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
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/3.1.3
module load fftw

export CRAYPE_LINK_TYPE=dynamic
export CRAY_ADD_RPATH=yes
 
# install openbabel library
cd $INSTDIR
#wget <a href='http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz'>http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz</a>
#tar zxvf openbabel-2.3.2.tar.gz
#cd openbabel-2.3.2/
#mkdir build
#cd build/
#cmake -DCMAKE_INSTALL_PREFIX=$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 $INSTDIR
#wget <a href='http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz'>http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz</a>
cp /u/staff/anisimov/scratch/rmg/rmg-code.tgz .
tar zxvf rmg-code.tgz
cd src
cmake .
#cd rmg-release_2.1
#mkdir build-cpu; cd build-cpu
#cmake -DOPENBABEL_INCLUDES=$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/* ./
cat run.pbs | sed -e "s/aprun/time aprun/g"  &gt; myrunA.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" &gt; myrun.pbs

cat -n myrun.pbs

MYJOBID=`qsub myrun.pbs`
echo MYJOBID=$MYJOBID
~arnoldg/ior/wait_for.sh $MYJOBID
tail *.log &gt; ~/rmg-spp/rmg.logtail.txt

grep "real" 302waters*.o*
MYREALTIME=`egrep "real\s" 302waters*.o* | cut -dl -f2 | cut -dm -f1` 
echo "YVALUE= $MYREALTIME" &gt; ~/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
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;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.TAS3-1481649105_51955bd-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6 ;export LOADEDMODULES;MANPATH=/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t3/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/9.0.2t3/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/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/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/9.0.2t3/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/9.0.2t3/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=darshan-runtime:AtpSigHandler:cray-rca:libsci_mpi:libsci ;export PE_PKGCONFIG_LIBS;PE_PKGCONFIG_PRODUCTS=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.TAS3-1481649105_51955bd-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6 ;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_MPICH2_DIR;unset CRAY_MPICH2_VER;unset CRAY_MPICH_BASEDIR;unset CRAY_MPICH_DIR;unset CRAY_MPICH_ROOTDIR;unset FORTRAN_SYSTEM_MODULE_NAMES;unset FTN_X86_64;unset GCC_X86_64;unset INCLUDE_PATH_X86_64;unset LINKER_X86_64;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;
${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.TAS3-1481649105_51955bd-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6: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/9.0.2t3/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/9.0.2t3/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/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/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/9.0.2t3/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/9.0.2t3/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.TAS3-1481649105_51955bd-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/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.TAS3-1481649105_51955bd-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6: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/9.0.2t3/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/9.0.2t3/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/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/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/9.0.2t3/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/9.0.2t3/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:darshan-runtime: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.TAS3-1481649105_51955bd-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/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:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/lib:/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-interlagos:craype-network-gemini:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS3-1481649105_51955bd-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6: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/9.0.2t3/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/9.0.2t3/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/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/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/9.0.2t3/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/9.0.2t3/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:darshan-runtime: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_TRmodule swap gcc gcc/4.9.3
module load boost
module load cmake/3.1.3
module load fftw

export CRAYPE_LINK_TYPE=dynamic
export CRAY_ADD_RPATH=yes
 
# install openbabel library
cd $INSTDIR
#wget <a href='http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz'>http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz</a>
#tar zxvf openbabel-2.3.2.tar.gz
#cd openbabel-2.3.2/
#mkdir build
#cd build/
#cmake -DCMAKE_INSTALL_PREFIX=$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 <a href='http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz'>http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz</a>
cp /u/staff/anisimov/scratch/rmg/rmg-code.tgz .
tar zxvf rmg-code.tgz
ILINOS_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_DEFAULT_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=/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/lib/pkgconfig:/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-interlagos:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS3-1481649105_51955bd-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/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:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/lib:/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-interlagos:craype-network-gemini:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS3-1481649105_51955bd-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6: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/9.0.2t3/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/9.0.2t3/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/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/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/9.0.2t3/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/9.0.2t3/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-interlagos:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS3-1481649105_51955bd-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/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:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/lib:/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-interlagos:craype-network-gemini:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS3-1481649105_51955bd-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6: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-interlagos:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS3-1481649105_51955bd-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/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-interlagos:craype-network-gemini:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS3-1481649105_51955bd-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6: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/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/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/9.0.2t3/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/9.0.2t3/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-interlagos:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS3-1481649105_51955bd-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/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-interlagos:craype-network-gemini:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS3-1481649105_51955bd-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6: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/9.0.2t3/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/9.0.2t3/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/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/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/9.0.2t3/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/9.0.2t3/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:darshan-runtime: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-interlagos:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS3-1481649105_51955bd-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/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
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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/
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src/RMG/Common/CMakeFiles/RMG_Common.dir/LcaoGetAwave.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/ApplyBOperator.cpp.rpo
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src/RMG/Common/CMakeFiles/RMG_Common.dir/LcaoGetPsi.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/PotentialAcceleration.cpp.rpo
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src/RMG/Common/CMakeFiles/RMG_Common.dir/WriteData.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/GetNewRho.cpp.rpo
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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
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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
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src/RMG/Common/CMakeFiles/RMG_Common.dir/AppNls.cpp.rpo
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src/XC_useLIBXC/CMakeFiles/XC.dir/bpgcxc.f.o
src/XC_useLIBXC/CMakeFiles/XC.dir/corlyp.c.o
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src/XC_useLIBXC/get_new_tau.c
src/XC_useLIBXC/libXC.a
src/XC_useLIBXC/pbe.f
src/XC_useLIBXC/bpgcxc.f
src/XC_useLIBXC/relax_tau.c
src/XC_useLIBXC/mix_tau.c
src/XC_useLIBXC/corlyp.c
src/README.windows
src/RmgLib/
src/RmgLib/cmake_install.cmake
src/RmgLib/CMakeLists.txt
src/RmgLib/examples/
src/RmgLib/examples/Poisson/
src/RmgLib/examples/Poisson/poisson_pbc.cpp
src/RmgLib/Makefile
src/RmgLib/include/
src/RmgLib/include/Lattice.h
src/RmgLib/include/BaseGrid.h
src/RmgLib/include/FiniteDiff.h
src/RmgLib/include/boundary_conditions.h
src/RmgLib/include/BaseThreadControl.h
src/RmgLib/include/BaseThread.h
src/RmgLib/include/spinlock.h
src/RmgLib/include/RmgLib_version.h
src/RmgLib/include/RmgTimer.h
src/RmgLib/include/vhartree.h
src/RmgLib/include/RmgThreadAlloc.h
src/RmgLib/include/Mgrid.h
src/RmgLib/include/RmgSumAll.h
src/RmgLib/include/TradeImages.h
src/RmgLib/include/rmg_error.h
src/RmgLib/include/RmgLib.h
src/RmgLib/include/packfuncs.h
src/RmgLib/CREDITS
src/RmgLib/CMakeFiles/
src/RmgLib/CMakeFiles/CMakeDirectoryInformation.cmake
src/RmgLib/CMakeFiles/progress.marks
src/RmgLib/CMakeFiles/poisson_pbc.dir/
src/RmgLib/CMakeFiles/poisson_pbc.dir/build.make
src/RmgLib/CMakeFiles/poisson_pbc.dir/link.txt
src/RmgLib/CMakeFiles/poisson_pbc.dir/examples/
src/RmgLib/CMakeFiles/poisson_pbc.dir/examples/Poisson/
src/RmgLib/CMakeFiles/poisson_pbc.dir/progress.make
src/RmgLib/CMakeFiles/poisson_pbc.dir/DependInfo.cmake
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src/RmgLib/CMakeFiles/RmgLib.dir/src/TradeImages.cpp.rpo
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src/RmgLib/CMakeFiles/RmgLib.dir/src/app_cil_driver_threaded.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/RmgPrintTimings.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/get_vh.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/app_cir_driver.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/FiniteDiff.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/rmg_error.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/RmgSumAll.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/BaseThread.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/packfuncs.cpp.rpo
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src/RmgLib/CMakeFiles/RmgLib.dir/src/BaseGrid.cpp.rpo
src/RmgLib/CMakeFiles/RmgLibShared.dir/
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src/RmgLib/CMakeFiles/RmgLibShared.dir/link.txt
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src/RmgLib/CMakeFiles/RmgLibShared.dir/DependInfo.cmake
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src/RmgLib/CMakeFiles/RmgLibShared.dir/depend.internal
src/RmgLib/CMakeFiles/RmgLibShared.dir/flags.make
src/RmgLib/CMakeFiles/RmgLibShared.dir/cmake_clean.cmake
src/RmgLib/CMakeFiles/RmgLibShared.dir/src/
src/RmgLib/src/
src/RmgLib/src/RmgTimer.cpp
src/RmgLib/src/TradeImages.cpp
src/RmgLib/src/app_cir_driver.cpp
src/RmgLib/src/RmgSumAll.cpp
src/RmgLib/src/Lattice.cpp
src/RmgLib/src/app_cil_driver_threaded.cpp
src/RmgLib/src/RmgMaxAll.cpp
src/RmgLib/src/packfuncs.cpp
src/RmgLib/src/app_del2_driver.cpp
src/RmgLib/src/BaseGrid.cpp
src/RmgLib/src/FiniteDiff.cpp
src/RmgLib/src/svn-commit.tmp
src/RmgLib/src/app_cil_driver.cpp
src/RmgLib/src/app_grad_driver.cpp
src/RmgLib/src/RmgLib.cpp
src/RmgLib/src/get_vh.cpp
src/RmgLib/src/rmg_error.cpp
src/RmgLib/src/RmgPrintTimings.cpp
src/RmgLib/src/Mgrid.cpp
src/RmgLib/src/BaseThread.cpp
src/cmake/
src/cmake/CMakeFiles/
src/cmake/CMakeFiles/cmake.check_cache
src/cmake/Modules/
src/cmake/Modules/FindNUMA.cmake
src/cmake/Modules/FindPLPLOT.cmake
src/cmake/Modules/FindOPENBABEL.cmake
src/cmake/Modules/FindBLACS.cmake
src/cmake/Modules/FindELEMENTAL.cmake
src/cmake/Modules/FindMAGMA.cmake
src/cmake/Modules/FindSCALAPACK.cmake
src/cmake/Modules/FindLIBSPG.cmake
src/cmake/Modules/FindPMRRR.cmake
src/cmake/Modules/FindPFFT.cmake
src/cmake/Modules/FindBZ2.cmake
src/cmake/Modules/FindFFTW.cmake
src/cmake/Modules/FindZ.cmake
src/cmake/Modules/FindLIBXC.cmake
src/cmake/CMakeCache.txt
src/script_to_rmg
src/README.stable
src/CMakeCPackOptions.cmake.in
src/InternalPseudo/
src/InternalPseudo/cmake_install.cmake
src/InternalPseudo/CMakeLists.txt
src/InternalPseudo/Makefile
src/InternalPseudo/Data/
src/InternalPseudo/Data/na_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/k_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/sb_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/te_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/fe_pbe_v1.5.uspp.F.UPF.h
src/InternalPseudo/Data/be_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/cl_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/se_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/br_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/tc_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/sn_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/in_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/ge_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/v_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/ga_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/si_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/n_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/rb_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/cd_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/cl_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/al_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/f_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/b_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/ge_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/pd_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/p_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/ag_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/nb_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/pb_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/li_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/tl_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/na_pbe_v1.5.uspp.F.UPF.h
src/InternalPseudo/Data/s_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/sb_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/k_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/li_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/v_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/fe_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/os_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/ta_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/mg_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/ag_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/rh_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/au_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/la_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/b_pbe_v1.01.uspp.F.UPF.h
src/InternalPseudo/Data/ru_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/pd_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/hg_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/ti_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/s_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/mn_pbe_v1.5.uspp.F.UPF.h
src/InternalPseudo/Data/h_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/pt_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/ti_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/ba_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/y_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/cr_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/y_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/sn_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/cr_pbe_v1.5.uspp.F.UPF.h
src/InternalPseudo/Data/ni_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/h_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/in_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/c_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/mn_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/ir_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/as_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/w_pbe_v1.2.uspp.F.UPF.h
cd src
cmake .
src/InternalPseudo/Data/f_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/rh_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/mo_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/cu_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/o_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/p_pbe_v1.5.uspp.F.UPF.h
src/InternalPseudo/Data/re_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/cs_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/pt_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/i_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/be_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/sc_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/zn_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/pseudo_list.h
src/InternalPseudo/Data/ca_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/hf_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/mg_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/zr_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/co_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/ni_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/sr_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/ga_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/br_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/bi_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/CMakeFiles/
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/cmake_clean_target.cmake
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src/InternalPseudo/CMakeFiles/InternalPseudo.dir/depend.internal
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/flags.make
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/InternalPseudo.cpp.rpo
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/cmake_clean.cmake
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src/InternalPseudo/InternalPseudo.cpp
src/MG/
src/MG/cmake_install.cmake
src/MG/CMakeLists.txt
src/MG/Makefile
src/MG/find_grid_owner.c
src/MG/CMakeFiles/
src/MG/CMakeFiles/CMakeDirectoryInformation.cmake
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src/MG/CMakeFiles/MG.dir/build.make
src/MG/CMakeFiles/MG.dir/link.txt
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src/MG/CMakeFiles/MG.dir/depend.internal
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src/MG/CMakeFiles/MG.dir/cmake_clean.cmake
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src/svnrev.h.in
-- The Fortran compiler identification is GNU
-- Check for working Fortran compiler: /opt/gcc/4.9.3/bin/gfortran
-- Check for working Fortran compiler: /opt/gcc/4.9.3/bin/gfortran  -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /opt/gcc/4.9.3/bin/gfortran supports Fortran 90
-- Checking whether /opt/gcc/4.9.3/bin/gfortran supports Fortran 90 -- yes
-- The C compiler identification is GNU 4.9.3
-- The CXX compiler identification is GNU 4.9.3
-- Check for working C compiler: /opt/gcc/4.9.3/bin/gcc
-- Check for working C compiler: /opt/gcc/4.9.3/bin/gcc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /opt/gcc/4.9.3/bin/c++
-- Check for working CXX compiler: /opt/gcc/4.9.3/bin/c++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Could NOT find MPI_C (missing:  MPI_C_LIBRARIES MPI_C_INCLUDE_PATH) 
-- Could NOT find MPI_CXX (missing:  MPI_CXX_LIBRARIES MPI_CXX_INCLUDE_PATH) 
-- Could NOT find MPI_Fortran (missing:  MPI_Fortran_LIBRARIES MPI_Fortran_INCLUDE_PATH) 
-- Looking for include file pthread.h
-- Looking for include file pthread.h - found
-- Looking for pthread_create
-- Looking for pthread_create - found
-- Found Threads: TRUE  
-- Found NUMA: /usr/lib64/libnuma.so  
-- Could NOT find PLPLOT (missing:  PLplot_LIBRARY PLplot_cxx_LIBRARY PLplot_INCLUDE_DIR) 
-- Boost version: 1.53.0
-- Found the following Boost libraries:
--   thread
--   system
--   iostreams
--   program_options
--   filesystem
-- Found BZ2: /usr/lib64/libbz2.so  
-- Found Z: /usr/lib64/libz.so  
-- Could NOT find OPENBABEL (missing:  OPENBABEL_LIBRARIES OPENBABEL_INCLUDES) 
-- Performing Test CHECK_OPENBABEL_INTERNAL1
-- Performing Test CHECK_OPENBABEL_INTERNAL1 - Failed
-- Performing Test CHECK_OPENBABEL_INTERNAL2
-- Performing Test CHECK_OPENBABEL_INTERNAL2 - Failed
-- Found FFTW: /opt/fftw/default/x86_64/lib/libfftw3.a  
-- Could NOT find PFFT (missing:  PFFT_LIBRARIES PFFT_INCLUDES) 
pfft-master/
pfft-master/README
pfft-master/tests/
pfft-master/tests/simple_check_r2c_3d_on_3d_transposed_many.c
pfft-master/tests/simple_check_ousam_r2c_4d_transposed_newarray.c
pfft-master/tests/f03/
pfft-master/tests/f03/simple_check_r2c_4d_on_3d_transposed.F03
pfft-master/tests/f03/Makefile.am
pfft-master/tests/f03/time_c2c_transposed.F03
pfft-master/tests/f03/simple_check_r2c_4d_on_3d.F03
pfft-master/tests/f03/simple_check_c2c_transposed.F03
pfft-master/tests/f03/Makefile.in
pfft-master/tests/f03/simple_check_ousam_r2c_4d_on_3d.F03
pfft-master/tests/f03/time_c2c.F03
pfft-master/tests/f03/simple_check_c2c.F03
pfft-master/tests/f03/simple_check_ousam_c2c_4d_on_3d.F03
pfft-master/tests/f03/simple_check_ousam_r2c_4d_on_3d_transposed.F03
pfft-master/tests/f03/simple_check_ousam_c2c_4d_on_3d_transposed.F03
pfft-master/tests/simple_check_ousam_r2c_4d_on_3d.c
pfft-master/tests/simple_check_c2c_3d_on_3d_transposed.c
pfft-master/tests/debug_simple_check_r2c_3d_on_3d_transposed_many.c
pfft-master/tests/simple_check_c2c_4d_transposed.c
pfft-master/tests/simple_check_r2c_4d_transposed.c
pfft-master/tests/simple_check_c2c_4d_on_3d.c
pfft-master/tests/serial_c2c.c
pfft-master/tests/simple_check_ousam_r2c_4d.c
pfft-master/tests/Makefile.am
pfft-master/tests/simple_check_ousam_r2c_padded.c
pfft-master/tests/simple_check_c2c_ldouble.c
pfft-master/tests/debug_simple_check_ghost_c2c_3d_on_3d.c
pfft-master/tests/simple_check_r2r_3d_on_3d.c
pfft-master/tests/simple_check_c2c_4d.c
pfft-master/tests/simple_check_r2c_newarray.c
pfft-master/tests/simple_check_ousam_c2c_transposed.c
pfft-master/tests/simple_check_c2c_float.c
pfft-master/tests/adv_check_ghost_c2c.c
pfft-master/tests/simple_check_ousam_r2c_4d_on_3d_transposed.c
pfft-master/tests/simple_check_r2c_4d.c
pfft-master/tests/simple_check_ousam_c2c_4d_newarray.c
pfft-master/tests/simple_check_ghost_r2c_output.c
pfft-master/tests/simple_check_c2c_3d_on_3d.c
pfft-master/tests/build_checks.sh
pfft-master/tests/simple_check_ousam_r2r.c
pfft-master/tests/simple_check_r2r_transposed.c
pfft-master/tests/simple_check_ousam_c2c.c
pfft-master/tests/simple_check_ousam_r2c.c
pfft-master/tests/Makefile.in
pfft-master/tests/simple_check_ousam_c2c_4d_on_3d.c
pfft-master/tests/simple_check_ousam_c2c_4d.c
pfft-master/tests/simple_check_r2r_3d_on_3d_transposed.c
pfft-master/tests/simple_check_r2c_4d_on_3d_transposed.c
pfft-master/tests/bench_c2c.c
pfft-master/tests/simple_check_r2c_3d_on_3d.c
pfft-master/tests/simple_check_ghost_c2c_3d_on_3d.c
pfft-master/tests/simple_check_r2r_4d_on_3d_transposed.c
pfft-master/tests/simple_check_c2r_c2c_ousam_shifted.c
pfft-master/tests/simple_check_r2c_padded_newarray.c
pfft-master/tests/simple_check_c2c.c
pfft-master/tests/time_c2c_transposed.c
pfft-master/tests/simple_check_ousam_r2c_transposed.c
pfft-master/tests/simple_check_r2r_4d_transposed.c
pfft-master/tests/simple_check_r2c_3d_on_3d_transposed.c
pfft-master/tests/simple_check_ousam_c2r.c
pfft-master/tests/scale_c2c.c
pfft-master/tests/simple_check_r2r_4d.c
pfft-master/tests/simple_check_c2c_4d_on_3d_transposed.c
pfft-master/tests/simple_check_r2r_4d_on_3d.c
pfft-master/tests/minimal_check_c2c.c
pfft-master/tests/simple_check_ousam_r2r_transposed.c
pfft-master/tests/simple_check_ousam_r2c_4d_newarray.c
pfft-master/tests/simple_check_c2c_inplace.c
pfft-master/tests/simple_check_c2c_transposed_newarray.c
pfft-master/tests/simple_check_c2c_transposed_inplace.c
pfft-master/tests/simple_check_c2c_transposed.c
pfft-master/tests/simple_check_r2c_padded_transposed_newarray.c
pfft-master/tests/simple_check_r2r.c
pfft-master/tests/simple_check_r2c_transposed_newarray.c
pfft-master/tests/simple_check_ousam_c2c_4d_on_3d_transposed.c
pfft-master/tests/simple_check_r2c_4d_on_3d.c
pfft-master/tests/simple_check_c2r_c2c_shifted.c
pfft-master/tests/simple_check_c2c_newarray.c
pfft-master/tests/scale_c2c_1d.c
pfft-master/tests/simple_check_r2c_transposed.c
pfft-master/tests/time_c2c.c
pfft-master/tests/simple_check_ousam_c2c_4d_transposed_newarray.c
pfft-master/tests/run_checks.sh
pfft-master/tests/openmp/
pfft-master/tests/openmp/matrix_transpose.c
pfft-master/tests/openmp/Makefile.am
pfft-master/tests/openmp/Makefile.in
pfft-master/tests/openmp/simple_check_c2c_omp.c
pfft-master/tests/openmp/simple_check_c2c.c
pfft-master/tests/openmp/omp_bench_c2c.c
pfft-master/tests/openmp/simple_check_c2c_transposed.c
pfft-master/tests/openmp/transpose_check_fftw.c
pfft-master/tests/manual_c2c_3d.c
pfft-master/tests/simple_check_ghost_r2c_input_padded.c
pfft-master/tests/simple_check_c2r_c2c.c
pfft-master/tests/simple_check_ousam_c2c_4d_transposed.c
pfft-master/tests/simple_check_r2c.c
pfft-master/tests/man_fftw_3don1d.c
pfft-master/tests/minimal_check_c2c_transposed.c
pfft-master/tests/fortran/
pfft-master/tests/fortran/Makefile.am
pfft-master/tests/fortran/simple_check_c2c.F90
pfft-master/tests/fortran/simple_check_r2c_3d_on_3d_transposed.F90
pfft-master/tests/fortran/simple_check_r2r.F90
pfft-master/tests/fortran/simple_check_ghost_c2c_3d_on_3d.F90
pfft-master/tests/fortran/simple_check_ousam_r2r_transposed.F90
pfft-master/tests/fortran/Makefile.in
pfft-master/tests/fortran/simple_check_ousam_r2c_transposed.F90
pfft-master/tests/fortran/simple_test.F90
pfft-master/tests/fortran/simple_check_r2c_3d_on_3d.F90
pfft-master/tests/fortran/simple_check_r2r_transposed.F90
pfft-master/tests/fortran/simple_check_ousam_c2c_transposed.F90
pfft-master/tests/fortran/simple_check_c2c_transposed.F90
pfft-master/tests/fortran/simple_check_ousam_r2c.F90
pfft-master/tests/fortran/simple_check_r2c.F90
pfft-master/tests/fortran/simple_check_ghost_c2c.F90
pfft-master/tests/fortran/simple_check_ousam_c2c.F90
pfft-master/tests/fortran/simple_check_ousam_r2r.F90
pfft-master/tests/fortran/simple_check_r2c_transposed.F90
pfft-master/tests/simple_check_ghost_r2c_input.c
pfft-master/tests/simple_check_ousam_r2c_4d_transposed.c
pfft-master/tests/man_fftw_3don1d.ctex
pfft-master/tests/simple_check_ghost_c2c.c
pfft-master/configure.ac
pfft-master/.gitignore
pfft-master/m4/
pfft-master/m4/ax_cxx_library_ldflags.m4
pfft-master/m4/ax_gcc_x86_cpuid.m4
pfft-master/m4/ax_compiler_vendor.m4
pfft-master/m4/ax_filelist.m4
pfft-master/m4/ax_fcs_direct.m4
pfft-master/m4/ax_diff_library_ldflags.m4
pfft-master/m4/ac_fc_line_length.m4
pfft-master/m4/ax_check_dir.m4
pfft-master/m4/ax_lapack.m4
pfft-master/m4/ax_apple_gcc_archflag.m4
pfft-master/m4/ltsugar.m4
pfft-master/m4/ax_fcs_config.m4
pfft-master/m4/ax_sort_lib.m4
pfft-master/m4/ac_fc_module_extension.m4
pfft-master/m4/ax_gcc_version.m4
pfft-master/m4/ac_fc_pp_define.m4
pfft-master/m4/ax_prog_cc_mpi.m4
pfft-master/m4/ax_fcs_fmm.m4
pfft-master/m4/libtool.m4
pfft-master/m4/ltoptions.m4
pfft-master/m4/ax_intrinsics.m4
pfft-master/m4/ac_prog_cc_c99.m4
pfft-master/m4/ltversion.m4
pfft-master/m4/acx_fccpp.m4
pfft-master/m4/ax_boost_base.m4
pfft-master/m4/ax_boost_system.m4
pfft-master/m4/ax_cc_library_ldflags.m4
pfft-master/m4/ax_gcc_archflag.m4
pfft-master/m4/ax_gcc_aligns_stack.m4
pfft-master/m4/ax_cc_maxopt.m4
pfft-master/m4/ac_fc_module_flag.m4
pfft-master/m4/ax_boost_filesystem.m4
pfft-master/m4/ax_lib_pfft.m4
pfft-master/m4/ax_blas.m4
pfft-master/m4/am_path_vtk.m4
pfft-master/m4/ax_boost_unit_test_framework.m4
pfft-master/m4/ax_fc_no_range_check.m4
pfft-master/m4/ax_fortran_kinds.m4
pfft-master/m4/ax_fc_integer_kind.m4
pfft-master/m4/ac_fc_pp_srcflag.m4
pfft-master/m4/ax_prog_cxx_mpi.m4
pfft-master/m4/ax_openmp.m4
pfft-master/m4/acx_fc_library_ldflags_fix.m4
pfft-master/m4/ax_lib_fftw3.m4
pfft-master/m4/acx_mpi.m4
pfft-master/m4/acx_pthread.m4
pfft-master/m4/ax_prog_fc_mpi.m4
pfft-master/m4/ac_fc_fixedform.m4
pfft-master/m4/ax_disable.m4
pfft-master/m4/ax_fortran_depend.m4
pfft-master/m4/ax_prog_f77_mpi.m4
pfft-master/m4/acx_mpiexec.m4
pfft-master/m4/ax_fcs_package.m4
pfft-master/m4/ax_lib_pnfft.m4
pfft-master/m4/lt~obsolete.m4
pfft-master/m4/ax_check_compiler_flags.m4
pfft-master/m4/ax_fcs_types.m4
pfft-master/Makefile.am
pfft-master/kernel/
pfft-master/kernel/partrafo-transposed.c
pfft-master/kernel/Makefile.am
pfft-master/kernel/ipfft.h
pfft-master/kernel/sertrafo.c
pfft-master/kernel/procmesh.c
pfft-master/kernel/Makefile.in
pfft-master/kernel/malloc.c
pfft-master/kernel/block.c
pfft-master/kernel/timer.c
pfft-master/kernel/check.c
pfft-master/kernel/outrafo.c
pfft-master/kernel/transpose.c
pfft-master/kernel/remap_3dto2d.c
pfft-master/kernel/ousample.c
pfft-master/kernel/partrafo.c
pfft-master/CONVENTIONS
pfft-master/pfft.pc.in
pfft-master/build-aux/
pfft-master/build-aux/missing
pfft-master/build-aux/depcomp
pfft-master/build-aux/get_supplementary.sh
pfft-master/build-aux/fortran-depcomp
pfft-master/build-aux/config.guess
pfft-master/build-aux/ltmain.sh
pfft-master/build-aux/fortran-rules.am
pfft-master/build-aux/config.sub
pfft-master/build-aux/get_autotools.sh
pfft-master/build-aux/install-sh
pfft-master/Makefile.in
pfft-master/config.h.in
pfft-master/COPYING
pfft-master/bootstrap.sh
pfft-master/TODO
pfft-master/doc/
pfft-master/doc/tutorial.tex
pfft-master/doc/code/
pfft-master/doc/code/manual_min_c2c.c
pfft-master/doc/install.tex
pfft-master/doc/.gitignore
pfft-master/doc/reference.dvi
pfft-master/doc/Makefile.am
pfft-master/doc/intro.tex
pfft-master/doc/shortcuts.tex
pfft-master/doc/manual.tex
pfft-master/doc/reference.log
pfft-master/doc/Makefile.in
pfft-master/doc/fortran.tex
pfft-master/doc/latexinc.sh.in
pfft-master/doc/interface.tex
pfft-master/doc/develop.tex
pfft-master/doc/bibliography.bib
pfft-master/doc/features.tex
pfft-master/doc/latex-manual.sh
pfft-master/doc/reference.tex
pfft-master/util/
pfft-master/util/Makefile.am
pfft-master/util/getargs.c
pfft-master/util/util.h
pfft-master/util/Makefile.in
pfft-master/util/util.c
pfft-master/fconfig.h.in
pfft-master/scripts/
pfft-master/scripts/install_pfft_intel_debug.sh
pfft-master/scripts/build_release_gcc.sh
pfft-master/scripts/install_pfft_chic.sh
pfft-master/scripts/install_pfft_gcc.sh
pfft-master/scripts/install_pfft_gcc_debug.sh
pfft-master/scripts/install_pfft_bgp_debug.sh
pfft-master/scripts/install_pfft_chic_debug.sh
pfft-master/scripts/make_release_gcc.sh
pfft-master/scripts/install_pfft_bgq.sh
pfft-master/scripts/install_pfft_bgq_debug.sh
pfft-master/scripts/install_pfft_intel.sh
pfft-master/scripts/install_pfft_bgp.sh
pfft-master/gcell/
pfft-master/gcell/gctimer.c
pfft-master/gcell/gcells_RMA.c
pfft-master/gcell/Makefile.am
pfft-master/gcell/gcells_sendrecv.c
pfft-master/gcell/gcells_plan.c
pfft-master/gcell/Makefile.in
pfft-master/AUTHORS
pfft-master/NEWS
pfft-master/aclocal.m4
pfft-master/.travis.yml
pfft-master/conf/
pfft-master/conf/travis-install-fftw.sh
pfft-master/conf/travis-install-mpi.sh
pfft-master/conf/.travis-install-mpi.sh.swp
pfft-master/INSTALL
pfft-master/configure
pfft-master/api/
pfft-master/api/api-basic.c
pfft-master/api/pfft.h
pfft-master/api/pfft.f03.in
pfft-master/api/pfftl.f03.in
pfft-master/api/Makefile.am
pfft-master/api/genf03-wrap.pl
pfft-master/api/fortran-api.c
pfft-master/api/Makefile.in
pfft-master/api/fortran-mangling.h
pfft-master/api/fortran-prototypes.h
pfft-master/api/f03-wrap.sh
pfft-master/api/build-f03-api.sh
pfft-master/api/f03-api.sh
pfft-master/api/f03-wrap.c
pfft-master/api/fortran-wrappers.h
pfft-master/api/pfft.f.in
pfft-master/api/genf03-api.pl
pfft-master/api/api-adv.c
pfft-master/autom4te.cache/
pfft-master/autom4te.cache/output.1
pfft-master/autom4te.cache/traces.0
pfft-master/autom4te.cache/output.0
pfft-master/autom4te.cache/traces.1
pfft-master/autom4te.cache/requests
pfft-master/ChangeLog
configure: ****************************************************************
configure: *      Configuring in common/pfft                              *
configure: ****************************************************************
checking build system type... x86_64-suse-linux-gnu
checking host system type... x86_64-pc-none
checking for a BSD-compatible install... /usr/bin/install -c
checking whether build environment is sane... yes
checking for x86_64-strip... no
checking for strip... strip
checking for a thread-safe mkdir -p... /bin/mkdir -p
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
checking whether make supports nested variables... yes
checking for style of include used by make... GNU
checking for x86_64-mpicc... /opt/gcc/4.9.3/bin/gcc
checking for x86_64-gcc... (cached) /opt/gcc/4.9.3/bin/gcc
checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables... 
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether /opt/gcc/4.9.3/bin/gcc accepts -g... yes
checking for /opt/gcc/4.9.3/bin/gcc option to accept ISO C89... none needed
checking dependency style of /opt/gcc/4.9.3/bin/gcc... gcc3
checking for function MPI_Init... no
checking for function MPI_Init in -lmpi... no
checking for function MPI_Init in -lmpich... CMake Error at /mnt/a/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/share/cmake-3.1/Modules/FindPackageHandleStandardArgs.cmake:138 (message):
  Could NOT find PFFT (missing: PFFT_LIBRARIES PFFT_INCLUDES)
Call Stack (most recent call first):
  /mnt/a/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/share/cmake-3.1/Modules/FindPackageHandleStandardArgs.cmake:374 (_FPHSA_FAILURE_MESSAGE)
  cmake/Modules/FindPFFT.cmake:26 (find_package_handle_standard_args)
  CMakeLists.txt:464 (find_package)


#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
CMake Error: The source directory "/u/sciteam/ebriggs/Projects/codes" does not exist.
Specify --help for usage, or press the help button on the CMake GUI.
make: *** [cmake_check_build_system] Error 1

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/* ./
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/cmake'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/CMakeFiles'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/doxygen'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/Examples'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/Finite_diff'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/Force'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/Headers'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/Input'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/InternalPseudo'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/lib'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/MG'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/Misc'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/NEGF'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/ON'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/PlatformChecks'
no
configure: error: in `/mnt/a/u/system/bwjenkins/rmg-spp/src/lib/pfft-master/lib64':
configure: error: PFFT requires an MPI C compiler.
See `config.log' for more details
make: *** No targets specified and no makefile found.  Stop.
make: *** No rule to make target `install'.  Stop.
-- Could NOT find PFFT (missing:  PFFT_LIBRARIES PFFT_INCLUDES) 
-- Configuring incomplete, errors occurred!
See also "/u/system/bwjenkins/rmg-spp/src/CMakeFiles/CMakeOutput.log".
See also "/u/system/bwjenkins/rmg-spp/src/CMakeFiles/CMakeError.log".
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/RMG'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/RmgLib'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/SubprojectIncludes'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/TDDFT'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/US_PP'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/XC'
cp: omitting directory `/u/system/bwjenkins/rmg-spp/src/XC_useLIBXC'
cat run.pbs | sed -e "s/aprun/time aprun/g"  &gt; myrunA.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" &gt; myrun.pbs

cat -n myrun.pbs

MYJOBID=`qsub myrun.pbs`
qsub myrun.pbs
     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 $PBS_O_WORKDIR
    14	
    15	export MPICH_MAX_THREAD_SAFETY=serialized
    16	export OMP_WAIT_POLICY=passive
    17	export MPICH_ENV_DISPLAY=1
    18	ulimit -a
    19	export MPICH_GNI_MBOX_PLACEMENT=nic
    20	export MPICH_GNI_RDMA_THRESHOLD=1024
    21	export MPICH_GNI_NUM_BUFS=512
    22	export MPICH_GNI_MAX_EAGER_MSG_SIZE=65536
    23	
    24	export OM_NUM_THREADS=1
    25	export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$HOME/rmg-spp/openbabel-2.3.2/install/lib
    26	time aprun -n 640 -N 32 rmg-cpu 302waters.rmg_cpu
    27	
Job submitted to account: jnc
echo MYJOBID=$MYJOBID
~arnoldg/ior/wait_for.sh $MYJOBID
MYJOBID=6167678.bw
=== RUNNING /u/staff/arnoldg/ior/wait_for.sh ===
Fri Feb 17 11:27:16 CST 2017: waiting for 6167678.bw to finish
Build was aborted
Aborted by arnoldg
Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/rmg-spp-newpe/rmg.realtime
Finished: ABORTED