH;PE_PKGCONFIG_DEFAULT_PRODUCTS=PE_TRILINOS:PE_TPSL_64:PE_TPSL:PE_PETSC:PE_PARALLEL_NETCDF:PE_NETCDF_HDF5PARALLEL:PE_NETCDF:PE_MPICH:PE_LIBSCI_ACC:PE_LIBSCI:PE_HDF5_PARALLEL:PE_HDF5:PE_GA:PE_FFTW:PE_ACML ;export PE_PKGCONFIG_DEFAULT_PRODUCTS;PE_PKGCONFIG_LIBS=AtpSigHandler:cray-rca:libsci_mpi:libsci:mpich ;export PE_PKGCONFIG_LIBS;PE_PKGCONFIG_PRODUCTS=PE_LIBSCI:PE_MPICH ;export PE_PKGCONFIG_PRODUCTS;PE_PKGCONFIG_PRODUCTS_DEFAULT=PE_PAPI ;export PE_PKGCONFIG_PRODUCTS_DEFAULT;PE_PKG_CONFIG_PATH=/opt/cray/cti/1.0.4/lib/pkgconfig ;export PE_PKG_CONFIG_PATH;PE_PRODUCT_LIST=CRAY_RCA:CRAY_ALPS:DVS:CRAY_XPMEM:CRAY_DMAPP:CRAY_PMI:CRAY_UGNI:CRAY_UDREG:CRAY_LIBSCI:GNU:GCC:CRAYPE:CRAYPE_INTERLAGOS ;export PE_PRODUCT_LIST;PE_SMA_DEFAULT_COMPFLAG= ;export PE_SMA_DEFAULT_COMPFLAG;PE_SMA_DEFAULT_COMPFLAG_GNU=-fcray-pointer ;export PE_SMA_DEFAULT_COMPFLAG_GNU;PE_SMA_DEFAULT_DIR_CRAY_DEFAULT64=64 ;export PE_SMA_DEFAULT_DIR_CRAY_DEFAULT64;PE_SMA_DEFAULT_DIR_PGI_DEFAULT64=64 ;export PE_SMA_DEFAULT_DIR_PGI_DEFAULT64;PE_SMA_DEFAULT_PKGCONFIG_VARIABLES=PE_SMA_COMPFLAG_@prgenv@ ;export PE_SMA_DEFAULT_PKGCONFIG_VARIABLES;PE_SMA_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/mpt/7.3.3/gni/sma@PE_SMA_DEFAULT_DIR_DEFAULT64@/lib64/pkgconfig ;export PE_SMA_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_haswell;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_haswell;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_haswell;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_haswell;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_TPSL_64_DEFAULT_GENCOMPS_PGI_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_TPSL_64_DEFAULT_GENCOMPS_PGI_x86_64;PE_TPSL_64_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_TPSL_64_DEFAULT_REQUIRED_PRODUCTS;PE_TPSL_64_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/tpsl/16.03.1/@PRGENV@64/@PE_TPSL_64_DEFAULT_GENCOMPS@/@PE_TPSL_64_DEFAULT_TARGET@/lib/pkgconfig ;export PE_TPSL_64_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TPSL_64_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_TPSL_64_DEFAULT_VOLATILE_PRGENV;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_haswell;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_TPSL_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_TPSL_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_haswell;PE_TPSL_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_interlagos;PE_TPSL_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_TPSL_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_TPSL_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TPSL_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_haswell;PE_TPSL_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_interlagos;PE_TPSL_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_sandybridge;PE_TPSL_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_x86_64;PE_TPSL_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_haswell;PE_TPSL_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_interlagos;PE_TPSL_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_TPSL_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_x86_64;PE_TPSL_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_TPSL_DEFAULT_GENCOMPS_PGI_interlagos;PE_TPSL_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_TPSL_DEFAULT_GENCOMPS_PGI_x86_64;PE_TPSL_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_TPSL_DEFAULT_REQUIRED_PRODUCTS;PE_TPSL_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/tpsl/16.03.1/@PRGENV@/@PE_TPSL_DEFAULT_GENCOMPS@/@PE_TPSL_DEFAULT_TARGET@/lib/pkgconfig ;export PE_TPSL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TPSL_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_TPSL_DEFAULT_VOLATILE_PRGENV;PE_TRILINOS_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.4 ;export PE_TRILINOS_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_TRILINOS_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_TRILINOS_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_TRILINOS_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_TRILINOS_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_TRILINOS_DEFAULT_GENCOMPS_CRAY_x86_64=84 ;export PE_TRILINOS_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TRILINOS_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TRILINOS_DEFAULT_GENCOMPS_GNU_x86_64;PE_TRILINOS_DEmodule swap gcc gcc/4.9.3 module load boost module load cmake module load fftw export CRAYPE_LINK_TYPE=dynamic export CRAY_ADD_RPATH=yes # install openbabel library cd $INSTDIR #wget http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz #tar zxvf openbabel-2.3.2.tar.gz #cd openbabel-2.3.2/ #mkdir build #cd build/ #cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/openbabel-2.3.2/install .. #nice make -j8 #make install #export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$INSTDIR/openbabel-2.3.2/install/lib #export CC=cc #export CXX=CC #export FC=ftn # install plplot library #cd $INSTDIR #git clone git://git.code.sf.net/p/plplot/plplot plplot.git #cd plplot.git/ #mkdir build #cd build #cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/plplot.git/install .. #make #make install # install CPU-version of RMG cd $INSTDIR #wget http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz cp /u/staff/anisimov/scratch/rmg/rmg-code.tgz . tar zxvf rmg-code.tgz FAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_TRILINOS_DEFAULT_GENCOMPS_INTEL_x86_64;PE_TRILINOS_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_HDF5_PARALLEL:PE_NETCDF_HDF5PARALLEL:PE_LIBSCI:PE_TPSL ;export PE_TRILINOS_DEFAULT_REQUIRED_PRODUCTS;PE_TRILINOS_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/trilinos/12.2.1.0/@PRGENV@/@PE_TRILINOS_DEFAULT_GENCOMPS@/@PE_TRILINOS_DEFAULT_TARGET@/lib/pkgconfig ;export PE_TRILINOS_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TRILINOS_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU\ INTEL ;export PE_TRILINOS_DEFAULT_VOLATILE_PRGENV;PKGCONFIG_ENABLED=1 ;export PKGCONFIG_ENABLED;PKG_CONFIG_PATH=/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64/pkgconfig:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64/pkgconfig:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64/pkgconfig:/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/lib64/pkgconfig:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64/pkgconfig:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64/pkgconfig:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64/pkgconfig:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64/pkgconfig:/opt/cray/craype/2.5.4/pkg-config:/opt/cray/iobuf/2.0.6/lib/pkgconfig:/opt/cray/atp/2.0.1/lib/pkgconfig ;export PKG_CONFIG_PATH;PKG_CONFIG_PATH_DEFAULT=/opt/cray/papi/5.4.3.1/lib64/pkgconfig ;export PKG_CONFIG_PATH_DEFAULT;SHMEM_ABORT_ON_ERROR=1 ;export SHMEM_ABORT_ON_ERROR;XTOS_VERSION=5.2.82 ;export XTOS_VERSION;XTPE_NETWORK_TARGET=gemini ;export XTPE_NETWORK_TARGET;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/cray/modulefiles/cray-libsci/16.03.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.1:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82 ;export _LMFILES_;unset ASSEMBLER_X86_64;unset CC_X86_64;unset CRAYLIBS_X86_64;unset CRAYLMD_LICENSE_FILE;unset CRAY_BINUTILS_BIN;unset CRAY_BINUTILS_ROOT;unset CRAY_BINUTILS_VERSION;unset CRAY_CC_VERSION;unset CRAY_CXX_IPA_LIBS;unset CRAY_FTN_VERSION;unset CRAY_PE_TARGET;unset CRAY_PRGENVCRAY;unset FORTRAN_SYSTEM_MODULE_NAMES;unset FTN_X86_64;unset GCC_X86_64;unset INCLUDE_PATH_X86_64;unset LINKER_X86_64;unset NLSPATH;unset PE_LEVEL; ${MODULESHOME}/bin/modulecmd bash $* GCC_PATH=/opt/gcc/4.9.3 ;export GCC_PATH;GCC_VERSION=4.9.3 ;export GCC_VERSION;GNU_VERSION=4.9.3 ;export GNU_VERSION;INFOPATH=/opt/gcc/4.9.3/snos/share/info:/usr/local/info:/usr/share/info:/usr/info ;export INFOPATH;LD_LIBRARY_PATH=/opt/gcc/4.9.3/snos/lib64:/usr/local/globus-5.2.5/lib64:/opt/torque/6.0.1-end/lib:/usr/local/globus/lib64 ;export LD_LIBRARY_PATH;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:scripts:user-paths:cray-mpich/7.5.0:cray-libsci/16.03.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.1:PrgEnv-gnu/5.2.82 ;export LOADEDMODULES;MANPATH=/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/man:/opt/cray/man/csmlversion:/opt/gcc/4.9.3/snos/share/man:/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/craype/2.5.4/man:/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;PATH=/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.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/gcc/4.9.3/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/craype/2.5.4/bin:/sw/tools/bin:/sw/tools/bin:/sw/admin/scripts:/sw/user/scripts:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/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 ;export PATH;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/cray/modulefiles/cray-libsci/16.03.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.1:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82 ;export _LMFILES_; ${MODULESHOME}/bin/modulecmd bash $* BOOST_ROOT=/sw/xe/boost/1.53.0/sles11.3_gnu4.8.2 ;export BOOST_ROOT;CRAY_BOOST_DIR=/sw/xe/boost/1.53.0 ;export CRAY_BOOST_DIR;CRAY_BOOST_INCLUDE_OPTS=-I/sw/xe/boost/1.53.0/sles11.3_gnu4.8.2/include ;export CRAY_BOOST_INCLUDE_OPTS;CRAY_BOOST_POST_LINK_OPTS=-L/sw/xe/boost/1.53.0/sles11.3_gnu4.8.2/lib ;export CRAY_BOOST_POST_LINK_OPTS;CRAY_BOOST_VERSION=1.53.0 ;export CRAY_BOOST_VERSION;LD_LIBRARY_PATH=/sw/xe/boost/1.53.0/sles11.3_gnu4.8.2/lib:/opt/gcc/4.9.3/snos/lib64:/usr/local/globus-5.2.5/lib64:/opt/torque/6.0.1-end/lib:/usr/local/globus/lib64 ;export LD_LIBRARY_PATH;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:scripts:user-paths:cray-mpich/7.5.0:cray-libsci/16.03.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.1:PrgEnv-gnu/5.2.82:boost/1.53.0 ;export LOADEDMODULES;PE_PRODUCT_LIST=CRAY_RCA:CRAY_ALPS:DVS:CRAY_XPMEM:CRAY_DMAPP:CRAY_PMI:CRAY_UGNI:CRAY_UDREG:CRAY_LIBSCI:GNU:GCC:CRAYPE:CRAYPE_INTERLAGOS:CRAY_BOOST ;export PE_PRODUCT_LIST;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/cray/modulefiles/cray-libsci/16.03.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.1:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82:/sw/xe/modulefiles/boost/1.53.0 ;export _LMFILES_; ${MODULESHOME}/bin/modulecmd bash $* LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:scripts:user-paths:cray-mpich/7.5.0:cray-libsci/16.03.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.1:PrgEnv-gnu/5.2.82:boost/1.53.0:cmake/3.1.3 ;export LOADEDMODULES;PATH=/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.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/gcc/4.9.3/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/craype/2.5.4/bin:/sw/tools/bin:/sw/tools/bin:/sw/admin/scripts:/sw/user/scripts:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/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 ;export PATH;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/cray/modulefiles/cray-libsci/16.03.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.1:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82:/sw/xe/modulefiles/boost/1.53.0:/sw/xe/modulefiles/cmake/3.1.3 ;export _LMFILES_; ${MODULESHOME}/bin/modulecmd bash $* CRAY_FFTW_VERSION=3.3.4.7 ;export CRAY_FFTW_VERSION;CRAY_LD_LIBRARY_PATH=/opt/cray/fftw/3.3.4.7/interlagos/lib:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64:/opt/cray/libsci/16.03.1/GNU/4.9/x86_64/lib:/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib ;export CRAY_LD_LIBRARY_PATH;FFTW_DIR=/opt/cray/fftw/3.3.4.7/interlagos/lib ;export FFTW_DIR;FFTW_INC=/opt/cray/fftw/3.3.4.7/interlagos/include ;export FFTW_INC;FFTW_VERSION=3.3.4.7 ;export FFTW_VERSION;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:scripts:user-paths:cray-mpich/7.5.0:cray-libsci/16.03.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.1:PrgEnv-gnu/5.2.82:boost/1.53.0:cmake/3.1.3:fftw/3.3.4.7 ;export LOADEDMODULES;MANPATH=/opt/cray/fftw/3.3.4.7/share/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/man:/opt/cray/man/csmlversion:/opt/gcc/4.9.3/snos/share/man:/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/craype/2.5.4/man:/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;PATH=/opt/cray/fftw/3.3.4.7/interlagos/bin:/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.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/gcc/4.9.3/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/craype/2.5.4/bin:/sw/tools/bin:/sw/tools/bin:/sw/admin/scripts:/sw/user/scripts:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/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 ;export PATH;PE_FFTW_REQUIRED_PRODUCTS=PE_MPICH ;export PE_FFTW_REQUIRED_PRODUCTS;PE_FFTW_TARGET_broadwell=broadwell ;export PE_FFTW_TARGET_broadwell;PE_FFTW_TARGET_haswell=haswell ;export PE_FFTW_TARGET_haswell;PE_FFTW_TARGET_interlagos=interlagos ;export PE_FFTW_TARGET_interlagos;PE_FFTW_TARGET_mic_knl=mic_knl ;export PE_FFTW_TARGET_mic_knl;PE_FFTW_TARGET_sandybridge=sandybridge ;export PE_FFTW_TARGET_sandybridge;PE_FFTW_TARGET_x86_64=x86_64 ;export PE_FFTW_TARGET_x86_64;PE_FFTW_VOLATILE_PKGCONFIG_PATH=/opt/cray/fftw/3.3.4.7/@PE_FFTW_TARGET@/lib/pkgconfig ;export PE_FFTW_VOLATILE_PKGCONFIG_PATH;PE_PKGCONFIG_LIBS=fftw3f_mpi:fftw3f_threads:fftw3f:fftw3_mpi:fftw3_threads:fftw3:AtpSigHandler:cray-rca:libsci_mpi:libsci:mpich ;export PE_PKGCONFIG_LIBS;PE_PKGCONFIG_PRODUCTS=PE_FFTW:PE_LIBSCI:PE_MPICH ;export PE_PKGCONFIG_PRODUCTS;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/cray/modulefiles/cray-libsci/16.03.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.1:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82:/sw/xe/modulefiles/boost/1.53.0:/sw/xe/modulefiles/cmake/3.1.3:/opt/cray/modulefiles/fftw/3.3.4.7 ;export _LMFILES_; bin/ bin/rmg-cpu bin/readme.txt bin/rmg-gpu build.env BUILD_INSTRUCTIONS src/ src/XC/ src/XC/cmake_install.cmake src/XC/vdw_correlation.cpp src/XC/erf.f90 src/XC/CMakeLists.txt src/XC/matches.f90 src/XC/Makefile src/XC/constants.f90 src/XC/io_global.f90 src/XC/lsda_functionals.F90 src/XC/vdW_kernel_table src/XC/kind.f90 src/XC/capital.f90 src/XC/metagga.F90 src/XC/expint.f90 src/XC/funct.f90 src/XC/vdw_splines.f90 src/XC/Functional.cpp src/XC/more_functionals.F90 src/XC/CMakeFiles/ src/XC/CMakeFiles/CMakeDirectoryInformation.cmake src/XC/CMakeFiles/XC1.dir/ src/XC/CMakeFiles/XC1.dir/cmake_clean_target.cmake src/XC/CMakeFiles/XC1.dir/funct.f90.o.provides.build src/XC/CMakeFiles/XC1.dir/build.make src/XC/CMakeFiles/XC1.dir/link.txt src/XC/CMakeFiles/XC1.dir/progress.make src/XC/CMakeFiles/XC1.dir/io_global.f90.o.provides.build src/XC/CMakeFiles/XC1.dir/DependInfo.cmake src/XC/CMakeFiles/XC1.dir/cmake_clean_Fortran.cmake src/XC/CMakeFiles/XC1.dir/fortran.internal src/XC/CMakeFiles/XC1.dir/vdw_splines.f90.o.provides.build src/XC/CMakeFiles/XC1.dir/CXX.includecache src/XC/CMakeFiles/XC1.dir/depend.make src/XC/CMakeFiles/XC1.dir/depend.internal src/XC/CMakeFiles/XC1.dir/flags.make src/XC/CMakeFiles/XC1.dir/cmake_clean.cmake src/XC/CMakeFiles/XC1.dir/kind.f90.o.provides.build src/XC/CMakeFiles/XC1.dir/constants.f90.o.provides.build src/XC/CMakeFiles/progress.marks src/XC/functionals.F90 src/cmake_install.cmake src/SubprojectIncludes/ src/SubprojectIncludes/CMakeLists.txt.rmg-tddft.inc src/SubprojectIncludes/CMakeLists.txt.rmg-negf.inc src/SubprojectIncludes/CMakeLists.txt.rmg-on.inc src/SubprojectIncludes/CMakeLists.txt.rmg.inc src/SubprojectIncludes/CMakeLists.txt.on-tddft.inc src/Headers/ src/Headers/Scalapack.h src/Headers/pe_control.h src/Headers/State.h src/Headers/RmgInputFile.h src/Headers/RmgThread.h src/Headers/make_conf.h src/Headers/common_prototypes1.h src/Headers/pack_3d.h src/Headers/Solvers.h src/Headers/cnpy.h src/Headers/my_scalapack.h src/Headers/MapElements.h src/Headers/my_mpi.h src/Headers/remap_3d.h src/Headers/input.h src/Headers/InputKey.h src/Headers/blas.h src/Headers/ErrorFuncs.h src/Headers/RmgException.h src/Headers/typedefs.h src/Headers/RmgParallelFft.h src/Headers/Pw.h src/Headers/vdW.h src/Headers/common_prototypes.h src/Headers/fastonebigheader.h src/Headers/BlasWrappers.h src/Headers/Plots.h src/Headers/macros.h src/Headers/rmg_control.h src/Headers/init_var.h src/Headers/AtomicInterpolate.h src/Headers/GlobalSums.h src/Headers/lbfgs.h src/Headers/species.h src/Headers/Atomic.h src/Headers/svn-commit.tmp src/Headers/rmg_xc.h src/Headers/blacs.h src/Headers/grid.h src/Headers/Subdiag.h src/Headers/rmg_alloc.h src/Headers/portability.h src/Headers/Functional.h src/Headers/BesselRoots.h.sav src/Headers/mg.h src/Headers/RmgShm.h src/Headers/RmgGemm.h src/Headers/CheckValue.h src/Headers/GpuAlloc.h src/Headers/Kpoint.h src/Headers/BesselRoots.h src/Headers/InternalPseudo.h src/Headers/InputOpts.h src/Headers/rmgtypedefs.h src/Headers/main.h src/Headers/const.h src/Headers/rmgthreads.h src/Headers/transition.h src/Headers/svnrev.h src/Headers/params.h src/PlatformChecks/ src/PlatformChecks/README src/PlatformChecks/CheckPlplot.inc src/PlatformChecks/CheckOpenbabel.inc src/PlatformChecks/CheckScalapack.inc src/PlatformChecks/CheckAsyncAllreduce.inc src/RMG/ src/RMG/Headers/ src/RMG/Headers/prototypes.h src/RMG/Make.aix src/RMG/in.sample src/RMG/CMakeLists.txt src/RMG/in.c60 src/RMG/Make.xt src/RMG/SvnRev/ src/RMG/SvnRev/svnrev.c src/RMG/Subdiag/ src/RMG/Subdiag/cmake_install.cmake src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp src/RMG/Subdiag/Subdiag_Magma.cpp src/RMG/Subdiag/Rmg_zhegvd_gpu.cpp src/RMG/Subdiag/CMakeLists.txt src/RMG/Subdiag/Makefile src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp src/RMG/Subdiag/FoldedSpectrumScalapack.cpp src/RMG/Subdiag/FoldedSpectrumGSE.cpp src/RMG/Subdiag/FoldedSpectrumIterator.cpp src/RMG/Subdiag/Subdiag_Scalapack.cpp src/RMG/Subdiag/FoldedSpectrumSetup.cpp src/RMG/Subdiag/ApplyOperators.cpp src/RMG/Subdiag/Rmg_dsygvd_gpu.cpp src/RMG/Subdiag/Subdiag.cpp src/RMG/Subdiag/CMakeFiles/ src/RMG/Subdiag/CMakeFiles/CMakeDirectoryInformation.cmake src/RMG/Subdiag/CMakeFiles/progress.marks src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/ src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/cmake_clean_target.cmake src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumIterator.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/build.make src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/link.txt src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Magma.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/progress.make src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/DependInfo.cmake src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumSetup.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrum.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/ApplyOperators.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Lapack.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Scalapack.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Rmg_zhegvd_gpu.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/CXX.includecache src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumGSE.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/depend.make src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapack.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Rmg_dsygvd_gpu.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/depend.internal src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapackGSE.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/flags.make src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/cmake_clean.cmake src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumOrtho.cpp.rpo src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapackOrtho.cpp.rpo src/RMG/Subdiag/Subdiag_Lapack.cpp src/RMG/Subdiag/FoldedSpectrumOrtho.cpp src/RMG/Subdiag/FoldedSpectrum.cpp src/RMG/Common/ src/RMG/Common/cmake_install.cmake src/RMG/Common/EnergyCorrection.cpp src/RMG/Common/write_pdb.c src/RMG/Common/pack_rho_ctof.c src/RMG/Common/Betaxpsi.cpp src/RMG/Common/init_gpu.c src/RMG/Common/LcaoGetPsi.cpp.new src/RMG/Common/neb_relax.c src/RMG/Common/MgridSubspace.cpp src/RMG/Common/getpoi_bc.c src/RMG/Common/GetNewRho.cpp src/RMG/Common/CMakeLists.txt src/RMG/Common/write_zstates.c src/RMG/Common/test_overlap.c src/RMG/Common/real_min_all.c src/RMG/Common/bsplines.c src/RMG/Common/ReadData.cpp src/RMG/Common/Makefile src/RMG/Common/init_img_topo.c src/RMG/Common/write_force.c src/RMG/Common/ApplyHamiltonian.cpp src/RMG/Common/write_avgv.c src/RMG/Common/WriteBGW_Rhog.cpp src/RMG/Common/fire.c src/RMG/Common/ApplyHamiltonianBlock.cpp src/RMG/Common/PotentialAcceleration.cpp src/RMG/Common/transition_rmg.cpp src/RMG/Common/rmg_lbfgs.c src/RMG/Common/claim_ion.c src/RMG/Common/ReinitIonicPotentials.cpp src/RMG/Common/GetWeightLocal.cpp src/RMG/Common/app_smooth.cpp src/RMG/Common/AssignWeight.cpp src/RMG/Common/PartialGamma.cpp src/RMG/Common/wvfn_residual.c src/RMG/Common/GetPhase.cpp src/RMG/Common/lbfgs.c src/RMG/Common/MolecularDynamics.cpp src/RMG/Common/symmetry.c src/RMG/Common/WriteBGW_Wfng.cpp src/RMG/Common/move_ions.c src/RMG/Common/pulay_rho.c src/RMG/Common/Davidson.cpp src/RMG/Common/AppNls.cpp src/RMG/Common/get_extrapolation_constants.c src/RMG/Common/BandStructure.cpp src/RMG/Common/RmgThread.cpp src/RMG/Common/WriteRestart.cpp src/RMG/Common/write_header.c src/RMG/Common/LcaoGetPsi.cpp src/RMG/Common/svn-commit.tmp src/RMG/Common/nlforce_par_omega.c src/RMG/Common/Kpoint.cpp src/RMG/Common/set_pbc.c src/RMG/Common/DavPreconditioner.cpp src/RMG/Common/mg_prolong_6.c src/RMG/Common/Main.cpp src/RMG/Common/Nlforce.cpp src/RMG/Common/write_avgd.c src/RMG/Common/pack_stop_axpy.cpp src/RMG/Common/GetWeight.cpp src/RMG/Common/MgEigState.cpp src/RMG/Common/rand0.c src/RMG/Common/WriteData.cpp src/RMG/Common/WriteData.cpp.fft src/RMG/Common/CMakeFiles/ src/RMG/Common/CMakeFiles/CMakeDirectoryInformation.cmake src/RMG/Common/CMakeFiles/RMG_Common.dir/ src/RMG/Common/CMakeFiles/RMG_Common.dir/LcaoGetAwave.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/ApplyBOperator.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/cmake_clean_target.cmake src/RMG/Common/CMakeFiles/RMG_Common.dir/LcaoGetPsi.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/PotentialAcceleration.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/Main.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/WriteData.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/GetNewRho.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/Quench.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/build.make src/RMG/Common/CMakeFiles/RMG_Common.dir/link.txt src/RMG/Common/CMakeFiles/RMG_Common.dir/Scf.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/GetDerweight.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/app_smooth.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/ReinitIonicPotentials.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/MixBetaxpsi1.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/betaxpsi1.c.o src/RMG/Common/CMakeFiles/RMG_Common.dir/ApplyAOperator.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/GetNlop.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/AssignDerweight.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/AppCirDriverBeta.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/pack_stop_axpy.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/progress.make src/RMG/Common/CMakeFiles/RMG_Common.dir/AppNls.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/MixRho.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/DependInfo.cmake src/RMG/Common/CMakeFiles/RMG_Common.dir/Nlforce.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/State.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/MgEigState.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/Relax.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/WriteBGW.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/C.includecache src/RMG/Common/CMakeFiles/RMG_Common.dir/BandStructure.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/Kpoint.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/GetWeight.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/Betaxpsi.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/app_smooth1.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/Init.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/CXX.includecache src/RMG/Common/CMakeFiles/RMG_Common.dir/depend.make src/RMG/Common/CMakeFiles/RMG_Common.dir/PartialBetaxpsi.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/WriteRestart.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/depend.internal src/RMG/Common/CMakeFiles/RMG_Common.dir/flags.make src/RMG/Common/CMakeFiles/RMG_Common.dir/cmake_clean.cmake src/RMG/Common/CMakeFiles/RMG_Common.dir/transition_rmg.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/OutputEigenvalues.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/GetGamma.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/PartialGamma.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/AssignWeight.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/genvpsi.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/RmgThread.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/ReadData.cpp.rpo src/RMG/Common/CMakeFiles/RMG_Common.dir/OutputBandPlot.cpp.rpo src/RMG/Common/CMakeFiles/progress.marks src/RMG/Common/Init.cpp src/RMG/Common/app_smooth1.cpp src/RMG/Common/OutputEigenvalues.cpp src/RMG/Common/scalapack_tools.c src/RMG/Common/State.cpp src/RMG/Common/output_wave.c src/RMG/Common/Scf.cpp src/RMG/Common/OutputBandPlot.cpp src/RMG/Common/ranv.c src/RMG/Common/xbsmovie.c src/RMG/Common/debug_write_rho_z.c src/RMG/Common/WriteBGW_VxcEig.cpp src/RMG/Common/GetNlop.cpp src/RMG/Common/partial_beta_fdiff.c src/RMG/Common/write_occ.c src/RMG/Common/GetGamma.cpp src/RMG/Common/genvpsi.cpp src/RMG/Common/nlforce_par_gamma.c src/RMG/Common/Relax.cpp src/RMG/Common/GetAugRho.cpp src/RMG/Common/AppCirDriverBeta.cpp src/RMG/Common/BroydenPotential.cpp src/RMG/Common/LcaoGetAwave.cpp src/RMG/Common/fastrelax.c src/RMG/Common/Quench.cpp src/RMG/Common/lbfgs_init.c src/RMG/Common/print_density_z_direction.c src/RMG/Common/MixRho.cpp src/RMG/Common/LcaoGetWaves.cpp src/RMG/Common/get_pdos.c src/RMG/Common/WriteBGW.cpp src/RMG/Common/nlforce_par_Q.c src/RMG/Common/mulliken.c src/RMG/Spin/ src/RMG/Spin/cmake_install.cmake src/RMG/Spin/get_rho_oppo.c src/RMG/Spin/GetOppositeEigvals.cpp src/RMG/Spin/CMakeLists.txt src/RMG/Spin/Makefile src/RMG/Spin/GetOppositeOccupancies.cpp src/RMG/Spin/CMakeFiles/ src/RMG/Spin/CMakeFiles/CMakeDirectoryInformation.cmake src/RMG/Spin/CMakeFiles/RMG_Spin.dir/ src/RMG/Spin/CMakeFiles/RMG_Spin.dir/cmake_clean_target.cmake 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Making install in kernel make[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/kernel' /bin/sh ../libtool --tag=CC --mode=compile cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT block.lo -MD -MP -MF .deps/block.Tpo -c -o block.lo /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel/block.c libtool: compile: cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math 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-I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT gcells_sendrecv.lo -MD -MP -MF .deps/gcells_sendrecv.Tpo -c -o gcells_sendrecv.lo /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/gcell/gcells_sendrecv.c libtool: compile: cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/gcell -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT gcells_sendrecv.lo -MD -MP -MF .deps/gcells_sendrecv.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/gcell/gcells_sendrecv.c -o gcells_sendrecv.o mv -f .deps/gcells_sendrecv.Tpo .deps/gcells_sendrecv.Plo /bin/sh ../libtool --tag=CC --mode=compile cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/gcell -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT gctimer.lo -MD -MP -MF .deps/gctimer.Tpo -c -o gctimer.lo /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/gcell/gctimer.c libtool: compile: cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/gcell -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT gctimer.lo -MD -MP -MF .deps/gctimer.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/gcell/gctimer.c -o gctimer.o mv -f .deps/gctimer.Tpo .deps/gctimer.Plo /bin/sh ../libtool --tag=CC --mode=link cc -std=gnu99 -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -o libgcell.la gcells_plan.lo gcells_RMA.lo gcells_sendrecv.lo gctimer.lo -lm libtool: link: ar cru .libs/libgcell.a gcells_plan.o gcells_RMA.o gcells_sendrecv.o gctimer.o libtool: link: ranlib .libs/libgcell.a libtool: link: ( cd ".libs" && rm -f "libgcell.la" && ln -s "../libgcell.la" "libgcell.la" ) make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/gcell' make[2]: Nothing to be done for `install-exec-am'. make[2]: Nothing to be done for `install-data-am'. make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/gcell' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/gcell' Making install in util make[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/util' /bin/sh ../libtool --tag=CC --mode=compile cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT util.lo -MD -MP -MF .deps/util.Tpo -c -o util.lo /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util/util.c libtool: compile: cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT util.lo -MD -MP -MF .deps/util.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util/util.c -o util.o mv -f .deps/util.Tpo .deps/util.Plo /bin/sh ../libtool --tag=CC --mode=compile cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT getargs.lo -MD -MP -MF .deps/getargs.Tpo -c -o getargs.lo /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util/getargs.c libtool: compile: cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT getargs.lo -MD -MP -MF .deps/getargs.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util/getargs.c -o getargs.o mv -f .deps/getargs.Tpo .deps/getargs.Plo /bin/sh ../libtool --tag=CC --mode=link cc -std=gnu99 -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -o libutil.la util.lo getargs.lo -lm libtool: link: ar cru .libs/libutil.a util.o getargs.o libtool: link: ranlib .libs/libutil.a libtool: link: ( cd ".libs" && rm -f "libutil.la" && ln -s "../libutil.la" "libutil.la" ) make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/util' make[2]: Nothing to be done for `install-exec-am'. make[2]: Nothing to be done for `install-data-am'. make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/util' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/util' Making install in api make[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/api' /bin/sh ../libtool --tag=CC --mode=compile cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT api-basic.lo -MD -MP -MF .deps/api-basic.Tpo -c -o api-basic.lo /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api/api-basic.c libtool: compile: cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT api-basic.lo -MD -MP -MF .deps/api-basic.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api/api-basic.c -o api-basic.o mv -f .deps/api-basic.Tpo .deps/api-basic.Plo /bin/sh ../libtool --tag=CC --mode=compile cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT api-adv.lo -MD -MP -MF .deps/api-adv.Tpo -c -o api-adv.lo /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api/api-adv.c libtool: compile: cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT api-adv.lo -MD -MP -MF .deps/api-adv.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api/api-adv.c -o api-adv.o mv -f .deps/api-adv.Tpo .deps/api-adv.Plo /bin/sh ../libtool --tag=CC --mode=compile cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT fortran-api.lo -MD -MP -MF .deps/fortran-api.Tpo -c -o fortran-api.lo /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api/fortran-api.c libtool: compile: cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT fortran-api.lo -MD -MP -MF .deps/fortran-api.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api/fortran-api.c -o fortran-api.o mv -f .deps/fortran-api.Tpo .deps/fortran-api.Plo /bin/sh ../libtool --tag=CC --mode=compile cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT f03-wrap.lo -MD -MP -MF .deps/f03-wrap.Tpo -c -o f03-wrap.lo /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api/f03-wrap.c libtool: compile: cc -std=gnu99 -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api -I.. -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/kernel -I/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/util -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -MT f03-wrap.lo -MD -MP -MF .deps/f03-wrap.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api/f03-wrap.c -o f03-wrap.o mv -f .deps/f03-wrap.Tpo .deps/f03-wrap.Plo /bin/sh ../libtool --tag=CC --mode=link cc -std=gnu99 -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -o libapi.la api-basic.lo api-adv.lo fortran-api.lo f03-wrap.lo -lm libtool: link: ar cru .libs/libapi.a api-basic.o api-adv.o fortran-api.o f03-wrap.o libtool: link: ranlib .libs/libapi.a libtool: link: ( cd ".libs" && rm -f "libapi.la" && ln -s "../libapi.la" "libapi.la" ) make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/api' make[2]: Nothing to be done for `install-exec-am'. /bin/mkdir -p '/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/include' /usr/bin/install -c -m 644 /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/api/pfft.h '/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/include' /bin/mkdir -p '/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/include' /usr/bin/install -c -m 644 pfft.f pfft.f03 pfftl.f03 '/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/include' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/api' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/api' Making install in . make[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64' /bin/sh ./libtool --tag=CC --mode=link cc -std=gnu99 -O3 -fomit-frame-pointer -malign-double -fstrict-aliasing -ffast-math -march=native -std=gnu99 -no-undefined -version-info 0:0:0 -o libpfft.la -rpath /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/lib kernel/libkernel.la util/libutil.la api/libapi.la gcell/libgcell.la -lm libtool: link: (cd .libs/libpfft.lax/libkernel.a && ar x "/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/kernel/.libs/libkernel.a") libtool: link: (cd .libs/libpfft.lax/libutil.a && ar x "/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/util/.libs/libutil.a") libtool: link: (cd .libs/libpfft.lax/libapi.a && ar x "/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/api/.libs/libapi.a") libtool: link: (cd .libs/libpfft.lax/libgcell.a && ar x "/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/gcell/.libs/libgcell.a") libtool: link: ar cru .libs/libpfft.a .libs/libpfft.lax/libkernel.a/block.o .libs/libpfft.lax/libkernel.a/check.o .libs/libpfft.lax/libkernel.a/malloc.o .libs/libpfft.lax/libkernel.a/ousample.o .libs/libpfft.lax/libkernel.a/outrafo.o .libs/libpfft.lax/libkernel.a/partrafo-transposed.o .libs/libpfft.lax/libkernel.a/partrafo.o .libs/libpfft.lax/libkernel.a/procmesh.o .libs/libpfft.lax/libkernel.a/remap_3dto2d.o .libs/libpfft.lax/libkernel.a/sertrafo.o .libs/libpfft.lax/libkernel.a/timer.o .libs/libpfft.lax/libkernel.a/transpose.o .libs/libpfft.lax/libutil.a/getargs.o .libs/libpfft.lax/libutil.a/util.o .libs/libpfft.lax/libapi.a/api-adv.o .libs/libpfft.lax/libapi.a/api-basic.o .libs/libpfft.lax/libapi.a/f03-wrap.o .libs/libpfft.lax/libapi.a/fortran-api.o .libs/libpfft.lax/libgcell.a/gcells_RMA.o .libs/libpfft.lax/libgcell.a/gcells_plan.o .libs/libpfft.lax/libgcell.a/gcells_sendrecv.o .libs/libpfft.lax/libgcell.a/gctimer.o libtool: link: ranlib .libs/libpfft.a libtool: link: rm -fr .libs/libpfft.lax libtool: link: ( cd ".libs" && rm -f "libpfft.la" && ln -s "../libpfft.la" "libpfft.la" ) make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64' /bin/mkdir -p '/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/lib' /bin/sh ./libtool --mode=install /usr/bin/install -c libpfft.la '/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/lib' libtool: install: /usr/bin/install -c .libs/libpfft.lai /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/lib/libpfft.la libtool: install: /usr/bin/install -c .libs/libpfft.a /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/lib/libpfft.a libtool: install: chmod 644 /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/lib/libpfft.a libtool: install: ranlib /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/lib/libpfft.a make[2]: Nothing to be done for `install-data-am'. make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64' Making install in tests make[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests' Making install in fortran make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests/fortran' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests/fortran' make[3]: Nothing to be done for `install-exec-am'. make[3]: Nothing to be done for `install-data-am'. make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests/fortran' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests/fortran' Making install in f03 make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests/f03' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests/f03' make[3]: Nothing to be done for `install-exec-am'. make[3]: Nothing to be done for `install-data-am'. make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests/f03' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests/f03' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests' make[3]: Nothing to be done for `install-exec-am'. make[3]: Nothing to be done for `install-data-am'. make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/tests' Making install in doc make[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/doc' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/doc' make[2]: Nothing to be done for `install-exec-am'. make[2]: Nothing to be done for `install-data-am'. make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/doc' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/doc' -- Found PFFT: /u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64/lib/libpfft.a -- Could NOT find LIBSPG (missing: LIBSPG_LIBRARIES) spglib-1.6.3/ spglib-1.6.3/aclocal.m4 spglib-1.6.3/AUTHORS spglib-1.6.3/ChangeLog spglib-1.6.3/compile spglib-1.6.3/config.guess spglib-1.6.3/config.h.in spglib-1.6.3/config.sub spglib-1.6.3/configure spglib-1.6.3/configure.ac spglib-1.6.3/COPYING spglib-1.6.3/depcomp spglib-1.6.3/example/ spglib-1.6.3/INSTALL spglib-1.6.3/install-sh spglib-1.6.3/ltmain.sh spglib-1.6.3/m4/ spglib-1.6.3/Makefile.am spglib-1.6.3/Makefile.in spglib-1.6.3/missing spglib-1.6.3/NEWS spglib-1.6.3/python/ spglib-1.6.3/README spglib-1.6.3/src/ spglib-1.6.3/test/ spglib-1.6.3/test/check_consistency.py spglib-1.6.3/test/data/ spglib-1.6.3/test/extconf.rb spglib-1.6.3/test/getspg.c spglib-1.6.3/test/poscar.rb spglib-1.6.3/test/poscar2findsym.rb spglib-1.6.3/test/README spglib-1.6.3/test/symPoscar.rb spglib-1.6.3/test/data/cubic/ spglib-1.6.3/test/data/hexagonal/ spglib-1.6.3/test/data/monoclinic/ spglib-1.6.3/test/data/orthorhombic/ spglib-1.6.3/test/data/others/ spglib-1.6.3/test/data/test-all.zsh spglib-1.6.3/test/data/test-cubic.zsh spglib-1.6.3/test/data/test-hexa.zsh spglib-1.6.3/test/data/test-monocli.zsh spglib-1.6.3/test/data/test-ortho.zsh spglib-1.6.3/test/data/test-refined_symmetry.zsh spglib-1.6.3/test/data/test-tetra.zsh spglib-1.6.3/test/data/test-tricli.zsh spglib-1.6.3/test/data/test-trigo.zsh spglib-1.6.3/test/data/tetragonal/ spglib-1.6.3/test/data/triclinic/ spglib-1.6.3/test/data/trigonal/ spglib-1.6.3/test/data/virtual_structure/ spglib-1.6.3/test/data/virtual_structure/poscar-221/ spglib-1.6.3/test/data/virtual_structure/poscar-222/ spglib-1.6.3/test/data/virtual_structure/poscar-223/ spglib-1.6.3/test/data/virtual_structure/poscar-224/ spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/ spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/ spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/ spglib-1.6.3/test/data/virtual_structure/poscars-1/ spglib-1.6.3/test/data/virtual_structure/poscars-2/ spglib-1.6.3/test/data/virtual_structure/rhombohedral/ spglib-1.6.3/test/data/virtual_structure/test-virtual.zsh spglib-1.6.3/test/data/virtual_structure/rhombohedral/POSCAR-1 spglib-1.6.3/test/data/virtual_structure/poscars-2/POSCAR-22 spglib-1.6.3/test/data/virtual_structure/poscars-2/POSCAR-26 spglib-1.6.3/test/data/virtual_structure/poscars-2/POSCAR-9 spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-15 spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-16 spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-17 spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-18 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spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-07 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-08 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-09 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-10 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-11 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-12 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-13 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-14 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-15 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-16 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-17 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-18 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-19 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-20 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-21 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-22 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-23 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-24 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-25 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-26 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-27 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-28 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-29 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-30 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-31 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-32 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-33 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-34 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-35 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-36 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-37 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-38 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-39 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-40 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-41 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-42 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-43 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-44 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-45 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-46 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-47 spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-48 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(cached) yes checking for GNU libc compatible malloc... yes checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating Makefile config.status: creating src/Makefile config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands make all-recursive make[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/lib64' Making all in src make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/lib64/src' /bin/sh ../libtool --tag=CC --mode=compile gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT cell.lo -MD -MP -MF .deps/cell.Tpo -c -o cell.lo /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/cell.c libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT cell.lo -MD -MP -MF .deps/cell.Tpo -c 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-I.. -g -O2 -MT sitesym_database.lo -MD -MP -MF .deps/sitesym_database.Tpo -c -o sitesym_database.lo /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/sitesym_database.c libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT sitesym_database.lo -MD -MP -MF .deps/sitesym_database.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/sitesym_database.c -fPIC -DPIC -o .libs/sitesym_database.o libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT sitesym_database.lo -MD -MP -MF .deps/sitesym_database.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/sitesym_database.c -o sitesym_database.o >/dev/null 2>&1 mv -f .deps/sitesym_database.Tpo .deps/sitesym_database.Plo /bin/sh ../libtool --tag=CC --mode=compile gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT spacegroup.lo -MD -MP -MF .deps/spacegroup.Tpo -c -o 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-I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT spg_database.lo -MD -MP -MF .deps/spg_database.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/spg_database.c -fPIC -DPIC -o .libs/spg_database.o libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT spg_database.lo -MD -MP -MF .deps/spg_database.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/spg_database.c -o spg_database.o >/dev/null 2>&1 mv -f .deps/spg_database.Tpo .deps/spg_database.Plo /bin/sh ../libtool --tag=CC --mode=compile gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT spglib.lo -MD -MP -MF .deps/spglib.Tpo -c -o spglib.lo /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/spglib.c libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT spglib.lo -MD -MP -MF .deps/spglib.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/spglib.c -fPIC -DPIC -o .libs/spglib.o libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT spglib.lo -MD -MP -MF .deps/spglib.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/spglib.c -o spglib.o >/dev/null 2>&1 mv -f .deps/spglib.Tpo .deps/spglib.Plo /bin/sh ../libtool --tag=CC --mode=compile gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT spglib_f.lo -MD -MP -MF .deps/spglib_f.Tpo -c -o spglib_f.lo /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/spglib_f.c libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT spglib_f.lo -MD -MP -MF .deps/spglib_f.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/spglib_f.c -fPIC -DPIC -o .libs/spglib_f.o libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT spglib_f.lo -MD -MP -MF .deps/spglib_f.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/spglib_f.c -o spglib_f.o >/dev/null 2>&1 mv -f .deps/spglib_f.Tpo .deps/spglib_f.Plo /bin/sh ../libtool --tag=CC --mode=compile gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT spin.lo -MD -MP -MF .deps/spin.Tpo -c -o spin.lo /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/spin.c libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT spin.lo -MD -MP -MF .deps/spin.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/spin.c -fPIC -DPIC -o .libs/spin.o libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT spin.lo -MD -MP -MF .deps/spin.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/spin.c -o spin.o >/dev/null 2>&1 mv -f .deps/spin.Tpo .deps/spin.Plo /bin/sh ../libtool --tag=CC --mode=compile gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT symmetry.lo -MD -MP -MF .deps/symmetry.Tpo -c -o symmetry.lo /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/symmetry.c libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT symmetry.lo -MD -MP -MF .deps/symmetry.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/symmetry.c -fPIC -DPIC -o .libs/symmetry.o libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT symmetry.lo -MD -MP -MF .deps/symmetry.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/symmetry.c -o symmetry.o >/dev/null 2>&1 mv -f .deps/symmetry.Tpo .deps/symmetry.Plo /bin/sh ../libtool --tag=CC --mode=compile gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT tetrahedron_method.lo -MD -MP -MF .deps/tetrahedron_method.Tpo -c -o tetrahedron_method.lo /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/tetrahedron_method.c libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT tetrahedron_method.lo -MD -MP -MF .deps/tetrahedron_method.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/tetrahedron_method.c -fPIC -DPIC -o .libs/tetrahedron_method.o libtool: compile: gcc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src -I.. -g -O2 -MT tetrahedron_method.lo -MD -MP -MF .deps/tetrahedron_method.Tpo -c /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/src/tetrahedron_method.c -o tetrahedron_method.o >/dev/null 2>&1 mv -f .deps/tetrahedron_method.Tpo .deps/tetrahedron_method.Plo /bin/sh ../libtool --tag=CC --mode=link gcc -g -O2 -o libsymspg.la -rpath /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/lib64 cell.lo debug.lo hall_symbol.lo kpoint.lo lattice.lo mathfunc.lo pointgroup.lo primitive.lo refinement.lo site_symmetry.lo sitesym_database.lo spacegroup.lo spg_database.lo spglib.lo spglib_f.lo spin.lo symmetry.lo tetrahedron_method.lo -lm libtool: link: gcc -shared -fPIC -DPIC .libs/cell.o .libs/debug.o .libs/hall_symbol.o .libs/kpoint.o .libs/lattice.o .libs/mathfunc.o .libs/pointgroup.o .libs/primitive.o .libs/refinement.o .libs/site_symmetry.o .libs/sitesym_database.o .libs/spacegroup.o .libs/spg_database.o .libs/spglib.o .libs/spglib_f.o .libs/spin.o .libs/symmetry.o .libs/tetrahedron_method.o -lm -O2 -Wl,-soname -Wl,libsymspg.so.0 -o .libs/libsymspg.so.0.0.0 libtool: link: (cd ".libs" && rm -f "libsymspg.so.0" && ln -s "libsymspg.so.0.0.0" "libsymspg.so.0") libtool: link: (cd ".libs" && rm -f "libsymspg.so" && ln -s "libsymspg.so.0.0.0" "libsymspg.so") libtool: link: ar cru .libs/libsymspg.a cell.o debug.o hall_symbol.o kpoint.o lattice.o mathfunc.o pointgroup.o primitive.o refinement.o site_symmetry.o sitesym_database.o spacegroup.o spg_database.o spglib.o spglib_f.o spin.o symmetry.o tetrahedron_method.o libtool: link: ranlib .libs/libsymspg.a libtool: link: ( cd ".libs" && rm -f "libsymspg.la" && ln -s "../libsymspg.la" "libsymspg.la" ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/lib64/src' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/lib64' make[2]: Nothing to be done for `all-am'. make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/lib64' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/lib64' -- Found LIBSPG: /u/system/bwjenkins/rmg-spp/src/lib/spglib-1.6.3/lib64/libsymspg.a -- Found Subversion: /usr/bin/svn (found version "1.6.17") CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg.inc:8 (add_dependencies): Policy CMP0046 is not set: Error on non-existent dependency in add_dependencies. Run "cmake --help-policy CMP0046" for policy details. Use the cmake_policy command to set the policy and suppress this warning. The dependency target "libspg" of target "rmg-cpu" does not exist. Call Stack (most recent call first): CMakeLists.txt:696 (include) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg-negf.inc:3 (add_dependencies): Policy CMP0046 is not set: Error on non-existent dependency in add_dependencies. Run "cmake --help-policy CMP0046" for policy details. Use the cmake_policy command to set the policy and suppress this warning. The dependency target "libspg" of target "rmg-negf-cpu" does not exist. Call Stack (most recent call first): CMakeLists.txt:699 (include) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg-negf.inc:1 (add_dependencies): Policy CMP0046 is not set: Error on non-existent dependency in add_dependencies. Run "cmake --help-policy CMP0046" for policy details. Use the cmake_policy command to set the policy and suppress this warning. The dependency target "libxc" of target "rmg-negf-cpu" does not exist. Call Stack (most recent call first): CMakeLists.txt:699 (include) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.on-tddft.inc:3 (add_dependencies): Policy CMP0046 is not set: Error on non-existent dependency in add_dependencies. Run "cmake --help-policy CMP0046" for policy details. Use the cmake_policy command to set the policy and suppress this warning. The dependency target "libspg" of target "on-tddft" does not exist. Call Stack (most recent call first): CMakeLists.txt:700 (include) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.on-tddft.inc:1 (add_dependencies): Policy CMP0046 is not set: Error on non-existent dependency in add_dependencies. Run "cmake --help-policy CMP0046" for policy details. Use the cmake_policy command to set the policy and suppress this warning. The dependency target "libxc" of target "on-tddft" does not exist. Call Stack (most recent call first): CMakeLists.txt:700 (include) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg-tddft.inc:3 (add_dependencies): Policy CMP0046 is not set: Error on non-existent dependency in add_dependencies. Run "cmake --help-policy CMP0046" for policy details. Use the cmake_policy command to set the policy and suppress this warning. The dependency target "libspg" of target "rmg-tddft-cpu" does not exist. Call Stack (most recent call first): CMakeLists.txt:697 (include) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg-tddft.inc:1 (add_dependencies): Policy CMP0046 is not set: Error on non-existent dependency in add_dependencies. Run "cmake --help-policy CMP0046" for policy details. Use the cmake_policy command to set the policy and suppress this warning. The dependency target "libxc" of target "rmg-tddft-cpu" does not exist. Call Stack (most recent call first): CMakeLists.txt:697 (include) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg-on.inc:3 (add_dependencies): Policy CMP0046 is not set: Error on non-existent dependency in add_dependencies. Run "cmake --help-policy CMP0046" for policy details. Use the cmake_policy command to set the policy and suppress this warning. The dependency target "libspg" of target "rmg-on" does not exist. Call Stack (most recent call first): CMakeLists.txt:698 (include) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg-on.inc:1 (add_dependencies): Policy CMP0046 is not set: Error on non-existent dependency in add_dependencies. Run "cmake --help-policy CMP0046" for policy details. Use the cmake_policy command to set the policy and suppress this warning. The dependency target "libxc" of target "rmg-on" does not exist. Call Stack (most recent call first): CMakeLists.txt:698 (include) This warning is for project developers. Use -Wno-dev to suppress it. -- Configuring done #cd rmg-release_2.1 #mkdir build-cpu; cd build-cpu #cmake -DOPENBABEL_INCLUDES=$INSTDIR/openbabel-2.3.2/install/include/openbabel-2.0 -#DOPENBABEL_LIBRARIES=$INSTDIR/openbabel-2.3.2/install/lib/libopenbabel.so.4.0.2 -#DPLplot_INCLUDE_DIR=$INSTDIR/plplot.git/install/include -#DPLplot_cxx_LIBRARY=$INSTDIR/plplot.git/install/lib/libplplotcxx.so -#DPLplot_LIBRARY=$INSTDIR/plplot.git/install/lib/libplplot.so .. nice make -j12 rmg-cpu -- Generating done -- Build files have been written to: /u/system/bwjenkins/rmg-spp/src Scanning dependencies of target InternalPseudo [ 0%] Building CXX object InternalPseudo/CMakeFiles/InternalPseudo.dir/InternalPseudo.cpp.o Scanning dependencies of target XC1 [ 2%] Building Fortran object XC/CMakeFiles/XC1.dir/kind.f90.o [ 2%] Building Fortran object XC/CMakeFiles/XC1.dir/io_global.f90.o Scanning dependencies of target MG [ 2%] Scanning dependencies of target RMG_Spin Building Fortran object XC/CMakeFiles/XC1.dir/constants.f90.o [ 2%] Building CXX object MG/CMakeFiles/MG.dir/Mgrid_Cbindings.cpp.o [ 2%] Building CXX object RMG/Spin/CMakeFiles/RMG_Spin.dir/GetOppositeEigvals.cpp.o [ 2%] Building Fortran object XC/CMakeFiles/XC1.dir/funct.f90.o Scanning dependencies of target Force [ 2%] Building CXX object Force/CMakeFiles/Force.dir/CorrectForces.cpp.o Scanning dependencies of target RmgLib Scanning dependencies of target RMG_Subdiag [ 2%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/TradeImages.cpp.o [ 2%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/ApplyOperators.cpp.o Scanning dependencies of target Input Scanning dependencies of target Finite_diff [ 2%] Building CXX object Input/CMakeFiles/Input.dir/AutoSet.cpp.o [ 2%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/ApplyGradient.cpp.o [ 2%] Building Fortran object XC/CMakeFiles/XC1.dir/vdw_splines.f90.o Scanning dependencies of target US_PP [ 2%] Building Fortran object XC/CMakeFiles/XC1.dir/functionals.F90.o [ 2%] Building CXX object US_PP/CMakeFiles/US_PP.dir/PackGftoc.cpp.o [ 2%] Building CXX object US_PP/CMakeFiles/US_PP.dir/GetPhaseSpecies.cpp.o [ 2%] Building Fortran object XC/CMakeFiles/XC1.dir/lsda_functionals.F90.o [ 2%] Building Fortran object XC/CMakeFiles/XC1.dir/metagga.F90.o Scanning dependencies of target Misc [ 2%] Building Fortran object XC/CMakeFiles/XC1.dir/capital.f90.o [ 4%] Building Fortran object XC/CMakeFiles/XC1.dir/expint.f90.o [ 6%] Building CXX object Misc/CMakeFiles/Misc.dir/IonIonEnergy_Ewald.cpp.o [ 6%] Building Fortran object XC/CMakeFiles/XC1.dir/erf.f90.o [ 6%] Building Fortran object XC/CMakeFiles/XC1.dir/matches.f90.o [ 6%] Building Fortran object XC/CMakeFiles/XC1.dir/more_functionals.F90.o Scanning dependencies of target RMG_Common /u/system/bwjenkins/rmg-spp/src/Force/CorrectForces.cpp: In function 'void CorrectForces(double*, double*, double*, double*, double*)': /u/system/bwjenkins/rmg-spp/src/Force/CorrectForces.cpp:59:45: warning: unused variable 'mone' [-Wunused-variable] double alpha = get_vel_f(), zero = 0.0, mone = -1.0; ^ [ 6%] Building CXX object XC/CMakeFiles/XC1.dir/vdw_correlation.cpp.o [ 6%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetPhase.cpp.o [ 6%] Building C object MG/CMakeFiles/MG.dir/find_grid_owner.c.o [ 6%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitClebschGordan.cpp.o [ 8%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/ApplyLaplacian.cpp.o [ 8%] Building CXX object Force/CMakeFiles/Force.dir/Lforce.cpp.o [ 8%] Building CXX object RMG/Spin/CMakeFiles/RMG_Spin.dir/GetOppositeOccupancies.cpp.o [ 8%] Linking CXX static library libMG.a Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag.cpp.o [ 8%] Built target MG [ 8%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Lapack.cpp.o /u/system/bwjenkins/rmg-spp/src/XC/vdw_correlation.cpp: In constructor 'Vdw::Vdw(BaseGrid&, Lattice&, TradeImages&, int, double*, double*, double&, double&, double*, bool)': /u/system/bwjenkins/rmg-spp/src/XC/vdw_correlation.cpp:194:10: warning: variable 'filter_ratio' set but not used [-Wunused-but-set-variable] double filter_ratio = 1.0; ^ /u/system/bwjenkins/rmg-spp/src/Misc/IonIonEnergy_Ewald.cpp:141:29: warning: 'std::complex<double> structure_factor(double*)' defined but not used [-Wunused-function] static std::complex<double> structure_factor(double *k) ^ [ 8%] Building CXX object Misc/CMakeFiles/Misc.dir/InitPe4image.cpp.o [ 8%] Building CXX object Input/CMakeFiles/Input.dir/SetupGrids.cpp.o /u/system/bwjenkins/rmg-spp/src/XC/vdw_correlation.cpp: In constructor 'Vdw::Vdw(BaseGrid&, Lattice&, TradeImages&, int, double*, double*, double&, double&, double*, bool)': /u/system/bwjenkins/rmg-spp/src/XC/vdw_correlation.cpp:395:59: warning: 'calc_rho' may be used uninitialized in this function [-Wmaybe-uninitialized] GetVtotPsi (calc_rho, total_rho, G.default_FG_RATIO); ^ /u/system/bwjenkins/rmg-spp/src/XC/vdw_correlation.cpp:396:51: warning: 'calc_gx' may be used uninitialized in this function [-Wmaybe-uninitialized] GetVtotPsi (calc_gx, gx, G.default_FG_RATIO); ^ /u/system/bwjenkins/rmg-spp/src/XC/vdw_correlation.cpp:397:51: warning: 'calc_gy' may be used uninitialized in this function [-Wmaybe-uninitialized] GetVtotPsi (calc_gy, gy, G.default_FG_RATIO); ^ /u/system/bwjenkins/rmg-spp/src/XC/vdw_correlation.cpp:398:51: warning: 'calc_gz' may be used uninitialized in this function [-Wmaybe-uninitialized] GetVtotPsi (calc_gz, gz, G.default_FG_RATIO); ^ [ 8%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/EnergyCorrection.cpp.o [ 10%] Building CXX object XC/CMakeFiles/XC1.dir/Functional.cpp.o [ 10%] [ 10%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/ApplyAOperator.cpp.o Building CXX object US_PP/CMakeFiles/US_PP.dir/Ylm.cpp.o [ 10%] Building C object RMG/Spin/CMakeFiles/RMG_Spin.dir/get_rho_oppo.c.o [ 10%] Building C object Force/CMakeFiles/Force.dir/constrain.c.o /u/system/bwjenkins/rmg-spp/src/Force/constrain.c: In function 'constrain': /u/system/bwjenkins/rmg-spp/src/Force/constrain.c:443:51: warning: 'iptr' may be used uninitialized in this function [-Wmaybe-uninitialized] iptr->constraint.forcemask[Y] = (Mag_T - FdotT) * Tau[3*ion+Y]; ^ Linking CXX static library libRMG_Spin.a [ 10%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/ApplyBOperator.cpp.o [ 10%] Built target RMG_Spin [ 10%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/AppCir.cpp.o [ 10%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Magma.cpp.o [ 10%] Building CXX object Force/CMakeFiles/Force.dir/Force.cpp.o [ 10%] Building CXX object Misc/CMakeFiles/Misc.dir/InitPe4kpspin.cpp.o [ 10%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/BroydenPotential.cpp.o [ 12%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/Lattice.cpp.o [ 12%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/BaseThread.cpp.o [ 12%] Building CXX object Input/CMakeFiles/Input.dir/GetPrimeFactors.cpp.o Linking CXX static library libXC1.a [ 12%] Built target XC1 [ 12%] Building CXX object Input/CMakeFiles/Input.dir/ReadForces.cpp.o [ 14%] Building CXX object US_PP/CMakeFiles/US_PP.dir/CubicHarmonic.cpp.o [ 14%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitWeight.cpp.o [ 14%] [ 16%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitWeightOne.cpp.o Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/AppCilrFourth.cpp.o [ 18%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Scalapack.cpp.o /u/system/bwjenkins/rmg-spp/src/RmgLib/src/BaseThread.cpp: In constructor 'BaseThread::BaseThread(int)': /u/system/bwjenkins/rmg-spp/src/RmgLib/src/BaseThread.cpp:67:9: warning: unused variable 'ncpus' [-Wunused-variable] int ncpus; ^ [ 20%] Building CXX object Force/CMakeFiles/Force.dir/IIforce.cpp.o [ 20%] Building CXX object Misc/CMakeFiles/Misc.dir/SharedMemory.cpp.o /u/system/bwjenkins/rmg-spp/src/US_PP/CubicHarmonic.cpp: In function 'double CubicHarmonic(int, int, double*)': /u/system/bwjenkins/rmg-spp/src/US_PP/CubicHarmonic.cpp:21:37: warning: unused variable 'm_spherical' [-Wunused-variable] double xymod, rmod, theta, phi, m_spherical; ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitWeightOne.cpp: In function 'void InitWeightOne(SPECIES*, double (*)[2], std::complex<double>*, int, int, int, fftw_plan, fftw_plan)': /u/system/bwjenkins/rmg-spp/src/US_PP/InitWeightOne.cpp:29:12: warning: unused variable 'r' [-Wunused-variable] double r, ax[3], bx[3]; ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitWeightOne.cpp:29:22: warning: unused variable 'bx' [-Wunused-variable] double r, ax[3], bx[3]; ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitWeightOne.cpp:38:12: warning: unused variable 'xside' [-Wunused-variable] double xside = get_xside(); ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitWeightOne.cpp:39:12: warning: unused variable 'yside' [-Wunused-variable] double yside = get_yside(); ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitWeightOne.cpp:40:12: warning: unused variable 'zside' [-Wunused-variable] double zside = get_zside(); ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp: In instantiation of 'char* Subdiag_Scalapack(Kpoint<StateType>*, KpointType*, KpointType*, KpointType*, double*, KpointType*) [with KpointType = double]': /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp:50:137: required from here /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp:228:23: warning: unused variable 'range' [-Wunused-variable] char *range = "a"; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp:68:18: warning: unused variable 'trans_t' [-Wunused-variable] static char *trans_t = "t"; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp:75:9: warning: variable 'izero' set but not used [-Wunused-but-set-variable] int izero = 0; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp: In instantiation of 'char* Subdiag_Scalapack(Kpoint<StateType>*, KpointType*, KpointType*, KpointType*, double*, KpointType*) [with KpointType = std::complex<double>]': /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp:51:222: required from here /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp:228:23: warning: unused variable 'range' [-Wunused-variable] char *range = "a"; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp:68:18: warning: unused variable 'trans_t' [-Wunused-variable] static char *trans_t = "t"; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp:75:9: warning: variable 'izero' set but not used [-Wunused-but-set-variable] int izero = 0; ^ [ 22%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/DavPreconditioner.cpp.o [ 22%] [ 22%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/BaseGrid.cpp.o Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/Mgrid.cpp.o [ 24%] Building CXX object Input/CMakeFiles/Input.dir/ReadVelocities.cpp.o /u/system/bwjenkins/rmg-spp/src/Input/ReadForces.cpp: In function 'void ReadForces(char*, CONTROL&, std::unordered_map<std::basic_string<char>, InputKey*>&)': /u/system/bwjenkins/rmg-spp/src/Input/ReadForces.cpp:62:22: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(Forces.size() != 4 * lc.num_ions) { ^ [ 24%] Building CXX object Input/CMakeFiles/Input.dir/ReadInit.cpp.o [ 24%] Building CXX object Misc/CMakeFiles/Misc.dir/VhDriver.cpp.o [ 24%] Building CXX object Misc/CMakeFiles/Misc.dir/Pw.cpp.o [ 24%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrum.cpp.o [ 24%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitLocalForward.cpp.o [ 24%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitLocalBackward.cpp.o [ 24%] Building CXX object Force/CMakeFiles/Force.dir/Nlccforce.cpp.o [ 24%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/AppCilrSixth.cpp.o [ 26%] Building CXX object Misc/CMakeFiles/Misc.dir/PfftForward.cpp.o /u/system/bwjenkins/rmg-spp/src/Input/ReadVelocities.cpp: In function 'void ReadVelocities(char*, CONTROL&, std::unordered_map<std::basic_string<char>, InputKey*>&)': /u/system/bwjenkins/rmg-spp/src/Input/ReadVelocities.cpp:62:26: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(Velocities.size() != lc.num_ions) { ^ [ 26%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ApplyHamiltonian.cpp.o /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrum.cpp: In instantiation of 'int FoldedSpectrum(BaseGrid*, int, KpointType*, int, KpointType*, int, double*, double*, int, int*, int, int) [with KpointType = double]': /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrum.cpp:66:125: required from here /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrum.cpp:77:16: warning: unused variable 'ZERO_t' [-Wunused-variable] KpointType ZERO_t(0.0); ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitLocalBackward.cpp: In function 'void InitLocalBackward(double*, double*, double*)': /u/system/bwjenkins/rmg-spp/src/US_PP/InitLocalBackward.cpp:42:15: warning: variable 'Zv' set but not used [-Wunused-but-set-variable] double r, Zv, rc, rc2, rcnorm, t1; ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitLocalBackward.cpp:42:23: warning: variable 'rc2' set but not used [-Wunused-but-set-variable] double r, Zv, rc, rc2, rcnorm, t1; ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitLocalBackward.cpp:43:12: warning: unused variable 'x' [-Wunused-variable] double x[3]; ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitLocalBackward.cpp:45:12: warning: variable 'xside' set but not used [-Wunused-but-set-variable] double xside, yside, zside; ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitLocalBackward.cpp:45:19: warning: variable 'yside' set but not used [-Wunused-but-set-variable] double xside, yside, zside; ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitLocalBackward.cpp:45:26: warning: variable 'zside' set but not used [-Wunused-but-set-variable] double xside, yside, zside; ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitLocalBackward.cpp:53:9: warning: unused variable 'npes' [-Wunused-variable] int npes = get_PE_X() * get_PE_Y() * get_PE_Z(); ^ In file included from /u/system/bwjenkins/rmg-spp/src/US_PP/InitLocalBackward.cpp:21:0: /u/system/bwjenkins/rmg-spp/src/Headers/AtomicInterpolate.h:42:5: warning: 'r' may be used uninitialized in this function [-Wmaybe-uninitialized] if((r < LOGGRID_START)) { ^ /u/system/bwjenkins/rmg-spp/src/US_PP/InitLocalBackward.cpp:42:12: note: 'r' was declared here double r, Zv, rc, rc2, rcnorm, t1; ^ [ 26%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ApplyHamiltonianBlock.cpp.o [ 26%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/Davidson.cpp.o [ 26%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapack.cpp.o Linking CXX static library libForce.a [ 26%] Building CXX object US_PP/CMakeFiles/US_PP.dir/FindFftwPhaseLocalpp.cpp.o [ 26%] Built target Force [ 26%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumIterator.cpp.o [ 26%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumSetup.cpp.o [ 26%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/AppCilrDriver.cpp.o [ 26%] Building CXX object Input/CMakeFiles/Input.dir/ReadRmgAtoms.cpp.o [ 26%] Building CXX object Misc/CMakeFiles/Misc.dir/PfftInverse.cpp.o [ 26%] Building CXX object Misc/CMakeFiles/Misc.dir/GeneralDiag.cpp.o /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp: In instantiation of 'int FoldedSpectrumScalapack(Kpoint<StateType>*, int, KpointType*, KpointType*, int, KpointType*, int, double*, KpointType*, Scalapack*, int, int) [with KpointType = double]': /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:73:150: required from here /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:82:15: warning: unused variable 'RT1' [-Wunused-variable] RmgTimer *RT1, *RT2; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:88:11: warning: unused variable 'trans_t' [-Wunused-variable] char *trans_t="t", *trans_n="n"; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:88:25: warning: unused variable 'trans_n' [-Wunused-variable] char *trans_t="t", *trans_n="n"; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:94:15: warning: unused variable 'Grid' [-Wunused-variable] BaseGrid *Grid = kptr->G; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:95:14: warning: unused variable 'L' [-Wunused-variable] Lattice *L = kptr->L; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:105:9: warning: unused variable 'FSp_my_col' [-Wunused-variable] int FSp_my_col = FSp->GetCol(); ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:111:14: warning: unused variable 'scalapack_comm' [-Wunused-variable] MPI_Comm scalapack_comm = FSp->GetComm(); ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:147:9: warning: unused variable 's_s_dist_length' [-Wunused-variable] int s_s_dist_length = FSp->ComputeDesca(n_win, n_win, s_s_desca); ^ [ 26%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_cir_driver.cpp.o /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumIterator.cpp: In function 'void FoldedSpectrumIterator(double*, int, double*, int, double*, double, int, int)': /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumIterator.cpp:59:9: warning: unused variable 'ione' [-Wunused-variable] int ione = 1; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumIterator.cpp:65:9: warning: unused variable 'sizr' [-Wunused-variable] int sizr = n * k; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumIterator.cpp:68:13: warning: unused variable 'Tgpu' [-Wunused-variable] double *Tgpu = NULL; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumIterator.cpp:69:13: warning: unused variable 'eigs_gpu' [-Wunused-variable] double *eigs_gpu = NULL; ^ Linking CXX static library libInternalPseudo.a [ 26%] Built target InternalPseudo [ 26%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_cil_driver.cpp.o [ 28%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_cil_driver_threaded.cpp.o [ 30%] Building CXX object US_PP/CMakeFiles/US_PP.dir/Radius2grid.cpp.o [ 30%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/MgridSubspace.cpp.o [ 30%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/MolecularDynamics.cpp.o [ 30%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Rmg_dsygvd_gpu.cpp.o /u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp: In function 'int GeneralDiagScaLapack(double*, double*, double*, double*, int, int, int)': /u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp:219:9: warning: unused variable 'scalapack_npes' [-Wunused-variable] int scalapack_npes = scalapack_nprow * scalapack_npcol; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp:220:9: warning: unused variable 'root_npes' [-Wunused-variable] int root_npes = MainSp->GetRootNpes(); ^ /u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp: In instantiation of 'int GeneralDiagLapack(KpointType*, KpointType*, double*, KpointType*, int, int, int) [with KpointType = double]': /u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp:111:107: required from here /u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp:119:10: warning: unused variable 'use_folded' [-Wunused-variable] bool use_folded = ((ct.use_folded_spectrum && (ct.scf_steps > 6)) || (ct.use_folded_spectrum && (ct.runflag == RESTART))); ^ /u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp: In instantiation of 'int GeneralDiagLapack(KpointType*, KpointType*, double*, KpointType*, int, int, int) [with KpointType = std::complex<double>]': /u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp:113:21: required from here /u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp:119:10: warning: unused variable 'use_folded' [-Wunused-variable] [ 32%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Rmg_zhegvd_gpu.cpp.o [ 32%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_beta_fourth.c.o [ 32%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_fcc.c.o [ 32%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_ortho.c.o [ 32%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_grad_driver.cpp.o [ 34%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_bcc.c.o [ 34%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_beta_sixth.c.o [ 34%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_driver.c.o [ 34%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/FiniteDiff_Cbindings.cpp.o [ 34%] Building CXX object Misc/CMakeFiles/Misc.dir/VhPfft.cpp.o [ 34%] Building CXX object Misc/CMakeFiles/Misc.dir/Fft_Cbindings.cpp.o [ 36%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetAugRho.cpp.o [ 36%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/MixRho.cpp.o [ 36%] Building CXX object Input/CMakeFiles/Input.dir/ReadDynamics.cpp.o [ 36%] Building CXX object US_PP/CMakeFiles/US_PP.dir/FindPhase.cpp.o [ 36%] Building CXX object US_PP/CMakeFiles/US_PP.dir/Atomic.cpp.o [ 36%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteData.cpp.o [ 36%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumGSE.cpp.o [ 36%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapackGSE.cpp.o [ 36%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_del2_driver.cpp.o [ 36%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_fcc.cpp.o [ 36%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/FiniteDiff.cpp.o [ 36%] Building CXX object Misc/CMakeFiles/Misc.dir/GetVtotPsi.cpp.o /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumGSE.cpp: In instantiation of 'void FoldedSpectrumGSE(DataType*, DataType*, DataType*, int, int, int, int*, int*, int, int, MPI_Comm&) [with DataType = double; MPI_Comm = int]': /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumGSE.cpp:61:121: required from here /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumGSE.cpp:77:11: warning: unused variable 'trans_t' [-Wunused-variable] char *trans_t = "t"; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumGSE.cpp:78:10: warning: unused variable 'usecuxt' [-Wunused-variable] bool usecuxt = true; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp: In instantiation of 'void FoldedSpectrumScalapackGSE(DataType*, DataType*, DataType*, int, int, int, int*, int*, int, Scalapack*) [with DataType = double]': /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:62:132: required from here /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:81:11: warning: unused variable 'trans_t' [-Wunused-variable] char *trans_t = "t"; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:85:9: warning: unused variable 'THIS_PE' [-Wunused-variable] int THIS_PE = FSp->GetGroupIndex(); ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:86:9: warning: unused variable 'my_root_index' [-Wunused-variable] int my_root_index = MainSp->GetCommRank(); ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:89:10: warning: unused variable 'm_f_desca' [-Wunused-variable] int *m_f_desca = MainSp->GetDistDesca(); ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:90:9: warning: unused variable 'm_f_dist_length' [-Wunused-variable] int m_f_dist_length = MainSp->ComputeMdim(n) * MainSp->ComputeNdim(n); ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:96:9: warning: unused variable 's_f_dist_length' [-Wunused-variable] int s_f_dist_length = FSp->ComputeDesca(n, n, s_f_desca); ^ /u/system/bwjenkins/rmg-spp/src/US_PP/Atomic.cpp: In member function 'void Atomic::InitBessel(double*, int, int, double*)': /u/system/bwjenkins/rmg-spp/src/US_PP/Atomic.cpp:592:9: warning: unused variable 'istep' [-Wunused-variable] int istep; ^ /u/system/bwjenkins/rmg-spp/src/US_PP/Atomic.cpp:594:9: warning: unused variable 'npes' [-Wunused-variable] int npes = Rmg_G->get_PE_X() * Rmg_G->get_PE_Y() * Rmg_G->get_PE_Z(); ^ [ 36%] Building CXX object US_PP/CMakeFiles/US_PP.dir/Atomic_Cbindings.cpp.o [ 36%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitPseudo.cpp.o [ 36%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteBGW_Wfng.cpp.o [ 36%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteBGW_Rhog.cpp.o [ 36%] [ 36%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_bcc.cpp.o Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumOrtho.cpp.o [ 38%] Building CXX object Misc/CMakeFiles/Misc.dir/FftInitPlans.cpp.o [ 38%] Building CXX object Misc/CMakeFiles/Misc.dir/FftFreqBin.cpp.o [ 38%] Building CXX object Input/CMakeFiles/Input.dir/ReadKpoints.cpp.o [ 38%] Building CXX object Input/CMakeFiles/Input.dir/ReadKpointsBandstructure.cpp.o /u/system/bwjenkins/rmg-spp/src/RMG/Common/WriteBGW_Rhog.cpp: In function 'void WriteBGW_Rhog(double*, double*)': /u/system/bwjenkins/rmg-spp/src/RMG/Common/WriteBGW_Rhog.cpp:71:21: warning: variable 'ecutwfc' set but not used [-Wunused-but-set-variable] double ecutrho, ecutwfc, at[9], adot[9], bg[9], bdot[9]; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumOrtho.cpp: In instantiation of 'void FoldedSpectrumOrtho(int, int, int, int*, int*, KpointType*, KpointType*, int, MPI_Comm&) [with KpointType = double; MPI_Comm = int]': /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumOrtho.cpp:57:108: required from here /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumOrtho.cpp:64:12: warning: unused variable 'rzero' [-Wunused-variable] double rzero = 0.0; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumOrtho.cpp:65:12: warning: unused variable 'rone' [-Wunused-variable] double rone = 1.0; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumOrtho.cpp:82:53: warning: unused variable 'side' [-Wunused-variable] char *trans_t="t", *trans_n="n", *cuplo = "l", *side = "l"; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumOrtho.cpp:140:14: warning: variable 'omp_tid' set but not used [-Wunused-but-set-variable] int idx, omp_tid; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumOrtho.cpp:142:13: warning: variable 'st1' set but not used [-Wunused-but-set-variable] int st, st1; ^ [ 40%] Building CXX object Input/CMakeFiles/Input.dir/Verify.cpp.o /u/system/bwjenkins/rmg-spp/src/RMG/Common/WriteBGW_Wfng.cpp: In function 'void WriteBGW_Wfng(int, Kpoint<StateType>*) [with KpointType = std::complex<double>]': /u/system/bwjenkins/rmg-spp/src/RMG/Common/WriteBGW_Wfng.cpp:501:13: warning: 'fhand' may be used uninitialized in this function [-Wmaybe-uninitialized] write(fhand, wfng, sizeof(std::complex<double>) * num_pw_wfc); ^ [ 40%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitQfunct.cpp.o [ 40%] Building CXX object Input/CMakeFiles/Input.dir/InputKey.cpp.o /u/system/bwjenkins/rmg-spp/src/RMG/Common/WriteBGW_Wfng.cpp: In function 'void WriteBGW_Wfng(int, Kpoint<StateType>*) [with KpointType = double]': /u/system/bwjenkins/rmg-spp/src/RMG/Common/WriteBGW_Wfng.cpp:501:13: warning: 'fhand' may be used uninitialized in this function [-Wmaybe-uninitialized] [ 40%] Building CXX object Input/CMakeFiles/Input.dir/CheckValue.cpp.o [ 40%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/RmgTimer.cpp.o [ 42%] [ 42%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_grad.c.o Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/RmgPrintTimings.cpp.o [ 42%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteBGW_VxcEig.cpp.o [ 44%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapackOrtho.cpp.o [ 44%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteRestart.cpp.o [ 44%] Building CXX object Misc/CMakeFiles/Misc.dir/FftFilter.cpp.o [ 44%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app6_del2.c.o Linking CXX static library libFinite_diff.a [ 44%] Built target Finite_diff [ 44%] Building CXX object Misc/CMakeFiles/Misc.dir/FftLaplacian.cpp.o [ 44%] Building CXX object Misc/CMakeFiles/Misc.dir/FftGradient.cpp.o /u/system/bwjenkins/rmg-spp/src/RmgLib/src/RmgPrintTimings.cpp: In function 'void RmgPrintTimings(MPI_Comm, const char*, int, int)': /u/system/bwjenkins/rmg-spp/src/RmgLib/src/RmgPrintTimings.cpp:21:12: warning: unused variable 'time1' [-Wunused-variable] double time1, time2; ^ /u/system/bwjenkins/rmg-spp/src/RmgLib/src/RmgPrintTimings.cpp:21:19: warning: unused variable 'time2' [-Wunused-variable] double time1, time2; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp: In instantiation of 'void FoldedSpectrumScalapackOrtho(int, int, int, int*, int*, KpointType*, KpointType*, KpointType*, KpointType*, KpointType*, Scalapack*) [with KpointType = double]': /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:57:143: required from here /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:65:17: warning: unused variable 'NULLptr' [-Wunused-variable] KpointType *NULLptr = NULL; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:86:53: warning: unused variable 'side' [-Wunused-variable] char *trans_t="t", *trans_n="n", *cuplo = "l", *side = "l"; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:102:9: warning: unused variable 'FSp_nodes' [-Wunused-variable] int FSp_nodes = FSp_rows * FSp_cols; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:103:9: warning: unused variable 'FSp_context' [-Wunused-variable] int FSp_context = FSp->GetContext(); ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:104:9: warning: unused variable 'FSp_my_index' [-Wunused-variable] int FSp_my_index = FSp_my_row*FSp_cols + FSp_my_col; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:166:14: warning: variable 'omp_tid' set but not used [-Wunused-but-set-variable] int idx, omp_tid; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:168:13: warning: variable 'st1' set but not used [-Wunused-but-set-variable] int st, st1; ^ [ 44%] Building CXX object Misc/CMakeFiles/Misc.dir/FftInterpolation.cpp.o [ 44%] Building CXX object Input/CMakeFiles/Input.dir/RmgInputFile.cpp.o [ 46%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitLocalObject.cpp.o [ 46%] Building CXX object US_PP/CMakeFiles/US_PP.dir/US_Cbindings.cpp.o [ 46%] Building CXX object Input/CMakeFiles/Input.dir/ReadCommon.cpp.o [ 46%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/LcaoGetAwave.cpp.o Linking CXX static library libRMG_Subdiag.a [ 46%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/LcaoGetPsi.cpp.o [ 46%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ReadData.cpp.o [ 46%] Built target RMG_Subdiag [ 46%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/OutputBandPlot.cpp.o [ 46%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/AppCirDriverBeta.cpp.o [ 48%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/RmgSumAll.cpp.o /u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp: In instantiation of 'void OutputBandPlot(Kpoint<StateType>**) [with KpointType = double]': /u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp:51:47: required from here /u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp:142:19: warning: unused variable 'line_object' [-Wunused-variable] char *line_object; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp:59:30: warning: unused variable 'pngfile' [-Wunused-variable] char filename[MAX_PATH], pngfile[MAX_PATH]; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp: In instantiation of 'void OutputBandPlot(Kpoint<StateType>**) [with KpointType = std::complex<double>]': /u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp:52:62: required from here /u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp:142:19: warning: unused variable 'line_object' [-Wunused-variable] char *line_object; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp:59:30: warning: unused variable 'pngfile' [-Wunused-variable] char filename[MAX_PATH], pngfile[MAX_PATH]; ^ [ 51%] Building CXX object Misc/CMakeFiles/Misc.dir/FftRestrict.cpp.o [ 51%] Building CXX object Misc/CMakeFiles/Misc.dir/CountAtomicOrbitals.cpp.o [ 51%] Building C object US_PP/CMakeFiles/US_PP.dir/lcao_get_rho.c.o [ 51%] [ 51%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/RmgMaxAll.cpp.o Building C object US_PP/CMakeFiles/US_PP.dir/init_efield.c.o [ 51%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/rmg_error.cpp.o [ 51%] Building C object US_PP/CMakeFiles/US_PP.dir/weight_shift_center.c.o [ 53%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/get_vh.cpp.o [ 53%] Building C object US_PP/CMakeFiles/US_PP.dir/ylmr2.c.o [ 53%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/AssignWeight.cpp.o [ 55%] Building C object US_PP/CMakeFiles/US_PP.dir/linint.c.o [ 55%] Building C object US_PP/CMakeFiles/US_PP.dir/get_QnmL.c.o [ 55%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetWeight.cpp.o [ 55%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetWeightLocal.cpp.o [ 55%] Building C object US_PP/CMakeFiles/US_PP.dir/radiff.c.o [ 55%] Building C object US_PP/CMakeFiles/US_PP.dir/ylm.c.o [ 55%] Building CXX object US_PP/CMakeFiles/US_PP.dir/GetQI.cpp.o [ 55%] Building C object US_PP/CMakeFiles/US_PP.dir/get_qqq.c.o [ 55%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/packfuncs.cpp.o [ 55%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetNlop.cpp.o /u/system/bwjenkins/rmg-spp/src/Input/RmgInputFile.cpp: In member function 'void RmgInputFile::PreprocessInputFile(char*, MPI_Comm)': /u/system/bwjenkins/rmg-spp/src/Input/RmgInputFile.cpp:335:42: warning: 'input_buffer' may be used uninitialized in this function [-Wmaybe-uninitialized] std::string input_string(input_buffer); ^ [ 55%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ReinitIonicPotentials.cpp.o [ 55%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/transition_rmg.cpp.o [ 57%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/PotentialAcceleration.cpp.o [ 57%] Building CXX object Input/CMakeFiles/Input.dir/MapElements.cpp.o [ 57%] Building CXX object Misc/CMakeFiles/Misc.dir/FilenameIncrement.cpp.o [ 57%] Building CXX object Misc/CMakeFiles/Misc.dir/Scalapack.cpp.o /u/system/bwjenkins/rmg-spp/src/Misc/Scalapack.cpp: In constructor 'Scalapack::Scalapack(int, int, int, int, int, int, MPI_Comm)': /u/system/bwjenkins/rmg-spp/src/Misc/Scalapack.cpp:115:9: warning: unused variable 'item' [-Wunused-variable] int item = thisimg % images_per_node; ^ Linking CXX static library libRmgLib.a [ 59%] Building CXX object Input/CMakeFiles/Input.dir/Upf.cpp.o [ 59%] Building CXX object Input/CMakeFiles/Input.dir/ReadPseudo.cpp.o [ 61%] [ 61%] Built target RmgLib Building C object US_PP/CMakeFiles/US_PP.dir/radint1.c.o [ 61%] Building C object US_PP/CMakeFiles/US_PP.dir/get_ddd.c.o [ 61%] /u/system/bwjenkins/rmg-spp/src/RMG/Common/GetNlop.cpp: In function '<built-in>': /u/system/bwjenkins/rmg-spp/src/RMG/Common/GetNlop.cpp:100:9: warning: 'dvec' may be used uninitialized in this function [-Wmaybe-uninitialized] #pragma omp parallel for schedule(static, 1) num_threads(nthreads) ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/GetNlop.cpp:48:17: note: 'dvec' was declared here int *pvec, *dvec=NULL; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/GetNlop.cpp: In function '<built-in>': /u/system/bwjenkins/rmg-spp/src/RMG/Common/GetNlop.cpp:100:9: warning: 'dvec' may be used uninitialized in this function [-Wmaybe-uninitialized] #pragma omp parallel for schedule(static, 1) num_threads(nthreads) ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/GetNlop.cpp:48:17: note: 'dvec' was declared here int *pvec, *dvec=NULL; ^ /u/system/bwjenkins/rmg-spp/src/US_PP/pack_gftoc.c: In function 'pack_gftoc': /u/system/bwjenkins/rmg-spp/src/US_PP/pack_gftoc.c:24:9: warning: variable 'ixstart' set but not used [-Wunused-but-set-variable] int ixstart = -(nlxdim )/2; ^ Building C object US_PP/CMakeFiles/US_PP.dir/radint.c.o [ 61%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetNewRho.cpp.o [ 61%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/Betaxpsi.cpp.o [ 61%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/Init.cpp.o [ 61%] Building C object US_PP/CMakeFiles/US_PP.dir/pack_gftoc.c.o Linking CXX static library libUS_PP.a [ 61%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/Main.cpp.o [ 61%] Built target US_PP [ 61%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/AppNls.cpp.o [ 61%] Building CXX object Input/CMakeFiles/Input.dir/ReadTFAtoms.cpp.o [ 61%] Building C object Misc/CMakeFiles/Misc.dir/open_restart_file.c.o /u/system/bwjenkins/rmg-spp/src/Misc/open_restart_file.c: In function 'open_restart_file': /u/system/bwjenkins/rmg-spp/src/Misc/open_restart_file.c:67:5: warning: suggest explicit braces to avoid ambiguous 'else' [-Wparentheses] if (!mkdir (dirname (tmpname), S_IRWXU)) ^ [ 63%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/Kpoint.cpp.o [ 63%] Building CXX object Misc/CMakeFiles/Misc.dir/cnpy.cpp.o [ 63%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/State.cpp.o [ 63%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/Quench.cpp.o [ 65%] Building CXX object Misc/CMakeFiles/Misc.dir/LinePlot.cpp.o [ 65%] Building C object Misc/CMakeFiles/Misc.dir/prime_factors.c.o [ 65%] Building CXX object Misc/CMakeFiles/Misc.dir/InitIo.cpp.o [ 65%] Building CXX object Misc/CMakeFiles/Misc.dir/Output_rho_xsf.cpp.o [ 65%] Building CXX object Misc/CMakeFiles/Misc.dir/InitHybridModel.cpp.o [ 65%] Building CXX object Misc/CMakeFiles/Misc.dir/Fill.cpp.o [ 67%] Building CXX object Misc/CMakeFiles/Misc.dir/GetTe.cpp.o /u/system/bwjenkins/rmg-spp/src/Misc/init_kpoints.c: In function 'init_kpoints': /u/system/bwjenkins/rmg-spp/src/Misc/init_kpoints.c:110:31: warning: passing argument 6 of 'spg_get_ir_reciprocal_mesh' from incompatible pointer type is_time_reversal, lattice, tau, ityp, ct.num_ions, symprec); ^ /u/system/bwjenkins/rmg-spp/src/Misc/init_kpoints.c:41:5: note: expected 'const double (*)[3]' but argument is of type 'double (*)[3]' int spg_get_ir_reciprocal_mesh(int *grid_address, ^ [ 67%] Building C object Misc/CMakeFiles/Misc.dir/init_kpoints.c.o [ 67%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/Relax.cpp.o [ 67%] Building CXX object Misc/CMakeFiles/Misc.dir/RmgCudaError.cpp.o /u/system/bwjenkins/rmg-spp/src/Misc/InitIo.cpp: In function 'void InitIo(int, char**, std::unordered_map<std::basic_string<char>, InputKey*>&)': /u/system/bwjenkins/rmg-spp/src/Misc/InitIo.cpp:96:12: warning: variable 'timer' set but not used [-Wunused-but-set-variable] time_t timer; ^ [ 67%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/RmgThread.cpp.o [ 67%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/OutputEigenvalues.cpp.o /u/system/bwjenkins/rmg-spp/src/Misc/Output_rho_xsf.cpp: In function 'void Output_rho_xsf(double*, MPI_Comm)': /u/system/bwjenkins/rmg-spp/src/Misc/Output_rho_xsf.cpp:193:43: warning: narrowing conversion of 'sizes[0]' from 'int' to 'const unsigned int' inside { } [-Wnarrowing] const unsigned int shape1[] = {sizes[0], sizes[1], sizes[2]}; ^ /u/system/bwjenkins/rmg-spp/src/Misc/Output_rho_xsf.cpp:193:53: warning: narrowing conversion of 'sizes[1]' from 'int' to 'const unsigned int' inside { } [-Wnarrowing] const unsigned int shape1[] = {sizes[0], sizes[1], sizes[2]}; ^ /u/system/bwjenkins/rmg-spp/src/Misc/Output_rho_xsf.cpp:193:63: warning: narrowing conversion of 'sizes[2]' from 'int' to 'const unsigned int' inside { } [-Wnarrowing] const unsigned int shape1[] = {sizes[0], sizes[1], sizes[2]}; ^ In file included from /u/system/bwjenkins/rmg-spp/src/Misc/Output_rho_xsf.cpp:10:0: /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h: In instantiation of 'void cnpy::npz_save(std::string, std::string, const T*, const unsigned int*, unsigned int, std::string) [with T = double; std::string = std::basic_string<char>]': /u/system/bwjenkins/rmg-spp/src/Misc/Output_rho_xsf.cpp:176:56: required from here /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h:151:24: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for (int m=0; m<ndims; m++ ) nels *= shape[m]; ^ /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h: In instantiation of 'std::vector<char> cnpy::create_npy_header(const T*, const unsigned int*, unsigned int) [with T = double]': /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h:148:74: required from 'void cnpy::npz_save(std::string, std::string, const T*, const unsigned int*, unsigned int, std::string) [with T = double; std::string = std::basic_string<char>]' /u/system/bwjenkins/rmg-spp/src/Misc/Output_rho_xsf.cpp:176:56: required from here /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h:216:25: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(int i = 1;i < ndims;i++) { ^ /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h: In instantiation of 'std::vector<char>& cnpy::operator+=(std::vector<char>&, T) [with T = short unsigned int]': /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h:161:22: required from 'void cnpy::npz_save(std::string, std::string, const T*, const unsigned int*, unsigned int, std::string) [with T = double; std::string = std::basic_string<char>]' /u/system/bwjenkins/rmg-spp/src/Misc/Output_rho_xsf.cpp:176:56: required from here /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h:49:33: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(char byte = 0; byte < sizeof(T); byte++) { ^ /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h: In instantiation of 'std::vector<char>& cnpy::operator+=(std::vector<char>&, T) [with T = unsigned int]': /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h:167:22: required from 'void cnpy::npz_save(std::string, std::string, const T*, const unsigned int*, unsigned int, std::string) [with T = double; std::string = std::basic_string<char>]' /u/system/bwjenkins/rmg-spp/src/Misc/Output_rho_xsf.cpp:176:56: required from here /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h:49:33: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h: In instantiation of 'std::vector<char>& cnpy::operator+=(std::vector<char>&, T) [with T = char]': /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h:211:14: required from 'std::vector<char> cnpy::create_npy_header(const T*, const unsigned int*, unsigned int) [with T = double]' /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h:148:74: required from 'void cnpy::npz_save(std::string, std::string, const T*, const unsigned int*, unsigned int, std::string) [with T = double; std::string = std::basic_string<char>]' /u/system/bwjenkins/rmg-spp/src/Misc/Output_rho_xsf.cpp:176:56: required from here /u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h:49:33: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] [ 67%] Building CXX object Misc/CMakeFiles/Misc.dir/RmgGemm.cpp.o [ 67%] Building CXX object Misc/CMakeFiles/Misc.dir/RmgSymm.cpp.o [ 69%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/Scf.cpp.o /u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp: In function 'double occ_allstates(double, double*, double*, double, double, int, double*, int, int)': /u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp:232:16: warning: unused variable 't2' [-Wunused-variable] double t1, t2, sumf, eig, fac = (2.0 - ct.spin_flag); ^ /u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp: In instantiation of 'double Fill(Kpoint<StateType>**, double, double, double, int, int, int) [with KpointType = double]': /u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp:65:79: required from here /u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp:76:24: warning: unused variable 'kpt' [-Wunused-variable] int iter, st, st1, kpt, idx, nks, nspin = (ct.spin_flag + 1); ^ /u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp:78:40: warning: unused variable 'eig' [-Wunused-variable] double mu, dmu, mu1, mu2, f, fmid, eig; ^ /u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp: In instantiation of 'double Fill(Kpoint<StateType>**, double, double, double, int, int, int) [with KpointType = std::complex<double>]': /u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp:66:94: required from here /u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp:76:24: warning: unused variable 'kpt' [-Wunused-variable] int iter, st, st1, kpt, idx, nks, nspin = (ct.spin_flag + 1); ^ /u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp:78:40: warning: unused variable 'eig' [-Wunused-variable] double mu, dmu, mu1, mu2, f, fmid, eig; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp: In instantiation of 'void GetTe(double*, double*, double*, double*, double*, double*, Kpoint<StateType>**, int) [with KpointType = double]': /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:74:104: required from here /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:80:26: warning: unused variable 'i' [-Wunused-variable] int state, kpt, idx, i, j, nspin = (ct.spin_flag + 1), FP0_BASIS; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:80:29: warning: unused variable 'j' [-Wunused-variable] int state, kpt, idx, i, j, nspin = (ct.spin_flag + 1), FP0_BASIS; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:81:12: warning: unused variable 'r' [-Wunused-variable] double r, esum[3], t1, eigsum, xcstate, xtal_r[3], mag, absmag = 0.0; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:81:45: warning: unused variable 'xtal_r' [-Wunused-variable] double r, esum[3], t1, eigsum, xcstate, xtal_r[3], mag, absmag = 0.0; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:82:17: warning: unused variable 'loc_sum' [-Wunused-variable] double vel, loc_sum; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:84:10: warning: unused variable 'iptr1' [-Wunused-variable] ION *iptr1, *iptr2; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:84:18: warning: unused variable 'iptr2' [-Wunused-variable] ION *iptr1, *iptr2; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp: In instantiation of 'void GetTe(double*, double*, double*, double*, double*, double*, Kpoint<StateType>**, int) [with KpointType = std::complex<double>]': /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:75:119: required from here /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:80:26: warning: unused variable 'i' [-Wunused-variable] int state, kpt, idx, i, j, nspin = (ct.spin_flag + 1), FP0_BASIS; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:80:29: warning: unused variable 'j' [-Wunused-variable] int state, kpt, idx, i, j, nspin = (ct.spin_flag + 1), FP0_BASIS; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:81:12: warning: unused variable 'r' [-Wunused-variable] double r, esum[3], t1, eigsum, xcstate, xtal_r[3], mag, absmag = 0.0; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:81:45: warning: unused variable 'xtal_r' [-Wunused-variable] double r, esum[3], t1, eigsum, xcstate, xtal_r[3], mag, absmag = 0.0; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:82:17: warning: unused variable 'loc_sum' [-Wunused-variable] double vel, loc_sum; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:84:10: warning: unused variable 'iptr1' [-Wunused-variable] ION *iptr1, *iptr2; ^ /u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:84:18: warning: unused variable 'iptr2' [-Wunused-variable] ION *iptr1, *iptr2; ^ /u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp: In function 'double dist_func(double, int, int)': /u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp:342:1: warning: control reaches end of non-void function [-Wreturn-type] } ^ [ 69%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/pack_stop_axpy.cpp.o [ 69%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/genvpsi.cpp.o [ 69%] Building CXX object Misc/CMakeFiles/Misc.dir/GpuAlloc.cpp.o [ 69%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/MgEigState.cpp.o [ 69%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_occ.c.o /u/system/bwjenkins/rmg-spp/src/RMG/Common/Relax.cpp: In function 'void Relax(int, double*, double*, double*, double*, double*, double*, double*, Kpoint<StateType>**) [with OrbitalType = double]': /u/system/bwjenkins/rmg-spp/src/RMG/Common/Relax.cpp:146:9: warning: 'CONV_FORCE' may be used uninitialized in this function [-Wmaybe-uninitialized] if (CONV_FORCE) ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/Relax.cpp: In function 'void Relax(int, double*, double*, double*, double*, double*, double*, double*, Kpoint<StateType>**) [with OrbitalType = std::complex<double>]': /u/system/bwjenkins/rmg-spp/src/RMG/Common/Relax.cpp:146:9: warning: 'CONV_FORCE' may be used uninitialized in this function [-Wmaybe-uninitialized] [ 69%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetGamma.cpp.o [ 71%] Building CXX object Misc/CMakeFiles/Misc.dir/GpuAllocHost.cpp.o [ 73%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/fastrelax.c.o [ 73%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/scalapack_tools.c.o [ 73%] Building CXX object Misc/CMakeFiles/Misc.dir/RmgTimer_Cbindings.cpp.o /u/system/bwjenkins/rmg-spp/src/RMG/Common/scalapack_tools.c: In function 'matsum_packbuffer': /u/system/bwjenkins/rmg-spp/src/RMG/Common/scalapack_tools.c:511:56: warning: unused variable 'idx' [-Wunused-variable] int i, j, ii, jj, iii, jjj, li, lj, maxrow, maxcol,idx; ^ Linking CXX static library libInput.a [ 73%] [ 73%] Built target Input Building CXX object Misc/CMakeFiles/Misc.dir/GlobalSums.cpp.o [ 73%] [ 73%] Building CXX object Misc/CMakeFiles/Misc.dir/GlobalSums_Cbindings.cpp.o Building CXX object Misc/CMakeFiles/Misc.dir/BaseThread_Cbindings.cpp.o [ 73%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/lbfgs_init.c.o [ 73%] Building CXX object Misc/CMakeFiles/Misc.dir/TradeImages_Cbindings.cpp.o [ 75%] Building CXX object Misc/CMakeFiles/Misc.dir/RmgSumAll_Cbindings.cpp.o [ 75%] Building CXX object Misc/CMakeFiles/Misc.dir/packfuncs_Cbindings.cpp.o [ 75%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/Nlforce.cpp.o [ 75%] Building CXX object Misc/CMakeFiles/Misc.dir/pack_dtos.cpp.o [ 75%] Building CXX object Misc/CMakeFiles/Misc.dir/pack_stod.cpp.o /u/system/bwjenkins/rmg-spp/src/RMG/Common/getpoi_bc.c: In function 'getpoi_bc': /u/system/bwjenkins/rmg-spp/src/RMG/Common/getpoi_bc.c:44:12: warning: variable 'r' set but not used [-Wunused-but-set-variable] double r, xc, yc, zc, x, y, z; ^ [ 75%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/pack_rho_ctof.c.o [ 75%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_force.c.o [ 77%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/getpoi_bc.c.o [ 77%] Building CXX object Misc/CMakeFiles/Misc.dir/BaseGrid_Cbindings.cpp.o [ 77%] /u/system/bwjenkins/rmg-spp/src/RMG/Common/nlforce_par_gamma.c: In function 'nlforce_par_gamma': /u/system/bwjenkins/rmg-spp/src/RMG/Common/nlforce_par_gamma.c:31:32: warning: unused variable 'three' [-Wunused-variable] int idx, idx1, size, n, m, three = 3; ^ [ 77%] Building CXX object Misc/CMakeFiles/Misc.dir/Lattice_Cbindings.cpp.o Building C object RMG/Common/CMakeFiles/RMG_Common.dir/nlforce_par_gamma.c.o [ 79%] Building CXX object Misc/CMakeFiles/Misc.dir/transition.cpp.o [ 79%] Building C object Misc/CMakeFiles/Misc.dir/init_pestr.c.o [ 79%] Building C object Misc/CMakeFiles/Misc.dir/init_states.c.o [ 79%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/app_smooth1.cpp.o [ 79%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/rand0.c.o [ 79%] Building C object Misc/CMakeFiles/Misc.dir/get_index.c.o /u/system/bwjenkins/rmg-spp/src/Misc/get_te.c: In function 'get_te': /u/system/bwjenkins/rmg-spp/src/Misc/get_te.c:75:26: warning: 'nrho_oppo' may be used uninitialized in this function [-Wmaybe-uninitialized] double *exc, *nrho, *nrho_oppo; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/bsplines.c: In function 'dbsint': /u/system/bwjenkins/rmg-spp/src/RMG/Common/bsplines.c:239:16: warning: variable 'ilp1mx' set but not used [-Wunused-but-set-variable] int leftx, ilp1mx; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/bsplines.c: In function 'spli2d': /u/system/bwjenkins/rmg-spp/src/RMG/Common/bsplines.c:962:55: warning: variable 'ilp1mx' set but not used [-Wunused-but-set-variable] int i, j, jj, km1, np1, left, lenq, kpkm2, iflag, ilp1mx; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/bsplines.c: In function 'spli3d': /u/system/bwjenkins/rmg-spp/src/RMG/Common/bsplines.c:1357:59: warning: variable 'ilp1mx' set but not used [-Wunused-but-set-variable] int i, j, jj, in, km1, np1, left, lenq, kpkm2, iflag, ilp1mx; ^ [ 79%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/get_extrapolation_constants.c.o [ 79%] Building C object Misc/CMakeFiles/Misc.dir/get_te.c.o [ 79%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/output_wave.c.o [ 81%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_header.c.o [ 81%] [ 81%] Building C object Misc/CMakeFiles/Misc.dir/minimage.c.o Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/BandStructure.cpp.o [ 83%] Building C object Misc/CMakeFiles/Misc.dir/get_vtot_psi.c.o [ 83%] Building C object Misc/CMakeFiles/Misc.dir/my_mpi.c.o [ 83%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/wvfn_residual.c.o [ 83%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_avgd.c.o [ 83%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/bsplines.c.o [ 83%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/claim_ion.c.o [ 83%] Building C object Misc/CMakeFiles/Misc.dir/blaswrappers.c.o [ 83%] /u/system/bwjenkins/rmg-spp/src/RMG/Common/bsplines.c: At top level: /u/system/bwjenkins/rmg-spp/src/RMG/Common/bsplines.c:1495:15: warning: 'dbs3vl' defined but not used [-Wunused-function] static double dbs3vl (double x, double y, double z__, int kx, ^ Building C object Misc/CMakeFiles/Misc.dir/set_bc.c.o [ 83%] Building C object Misc/CMakeFiles/Misc.dir/cgen_prolong.c.o [ 83%] Building C object Misc/CMakeFiles/Misc.dir/mg_restrict_6.c.o [ 85%] [ 85%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/debug_write_rho_z.c.o Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_pdb.c.o [ 85%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/nlforce_par_omega.c.o [ 85%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/real_min_all.c.o [ 85%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/neb_relax.c.o [ 85%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/app_smooth.cpp.o [ 87%] [ 87%] Building C object Misc/CMakeFiles/Misc.dir/mg_prolong_MAX10.c.o Building C object Misc/CMakeFiles/Misc.dir/ATL_assert.c.o [ 87%] Building C object Misc/CMakeFiles/Misc.dir/init_pos.c.o [ 87%] Building C object Misc/CMakeFiles/Misc.dir/rmg_error.c.o [ 87%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/xbsmovie.c.o [ 87%] Building C object Misc/CMakeFiles/Misc.dir/rmg_alloc.c.o /u/system/bwjenkins/rmg-spp/src/Misc/rmg_alloc.c: In function 'rmg_malloc': /u/system/bwjenkins/rmg-spp/src/Misc/rmg_alloc.c:16:12: warning: format '%d' expects argument of type 'int', but argument 3 has type 'size_t' [-Wformat=] printf("\n memory size required %d x %d", n, size); ^ /u/system/bwjenkins/rmg-spp/src/Misc/rmg_alloc.c: In function 'rmg_malloc_init': /u/system/bwjenkins/rmg-spp/src/Misc/rmg_alloc.c:26:13: warning: format '%d' expects argument of type 'int', but argument 3 has type 'size_t' [-Wformat=] printf("\n memory size required %d x %d", n, size); ^ /u/system/bwjenkins/rmg-spp/src/Misc/rmg_alloc.c: In function 'rmg_calloc': /u/system/bwjenkins/rmg-spp/src/Misc/rmg_alloc.c:37:13: warning: format '%d' expects argument of type 'int', but argument 3 has type 'size_t' [-Wformat=] printf("\n memory size required %d x %d", n, size); ^ /u/system/bwjenkins/rmg-spp/src/Misc/rmg_alloc.c: In function 'rmg_alloc_initialize': /u/system/bwjenkins/rmg-spp/src/Misc/rmg_alloc.c:101:9: warning: format '%s' expects argument of type 'char *', but argument 2 has type 'void *' [-Wformat=] printf ("!!!! warning: requested initialization of data pointed to by '%s' not done.\n", ptr); ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/nlforce_par_Q.c: In function 'nlforce_par_Q': /u/system/bwjenkins/rmg-spp/src/RMG/Common/nlforce_par_Q.c:35:12: warning: unused variable 'tmp' [-Wunused-variable] double tmp; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/nlforce_par_Q.c:33:9: warning: unused variable 'idx1' [-Wunused-variable] int idx1, idx2, n, m, count, icount, size; ^ /u/system/bwjenkins/rmg-spp/src/Misc/remap_3d.c: In function 'remap_3d_create_plan': /u/system/bwjenkins/rmg-spp/src/Misc/remap_3d.c:150:12: warning: unused variable 'newcomm' [-Wunused-variable] MPI_Comm newcomm; ^ [ 89%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_zstates.c.o [ 89%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/init_gpu.c.o [ 89%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/symmetry.c.o [ 89%] Building C object Misc/CMakeFiles/Misc.dir/ions.c.o [ 91%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/lbfgs.c.o [ 91%] [ 91%] [ 91%] Building C object Misc/CMakeFiles/Misc.dir/get_opposite_occupancies.c.o Building C object Misc/CMakeFiles/Misc.dir/sl_init_comm.c.o Building C object RMG/Common/CMakeFiles/RMG_Common.dir/nlforce_par_Q.c.o [ 91%] Building C object Misc/CMakeFiles/Misc.dir/get_opposite_eigvals.c.o [ 91%] [ 93%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/rmg_lbfgs.c.o [ 93%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/test_overlap.c.o Building C object Misc/CMakeFiles/Misc.dir/fill_on.c.o [ 93%] Building C object Misc/CMakeFiles/Misc.dir/pack_3d.c.o [ 93%] Building C object Misc/CMakeFiles/Misc.dir/remap_3d.c.o [ 95%] Building C object Misc/CMakeFiles/Misc.dir/factor.c.o [ 95%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_avgv.c.o [ 95%] /u/system/bwjenkins/rmg-spp/src/RMG/Common/print_density_z_direction.c: In function 'print_density_z_direction': /u/system/bwjenkins/rmg-spp/src/RMG/Common/print_density_z_direction.c:48:69: warning: variable 'max_grid_z' set but not used [-Wunused-but-set-variable] int min_grid_x, min_grid_y, min_grid_z, max_grid_x, max_grid_y, max_grid_z; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/print_density_z_direction.c:47:33: warning: variable 'zgrid' set but not used [-Wunused-but-set-variable] int p0_basis, xgrid, ygrid, zgrid; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/pulay_rho.c: In function 'pulay_rho': /u/system/bwjenkins/rmg-spp/src/RMG/Common/pulay_rho.c:68:12: warning: unused variable 'work' [-Wunused-variable] double work[MAX_STEPS*20]; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/pulay_rho.c:67:9: warning: unused variable 'lwork' [-Wunused-variable] int lwork = MAX_STEPS*20; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/fire.c: In function 'fire': /u/system/bwjenkins/rmg-spp/src/RMG/Common/fire.c:136:2: warning: value computed is not used [-Wunused-value] *n_count ++; ^ /u/system/bwjenkins/rmg-spp/src/RMG/Common/pulay_rho.c:151:4: warning: 'trade_space' may be used uninitialized in this function [-Wmaybe-uninitialized] special_dot_product(fi, fj, trade_space, weight, N_x, N_y, N_z); ^ Building C object Misc/CMakeFiles/Misc.dir/get_tf_rho.c.o [ 95%] Building CXX object Misc/CMakeFiles/Misc.dir/Vdd.cpp.o [ 95%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/move_ions.c.o [ 95%] [ 95%] [ 95%] Building CXX object Misc/CMakeFiles/Misc.dir/WriteChargeAnalysis.cpp.o Building C object RMG/Common/CMakeFiles/RMG_Common.dir/ranv.c.o Building C object RMG/Common/CMakeFiles/RMG_Common.dir/print_density_z_direction.c.o [ 95%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/set_pbc.c.o [ 97%] [ 97%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/pulay_rho.c.o Building C object Misc/CMakeFiles/Misc.dir/get_dipole.c.o [ 97%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/PartialGamma.cpp.o [ 97%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/fire.c.o [ 97%] [ 97%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/mg_prolong_6.c.o Building C object RMG/Common/CMakeFiles/RMG_Common.dir/partial_beta_fdiff.c.o /u/system/bwjenkins/rmg-spp/src/Misc/Vdd.cpp: In function 'void Vdd(double*)': /u/system/bwjenkins/rmg-spp/src/Misc/Vdd.cpp:32:14: warning: unused variable 'sp' [-Wunused-variable] SPECIES *sp; ^ /u/system/bwjenkins/rmg-spp/src/Misc/Vdd.cpp:382:12: warning: 'recv_request' may be used uninitialized in this function [-Wmaybe-uninitialized] delete [] recv_request; ^ /u/system/bwjenkins/rmg-spp/src/Misc/Vdd.cpp:381:12: warning: 'loc_array_recv' may be used uninitialized in this function [-Wmaybe-uninitialized] delete [] loc_array_recv; ^ /u/system/bwjenkins/rmg-spp/src/Misc/Vdd.cpp:380:12: warning: 'rel_index_recv' may be used uninitialized in this function [-Wmaybe-uninitialized] delete [] rel_index_recv; ^ /u/system/bwjenkins/rmg-spp/src/Misc/Vdd.cpp:228:7: warning: 'min_ion' may be used uninitialized in this function [-Wmaybe-uninitialized] if (rel_index[i] == min_ion) ^ Linking CXX static library libMisc.a Linking CXX static library libRMG_Common.a [ 97%] Built target Misc [ 97%] Built target RMG_Common Scanning dependencies of target rmg-cpu [100%] Building CXX object CMakeFiles/rmg-cpu.dir/RMG/Common/Main.cpp.o Linking CXX executable rmg-cpu rm -rf /u/system/bwjenkins/scratch/rmg-spp mkdir -p /u/system/bwjenkins/scratch/rmg-spp #cp /projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/run.pbs /u/system/bwjenkins/scratch/rmg-spp/run.pbs #cp /projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/302waters.rmg_cpu /u/system/bwjenkins/scratch/rmg-spp/ cp /projects/bluewaters/benchmarking/SPP/rmg/small/* /u/system/bwjenkins/scratch/rmg-spp/ cd /u/system/bwjenkins/scratch/rmg-spp cp /u/system/bwjenkins/rmg-spp/src/rmg-cpu ./ cat run.pbs | sed -e "s/aprun/time aprun/g" > myrun.pbs #cat myrunA.pbs | sed -e "s/OMP_NUM_THREADS=1/OM_NUM_THREADS=1\nexport #LD_LIBRARY_PATH=\$LD_LIBRARY_PATH:\$HOME\/rmg-spp\/openbabel-2.3.2\/install\/lib/g" > myrun.pbs cat -n myrun.pbs MYJOBID=`qsub myrun.pbs` qsub myrun.pbs [100%] Built target rmg-cpu 1 #!/bin/bash 2 #PBS -N zsmall 3 #PBS -j oe 4 #PBS -l walltime=2:00:00 5 #PBS -l nodes=20:ppn=32:xe 6 7 source /opt/modules/default/init/bash 8 module swap PrgEnv-cray PrgEnv-gnu 9 module load boost 10 module unload darshan 11 module list 12 13 cd $PBS_O_WORKDIR 14 15 export MPICH_MAX_THREAD_SAFETY=serialized 16 export OMP_WAIT_POLICY=passive 17 export MPICH_ENV_DISPLAY=1 18 ulimit -a 19 export MPICH_GNI_MBOX_PLACEMENT=nic 20 export MPICH_GNI_RDMA_THRESHOLD=1024 21 export MPICH_GNI_NUM_BUFS=512 22 export MPICH_GNI_MAX_EAGER_MSG_SIZE=65536 23 24 export OMP_NUM_THREADS=1 25 time aprun -n 640 -N 32 rmg-cpu 302waters.rmg_cpu 26 Job submitted to account: jnc echo MYJOBID=$MYJOBID ~arnoldg/ior/wait_for.sh $MYJOBID MYJOBID=6167700.bw === RUNNING /u/staff/arnoldg/ior/wait_for.sh === Fri Feb 17 11:49:06 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 11:54:06 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 11:59:06 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 12:04:06 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 12:09:06 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 12:14:06 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 12:19:06 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 12:24:06 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 12:29:07 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 12:34:07 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 12:39:07 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 12:44:07 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 12:49:07 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 12:54:07 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 12:59:07 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 13:04:07 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 13:09:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 13:14:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 13:19:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 13:24:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 13:29:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 13:34:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 13:39:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 13:44:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 13:49:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 13:54:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 13:59:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 14:04:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 14:09:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 14:14:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 14:19:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 14:24:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 14:29:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 14:34:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 14:39:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 14:44:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 14:49:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 14:54:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 14:59:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 15:04:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 15:09:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 15:14:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 15:19:08 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 15:24:09 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 15:29:09 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 15:34:09 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 15:39:09 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 15:44:09 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 15:49:09 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 15:54:09 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 15:59:09 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 16:04:09 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 16:09:09 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 16:14:10 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 16:19:10 CST 2017: waiting for 6167700.bw to finish Fri Feb 17 16:24:10 CST 2017: waiting for 6167700.bw to finish qstat: Unknown Job Id Error 6167700.bw tail *.log > ~/rmg-spp/rmg.logtail.txt bash: line 79: /var/lib/jenkins/rmg-spp/rmg.logtail.txt: No such file or directory grep "real" 302waters*.o* MYREALTIME=`egrep "real\s" 302waters*.o* | cut -dl -f2 | cut -dm -f1` egrep "real\s" 302waters*.o* | cut -dl -f2 | cut -dm -f1 echo "YVALUE= $MYREALTIME" > ~/rmg-spp/rmg.realtime bash: line 83: /var/lib/jenkins/rmg-spp/rmg.realtime: No such file or directory cat -n ~/rmg-spp/rmg.realtime cat: /var/lib/jenkins/rmg-spp/rmg.realtime: No such file or directory 6167700.bw finished [SSH] exit-status: 1 Build step 'Execute shell script on remote host using ssh' marked build as failure Recording plot data Saving plot series data from: /var/lib/jenkins/workspace/rmg-spp-newpe/rmg.realtime Finished: FAILURE