Console Output

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=~/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 $INSTDIR
wget http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz
tar zxvf openbabel-2.3.2.tar.gz
cd openbabel-2.3.2/
mkdir build
cd build/
cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/openbabel-2.3.2/install ..
nice make -j8
make install
 
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$INSTDIR/openbabel-2.3.2/install/lib
 
export CC=cc
export CXX=CC
export FC=ftn
 
# install plplot library
cd $INSTDIR
git clone git://git.code.sf.net/p/plplot/plplot plplot.git
cd plplot.git/
mkdir build
cd build
cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/plplot.git/install ..
make
make install
 
# install CPU-version of RMG
cd $INSTDIR
wget http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz
tar zxvf rmg-release_2.1.tar.gz
cd rmg-release_2.1
mkdir build-cpu; cd build-cpu
cmake -DOPENBABEL_INCLUDES=$INSTDIR/openbabel-2.3.2/install/include/openbabel-2.0/openbabel -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/rmg-release_2.1/build-cpu/rmg-cpu ./
cat run.pbs | sed -e "s/aprun/time aprun/g"  > 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" > myrun.pbs

cat -n myrun.pbs

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

grep "real" z302water_cpu100.o*
MYREALTIME=`egrep "real\s" z302water_cpu100.o* | cut -dl -f2 | cut -dm -f1` 
echo "YVALUE= $MYREALTIME" > ~/rmg-spp/rmg.realtime
cat -n ~/rmg-spp/rmg.realtime

# specify installation directory
export INSTDIR=~/rmg-spp
#rm -rf $INSTDIR
mkdir $INSTDIR
mkdir: cannot create directory `/var/lib/jenkins/rmg-spp': No such file or directory
 
# 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.TAS2-1477409647_6706986-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/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/man:/opt/cray/man/csmlversion:/opt/cray/craype/2.5.4/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;PATH=/sw/tools/bin:/sw/tools/bin:/sw/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/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/cray/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;PE_PKGCONFIG_LIBS=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.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/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.TAS2-1477409647_6706986-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/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/man:/opt/cray/man/csmlversion:/opt/cray/craype/2.5.4/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;NLSPATH=/opt/cray/cce/8.5.5/CC/x86-64/nls/En/%N.cat:/opt/cray/cce/8.5.5/craylibs/x86-64/nls/En/%N.cat:/opt/cray/cce/8.5.5/cftn/x86-64/nls/En/%N.cat ;export NLSPATH;PATH=/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin:/opt/cray/cce/8.5.5/craylibs/x86-64/bin:/opt/cray/cce/8.5.5/cftn/bin:/opt/cray/cce/8.5.5/CC/bin:/sw/tools/bin:/sw/tools/bin:/sw/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/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/cray/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;PE_LEVEL=8.5 ;export PE_LEVEL;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.4:/opt/cray/modulefiles/cray-libsci/16.03.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.1:/opt/cray/modulefiles/PrgEnv-cray/5.2.82:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/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.TAS2-1477409647_6706986-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/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/man:/opt/cray/man/csmlversion:/opt/cray/craype/2.5.4/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;MPICH_DIR=/opt/cray/mpt/7.5.0/gni/mpich-cray/8.4 ;export MPICH_DIR;PATH=/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin:/opt/cray/cce/8.5.5/craylibs/x86-64/bin:/opt/cray/cce/8.5.5/cftn/bin:/opt/cray/cce/8.5.5/CC/bin:/sw/tools/bin:/sw/tools/bin:/sw/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/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/cray/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;PE_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_CXX_PKGCONFIG_LIBS;PE_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_FORTRAN_PKGCONFIG_LIBS;PE_INTEL_FIXED_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/mpich-intel/16.0/lib/pkgconfig ;export PE_INTEL_FIXED_PKGCONFIG_PATH;PE_MPICH_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_MPICH_CXX_PKGCONFIG_LIBS;PE_MPICH_DIR_CRAY_DEFAULT64=64 ;export PE_MPICH_DIR_CRAY_DEFAULT64;PE_MPICH_DIR_PGI_DEFAULT64=64 ;export PE_MPICH_DIR_PGI_DEFAULT64;PE_MPICH_FIXED_PRGENV=INTEL ;export PE_MPICH_FIXED_PRGENV;PE_MPICH_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_MPICH_FORTRAN_PKGCONFIG_LIBS;PE_MPICH_GENCOMPILERS_CRAY=8.4 ;export PE_MPICH_GENCOMPILERS_CRAY;PE_MPICH_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_MPICH_GENCOMPILERS_GNU;PE_MPICH_GENCOMPILERS_PGI=15.3 ;export PE_MPICH_GENCOMPILERS_PGI;PE_MPICH_GENCOMPS_CRAY=84 ;export PE_MPICH_GENCOMPS_CRAY;PE_MPICH_GENCOMPS_GNU=51\ 49 ;export PE_MPICH_GENCOMPS_GNU;PE_MPICH_GENCOMPS_PGI=153 ;export PE_MPICH_GENCOMPS_PGI;PE_MPICH_MODULE_NAME=cray-mpich ;export PE_MPICH_MODULE_NAME;PE_MPICH_MULTITHREADED_LIBS_multithreaded=_mt ;export PE_MPICH_MULTITHREADED_LIBS_multithreaded;PE_MPICH_NV_LIBS= ;export PE_MPICH_NV_LIBS;PE_MPICH_NV_LIBS_nvidia20=-lcudart ;export PE_MPICH_NV_LIBS_nvidia20;PE_MPICH_NV_LIBS_nvidia35=-lcudart ;export PE_MPICH_NV_LIBS_nvidia35;PE_MPICH_PKGCONFIG_LIBS=mpich ;export PE_MPICH_PKGCONFIG_LIBS;PE_MPICH_PKGCONFIG_VARIABLES=PE_MPICH_NV_LIBS_@accelerator@:PE_MPICH_MULTITHREADED_LIBS_@multithreaded@ ;export PE_MPICH_PKGCONFIG_VARIABLES;PE_MPICH_TARGET_VAR_nvidia20=-lcudart ;export PE_MPICH_TARGET_VAR_nvidia20;PE_MPICH_TARGET_VAR_nvidia35=-lcudart ;export PE_MPICH_TARGET_VAR_nvidia35;PE_MPICH_VOLATILE_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/mpich-@PRGENV@@PE_MPICH_DIR_DEFAULT64@/@PE_MPICH_GENCOMPS@/lib/pkgconfig ;export PE_MPICH_VOLATILE_PKGCONFIG_PATH;PE_MPICH_VOLATILE_PRGENV=CRAY\ GNU\ PGI ;export PE_MPICH_VOLATILE_PRGENV;PE_PKGCONFIG_LIBS=mpich: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.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/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-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2: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/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;MODULEPATH=/sw/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/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;PE_ACML_DEFAULT_DIR_CRAY=gfortran64 ;export PE_ACML_DEFAULT_DIR_CRAY;PE_ACML_DEFAULT_DIR_DEFAULT64=_int64 ;export PE_ACML_DEFAULT_DIR_DEFAULT64;PE_ACML_DEFAULT_DIR_GNU=gfortran64 ;export PE_ACML_DEFAULT_DIR_GNU;PE_ACML_DEFAULT_DIR_INTEL=ifort64 ;export PE_ACML_DEFAULT_DIR_INTEL;PE_ACML_DEFAULT_DIR_OPENMP=_mp ;export PE_ACML_DEFAULT_DIR_OPENMP;PE_ACML_DEFAULT_DIR_PGI=pgi64 ;export PE_ACML_DEFAULT_DIR_PGI;PE_ACML_DEFAULT_TARGET_interlagos=_fma4 ;export PE_ACML_DEFAULT_TARGET_interlagos;PE_ACML_DEFAULT_TARGET_x86_64= ;export PE_ACML_DEFAULT_TARGET_x86_64;PE_ACML_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/acml/5.3.1/@PE_ACML_DEFAULT_DIR@@PE_ACML_DEFAULT_TARGET@@PE_ACML_DEFAULT_DIR_OPENMP@@PE_ACML_DEFAULT_DIR_DEFAULT64@/lib/pkgconfig ;export PE_ACML_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_CRAY_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/parallel-netcdf/1.7.0/CRAY/8.3/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.4.0/CRAY/8.3/lib/pkgconfig:/opt/cray/netcdf/4.4.0/CRAY/8.3/lib/pkgconfig:/opt/cray/hdf5-parallel/1.8.16/CRAY/8.3/lib/pkgconfig:/opt/cray/hdf5/1.8.16/CRAY/8.3/lib/pkgconfig:/opt/cray/ga/5.3.0.6/CRAY/8.3/lib/pkgconfig ;export PE_CRAY_DEFAULT_FIXED_PKGCONFIG_PATH;PE_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_CXX_PKGCONFIG_LIBS;PE_ENV=GNU ;export PE_ENV;PE_FFTW_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_FFTW_DEFAULT_REQUIRED_PRODUCTS;PE_FFTW_DEFAULT_TARGET_broadwell=broadwell ;export PE_FFTW_DEFAULT_TARGET_broadwell;PE_FFTW_DEFAULT_TARGET_haswell=haswell ;export PE_FFTW_DEFAULT_TARGET_haswell;PE_FFTW_DEFAULT_TARGET_interlagos=interlagos ;export PE_FFTW_DEFAULT_TARGET_interlagos;PE_FFTW_DEFAULT_TARGET_mic_knl=mic_knl ;export PE_FFTW_DEFAULT_TARGET_mic_knl;PE_FFTW_DEFAULT_TARGET_sandybridge=sandybridge ;export PE_FFTW_DEFAULT_TARGET_sandybridge;PE_FFTW_DEFAULT_TARGET_x86_64=x86_64 ;export PE_FFTW_DEFAULT_TARGET_x86_64;PE_FFTW_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/fftw/3.3.4.7/@PE_FFTW_DEFAULT_TARGET@/lib/pkgconfig ;export PE_FFTW_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_FORTRAN_PKGCONFIG_LIBS;PE_GA_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_GA_DEFAULT_FIXED_PRGENV;PE_GA_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_GA_DEFAULT_GENCOMPILERS_GNU;PE_GA_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_GA_DEFAULT_GENCOMPS_GNU;PE_GA_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/ga/5.3.0.6/@PRGENV@/@PE_GA_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_GA_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_GA_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_GA_DEFAULT_VOLATILE_PRGENV;PE_HDF5_DEFAULT_FIXED_PRGENV=CRAY\ PGI ;export PE_HDF5_DEFAULT_FIXED_PRGENV;PE_HDF5_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_HDF5_DEFAULT_GENCOMPILERS_GNU;PE_HDF5_DEFAULT_GENCOMPILERS_INTEL=15.0\ 14.0 ;export PE_HDF5_DEFAULT_GENCOMPILERS_INTEL;PE_HDF5_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_HDF5_DEFAULT_GENCOMPS_GNU;PE_HDF5_DEFAULT_GENCOMPS_INTEL=150\ 140 ;export PE_HDF5_DEFAULT_GENCOMPS_INTEL;PE_HDF5_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_HDF5_DEFAULT_REQUIRED_PRODUCTS;PE_HDF5_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/hdf5/1.8.16/@PRGENV@/@PE_HDF5_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_HDF5_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_HDF5_DEFAULT_VOLATILE_PRGENV=GNU\ INTEL ;export PE_HDF5_DEFAULT_VOLATILE_PRGENV;PE_HDF5_PARALLEL_DEFAULT_FIXED_PRGENV=CRAY\ PGI ;export PE_HDF5_PARALLEL_DEFAULT_FIXED_PRGENV;PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_GNU;PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_INTEL=15.0\ 14.0 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_INTEL;PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_GNU;PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_INTEL=150\ 140 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_INTEL;PE_HDF5_PARALLEL_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_HDF5_PARALLEL_DEFAULT_REQUIRED_PRODUCTS;PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/hdf5-parallel/1.8.16/@PRGENV@/@PE_HDF5_PARALLEL_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PRGENV=GNU\ INTEL ;export PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PRGENV;PE_INTEL_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/mpich-intel/16.0/lib/pkgconfig:/opt/cray/parallel-netcdf/1.7.0/INTEL/15.0/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.4.0/INTEL/15.0/lib/pkgconfig:/opt/cray/netcdf/4.4.0/INTEL/15.0/lib/pkgconfig:/opt/cray/mpt/7.3.3/gni/mpich-intel/15.0/lib/pkgconfig:/opt/cray/ga/5.3.0.6/INTEL/15.0/lib/pkgconfig ;export PE_INTEL_DEFAULT_FIXED_PKGCONFIG_PATH;PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_GNU_x86_64=4.9 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPS_CRAY_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPS_GNU_x86_64=49 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPS_GNU_x86_64;PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia20=nv20 ;export PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia20;PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia35=nv35 ;export PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia35;PE_LIBSCI_ACC_DEFAULT_PKGCONFIG_VARIABLES=PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_@accelerator@ ;export PE_LIBSCI_ACC_DEFAULT_PKGCONFIG_VARIABLES;PE_LIBSCI_ACC_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_LIBSCI_ACC_DEFAULT_REQUIRED_PRODUCTS;PE_LIBSCI_ACC_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci_acc/16.03.1/@PRGENV@/@PE_LIBSCI_ACC_DEFAULT_GENCOMPS@/@PE_LIBSCI_ACC_DEFAULT_TARGET@/lib/pkgconfig ;export PE_LIBSCI_ACC_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_ACC_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU ;export PE_LIBSCI_ACC_DEFAULT_VOLATILE_PRGENV;PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_mic_knl=5.1 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_mic_knl=15.0 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_GNU_mic_knl=51 ;export PE_LIBSCI_DEFAULT_GENCOMPS_GNU_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_LIBSCI_DEFAULT_GENCOMPS_GNU_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_mic_knl=150 ;export PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_LIBSCI_DEFAULT_GENCOMPS_PGI_x86_64;PE_LIBSCI_DEFAULT_OMP_REQUIRES= ;export PE_LIBSCI_DEFAULT_OMP_REQUIRES;PE_LIBSCI_DEFAULT_OMP_REQUIRES_openmp=_mp ;export PE_LIBSCI_DEFAULT_OMP_REQUIRES_openmp;PE_LIBSCI_DEFAULT_PKGCONFIG_VARIABLES=PE_LIBSCI_DEFAULT_OMP_REQUIRES_@openmp@ ;export PE_LIBSCI_DEFAULT_PKGCONFIG_VARIABLES;PE_LIBSCI_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_LIBSCI_DEFAULT_REQUIRED_PRODUCTS;PE_LIBSCI_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci/16.03.1/@PRGENV@/@PE_LIBSCI_DEFAULT_GENCOMPS@/@PE_LIBSCI_DEFAULT_TARGET@/lib/pkgconfig ;export PE_LIBSCI_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU\ INTEL\ PGI ;export PE_LIBSCI_DEFAULT_VOLATILE_PRGENV;PE_LIBSCI_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_LIBSCI_GENCOMPILERS_CRAY_mic_knl;PE_LIBSCI_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_GENCOMPILERS_GNU_mic_knl=5.1 ;export PE_LIBSCI_GENCOMPILERS_GNU_mic_knl;PE_LIBSCI_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_LIBSCI_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_GENCOMPILERS_INTEL_mic_knl=15.0 ;export PE_LIBSCI_GENCOMPILERS_INTEL_mic_knl;PE_LIBSCI_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_LIBSCI_GENCOMPILERS_INTEL_x86_64;PE_LIBSCI_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_LIBSCI_GENCOMPILERS_PGI_x86_64;PE_LIBSCI_GENCOMPS_CRAY_mic_knl=85 ;export PE_LIBSCI_GENCOMPS_CRAY_mic_knl;PE_LIBSCI_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_GENCOMPS_CRAY_x86_64;PE_LIBSCI_GENCOMPS_GNU_mic_knl=51 ;export PE_LIBSCI_GENCOMPS_GNU_mic_knl;PE_LIBSCI_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_LIBSCI_GENCOMPS_GNU_x86_64;PE_LIBSCI_GENCOMPS_INTEL_mic_knl=150 ;export PE_LIBSCI_GENCOMPS_INTEL_mic_knl;PE_LIBSCI_GENCOMPS_INTEL_x86_64=150 ;export PE_LIBSCI_GENCOMPS_INTEL_x86_64;PE_LIBSCI_GENCOMPS_PGI_x86_64=153 ;export PE_LIBSCI_GENCOMPS_PGI_x86_64;PE_LIBSCI_MODULE_NAME=cray-libsci/16.03.1 ;export PE_LIBSCI_MODULE_NAME;PE_LIBSCI_OMP_REQUIRES= ;export PE_LIBSCI_OMP_REQUIRES;PE_LIBSCI_OMP_REQUIRES_openmp=_mp ;export PE_LIBSCI_OMP_REQUIRES_openmp;PE_LIBSCI_PKGCONFIG_LIBS=libsci_mpi:libsci ;export PE_LIBSCI_PKGCONFIG_LIBS;PE_LIBSCI_PKGCONFIG_VARIABLES=PE_LIBSCI_OMP_REQUIRES_@openmp@ ;export PE_LIBSCI_PKGCONFIG_VARIABLES;PE_LIBSCI_REQUIRED_PRODUCTS=PE_MPICH ;export PE_LIBSCI_REQUIRED_PRODUCTS;PE_LIBSCI_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci/16.03.1/@PRGENV@/@PE_LIBSCI_GENCOMPS@/@PE_LIBSCI_TARGET@/lib/pkgconfig ;export PE_LIBSCI_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_VOLATILE_PRGENV=CRAY\ GNU\ INTEL\ PGI ;export PE_LIBSCI_VOLATILE_PRGENV;PE_MPICH_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_MPICH_CXX_PKGCONFIG_LIBS;PE_MPICH_DEFAULT_DIR_CRAY_DEFAULT64=64 ;export PE_MPICH_DEFAULT_DIR_CRAY_DEFAULT64;PE_MPICH_DEFAULT_DIR_PGI_DEFAULT64=64 ;export PE_MPICH_DEFAULT_DIR_PGI_DEFAULT64;PE_MPICH_DEFAULT_FIXED_PRGENV=INTEL ;export PE_MPICH_DEFAULT_FIXED_PRGENV;PE_MPICH_DEFAULT_GENCOMPILERS_CRAY=8.3 ;export PE_MPICH_DEFAULT_GENCOMPILERS_CRAY;PE_MPICH_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_MPICH_DEFAULT_GENCOMPILERS_GNU;PE_MPICH_DEFAULT_GENCOMPILERS_PGI=15.3 ;export PE_MPICH_DEFAULT_GENCOMPILERS_PGI;PE_MPICH_DEFAULT_GENCOMPS_CRAY=83 ;export PE_MPICH_DEFAULT_GENCOMPS_CRAY;PE_MPICH_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_MPICH_DEFAULT_GENCOMPS_GNU;PE_MPICH_DEFAULT_GENCOMPS_PGI=153 ;export PE_MPICH_DEFAULT_GENCOMPS_PGI;PE_MPICH_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/mpt/7.3.3/gni/mpich-@PRGENV@@PE_MPICH_DEFAULT_DIR_DEFAULT64@/@PE_MPICH_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_MPICH_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_MPICH_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU\ PGI ;export PE_MPICH_DEFAULT_VOLATILE_PRGENV;PE_MPICH_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_MPICH_FORTRAN_PKGCONFIG_LIBS;PE_MPICH_MODULE_NAME=cray-mpich ;export PE_MPICH_MODULE_NAME;PE_MPICH_MULTITHREADED_LIBS_multithreaded=_mt ;export PE_MPICH_MULTITHREADED_LIBS_multithreaded;PE_MPICH_NV_LIBS= ;export PE_MPICH_NV_LIBS;PE_MPICH_NV_LIBS_nvidia20=-lcudart ;export PE_MPICH_NV_LIBS_nvidia20;PE_MPICH_NV_LIBS_nvidia35=-lcudart ;export PE_MPICH_NV_LIBS_nvidia35;PE_MPICH_PKGCONFIG_LIBS=mpich ;export PE_MPICH_PKGCONFIG_LIBS;PE_MPICH_PKGCONFIG_VARIABLES=PE_MPICH_NV_LIBS_@accelerator@:PE_MPICH_MULTITHREADED_LIBS_@multithreaded@ ;export PE_MPICH_PKGCONFIG_VARIABLES;PE_MPICH_TARGET_VAR_nvidia20=-lcudart ;export PE_MPICH_TARGET_VAR_nvidia20;PE_MPICH_TARGET_VAR_nvidia35=-lcudart ;export PE_MPICH_TARGET_VAR_nvidia35;PE_NETCDF_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_NETCDF_DEFAULT_FIXED_PRGENV;PE_NETCDF_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_NETCDF_DEFAULT_GENCOMPILERS_GNU;PE_NETCDF_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_NETCDF_DEFAULT_GENCOMPS_GNU;PE_NETCDF_DEFAULT_REQUIRED_PRODUCTS=PE_HDF5 ;export PE_NETCDF_DEFAULT_REQUIRED_PRODUCTS;PE_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/netcdf/4.4.0/@PRGENV@/@PE_NETCDF_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_NETCDF_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_NETCDF_DEFAULT_VOLATILE_PRGENV;PE_NETCDF_HDF5PARALLEL_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_FIXED_PRGENV;PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPILERS_GNU;PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPS_GNU;PE_NETCDF_HDF5PARALLEL_DEFAULT_REQUIRED_PRODUCTS=PE_HDF5_PARALLEL:PE_MPICH ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_REQUIRED_PRODUCTS;PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/netcdf-hdf5parallel/4.4.0/@PRGENV@/@PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PRGENV;PE_PAPI_DEFAULT_ACCEL_LIBS= ;export PE_PAPI_DEFAULT_ACCEL_LIBS;PE_PAPI_DEFAULT_ACCEL_LIBS_nvidia35=,-lcupti,-lcudart,-lcuda ;export PE_PAPI_DEFAULT_ACCEL_LIBS_nvidia35;PE_PAPI_DEFAULT_PKGCONFIG_VARIABLES=PE_PAPI_ACCEL_LIBS_@accelerator@ ;export PE_PAPI_DEFAULT_PKGCONFIG_VARIABLES;PE_PAPI_DEFAULT_TARGET_VAR_nvidia35=,-lcupti,-lcudart,-lcuda ;export PE_PAPI_DEFAULT_TARGET_VAR_nvidia35;PE_PARALLEL_NETCDF_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_PARALLEL_NETCDF_DEFAULT_FIXED_PRGENV;PE_PARALLEL_NETCDF_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_PARALLEL_NETCDF_DEFAULT_GENCOMPILERS_GNU;PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS_GNU;PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/parallel-netcdf/1.7.0/@PRGENV@/@PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PRGENV;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_PETSC_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_haswell;PE_PETSC_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_interlagos;PE_PETSC_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_PETSC_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_x86_64;PE_PETSC_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_haswell;PE_PETSC_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_interlagos;PE_PETSC_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_x86_64;PE_PETSC_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_haswell;PE_PETSC_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_interlagos;PE_PETSC_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_x86_64;PE_PETSC_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_PETSC_DEFAULT_GENCOMPS_PGI_interlagos;PE_PETSC_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_PETSC_DEFAULT_GENCOMPS_PGI_x86_64;PE_PETSC_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI:PE_HDF5_PARALLEL:PE_TPSL ;export PE_PETSC_DEFAULT_REQUIRED_PRODUCTS;PE_PETSC_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/petsc/3.6.3.0/complex/@PRGENV@/@PE_PETSC_DEFAULT_GENCOMPS@/@PE_PETSC_DEFAULT_TARGET@/lib/pkgconfig ;export PE_PETSC_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_PETSC_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_PETSC_DEFAULT_VOLATILE_PRGENV;PE_PGI_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/parallel-netcdf/1.7.0/PGI/15.3/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.4.0/PGI/15.3/lib/pkgconfig:/opt/cray/netcdf/4.4.0/PGI/15.3/lib/pkgconfig:/opt/cray/hdf5-parallel/1.8.16/PGI/15.3/lib/pkgconfig:/opt/cray/hdf5/1.8.16/PGI/15.3/lib/pkgconfig:/opt/cray/ga/5.3.0.6/PGI/15.3/lib/pkgconfig ;export PE_PGI_DEFAULT_FIXED_PKGCONFIG_PATH;PE_PKGCONFIG_DEFAULT_PRODUCTS=PE_TRILINOS:PE_TPSL_64:PE_TPSL:PE_PETSC:PE_PARALLEL_NETCDF:PE_NETCDF_HDF5PARALLEL:PE_NETCDF:PE_MPICH:PE_LIBSCI_ACC:PE_LIBSCI:PE_HDF5_PARALLEL:PE_HDF5:PE_GA:PE_FFTW:PE_ACML ;export PE_PKGCONFIG_DEFAULT_PRODUCTS;PE_PKGCONFIG_LIBS=AtpSigHandler:cray-rca:libsci_mpi:libsci: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_TRILINOS_DEFAULT_GENCOMPILERmodule 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
bash: line 26: cd: /var/lib/jenkins/rmg-spp: No such file or directory
wget http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz
--2017-02-15 14:18:23--  http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz
Resolving downloads.sourceforge.net... 216.34.181.59
Connecting to downloads.sourceforge.net|216.34.181.59|:80... connected.
HTTP request sent, awaiting response... 302 Found
Location: https://superb-sea2.dl.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz [following]
--2017-02-15 14:18:23--  https://superb-sea2.dl.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz
Resolving superb-sea2.dl.sourceforge.net... 209.160.57.180
Connecting to superb-sea2.dl.sourceforge.net|209.160.57.180|:443... connected.
HTTP request sent, awaiting response... 200 OK
Length: 20509105 (20M) [application/x-gzip]
Saving to: `openbabel-2.3.2.tar.gz.4'

     0K .......... .......... .......... .......... ..........  0%  117K 2m50s
    50K .......... .......... .......... .......... .....S_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-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/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-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2: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/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;PATH=/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/gcc/4.9.3/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/craype/2.5.4/bin:/sw/tools/bin:/sw/tools/bin:/sw/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/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/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-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2: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-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/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-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2: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/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/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-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2: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/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;PATH=/opt/cray/fftw/3.3.4.7/interlagos/bin:/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/gcc/4.9.3/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/craype/2.5.4/bin:/sw/tools/bin:/sw/tools/bin:/sw/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/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;PE_FFTW_REQUIRED_PRODUCTS=PE_MPICH ;export PE_FFTW_REQUIRED_PRODUCTS;PE_FFTW_TARGET_broadwell=broadwell ;export PE_FFTW_TARGET_broadwell;PE_FFTW_TARGET_haswell=haswell ;export PE_FFTW_TARGET_haswell;PE_FFTW_TARGET_interlagos=interlagos ;export PE_FFTW_TARGET_interlagos;PE_FFTW_TARGET_mic_knl=mic_knl ;export PE_FFTW_TARGET_mic_knl;PE_FFTW_TARGET_sandybridge=sandybridge ;export PE_FFTW_TARGET_sandybridge;PE_FFTW_TARGET_x86_64=x86_64 ;export PE_FFTW_TARGET_x86_64;PE_FFTW_VOLATILE_PKGCONFIG_PATH=/opt/cray/fftw/3.3.4.7/@PE_FFTW_TARGET@/lib/pkgconfig ;export PE_FFTW_VOLATILE_PKGCONFIG_PATH;PE_PKGCONFIG_LIBS=fftw3f_mpi:fftw3f_threads:fftw3f:fftw3_mpi:fftw3_threads:fftw3:AtpSigHandler:cray-rca:libsci_mpi:libsci: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-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/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_;
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2017-02-15 14:18:27 (6.23 MB/s) - `openbabel-2.3.2.tar.gz.4' saved [20509105/20509105]

tar zxvf openbabel-2.3.2.tar.gz
openbabel-2.3.2/
openbabel-2.3.2/AUTHORS
openbabel-2.3.2/ChangeLog
openbabel-2.3.2/ChangeLog.1.x
openbabel-2.3.2/cmake/
openbabel-2.3.2/CMakeLists.txt
openbabel-2.3.2/COPYING
openbabel-2.3.2/CTestConfig.cmake
openbabel-2.3.2/data/
openbabel-2.3.2/doc/
openbabel-2.3.2/Doxyfile
openbabel-2.3.2/include/
openbabel-2.3.2/INSTALL
openbabel-2.3.2/NEWS
openbabel-2.3.2/openbabel-2.0.pc.cmake
openbabel-2.3.2/OpenBabel2Config.cmake.in
openbabel-2.3.2/OpenBabel2ConfigVersion.cmake.in
openbabel-2.3.2/README
openbabel-2.3.2/scripts/
openbabel-2.3.2/src/
openbabel-2.3.2/test/
openbabel-2.3.2/THANKS
openbabel-2.3.2/tools/
openbabel-2.3.2/windows-vc2008/
openbabel-2.3.2/windows-vc2008/default_build.bat
openbabel-2.3.2/windows-vc2008/Distribution/
openbabel-2.3.2/windows-vc2008/include/
openbabel-2.3.2/windows-vc2008/libs/
openbabel-2.3.2/windows-vc2008/minimal_build.bat
openbabel-2.3.2/windows-vc2008/obdepict.bat
openbabel-2.3.2/windows-vc2008/sdf.bat
openbabel-2.3.2/windows-vc2008/x64_default_build.bat
openbabel-2.3.2/windows-vc2008/libs/i386/
openbabel-2.3.2/windows-vc2008/libs/x64/
openbabel-2.3.2/windows-vc2008/libs/x64/env.bat
openbabel-2.3.2/windows-vc2008/libs/x64/libiconv.dll
openbabel-2.3.2/windows-vc2008/libs/x64/libinchi.dll
openbabel-2.3.2/windows-vc2008/libs/x64/libinchi.lib
openbabel-2.3.2/windows-vc2008/libs/x64/libxml2.dll
openbabel-2.3.2/windows-vc2008/libs/x64/libxml2.lib
openbabel-2.3.2/windows-vc2008/libs/x64/readme.txt
openbabel-2.3.2/windows-vc2008/libs/x64/zlib1.dll
openbabel-2.3.2/windows-vc2008/libs/x64/zlib1.lib
openbabel-2.3.2/windows-vc2008/libs/i386/cairo.lib
openbabel-2.3.2/windows-vc2008/libs/i386/env.bat
openbabel-2.3.2/windows-vc2008/libs/i386/freetype6.dll
openbabel-2.3.2/windows-vc2008/libs/i386/iconv.dll
openbabel-2.3.2/windows-vc2008/libs/i386/libcairo-2.dll
openbabel-2.3.2/windows-vc2008/libs/i386/libexpat-1.dll
openbabel-2.3.2/windows-vc2008/libs/i386/libfontconfig-1.dll
openbabel-2.3.2/windows-vc2008/libs/i386/libinchi.dll
openbabel-2.3.2/windows-vc2008/libs/i386/libinchi.lib
openbabel-2.3.2/windows-vc2008/libs/i386/libpng14-14.dll
openbabel-2.3.2/windows-vc2008/libs/i386/libxml2.dll
openbabel-2.3.2/windows-vc2008/libs/i386/libxml2.lib
openbabel-2.3.2/windows-vc2008/libs/i386/readme.txt
openbabel-2.3.2/windows-vc2008/libs/i386/xdr-0.dll
openbabel-2.3.2/windows-vc2008/libs/i386/xdr.lib
openbabel-2.3.2/windows-vc2008/libs/i386/zlib1.dll
openbabel-2.3.2/windows-vc2008/libs/i386/zlib1.lib
openbabel-2.3.2/windows-vc2008/include/cairo/
openbabel-2.3.2/windows-vc2008/include/inttypes.h
openbabel-2.3.2/windows-vc2008/include/rpc/
openbabel-2.3.2/windows-vc2008/include/stdint.h
openbabel-2.3.2/windows-vc2008/include/rpc/types.h
openbabel-2.3.2/windows-vc2008/include/rpc/xdr.h
openbabel-2.3.2/windows-vc2008/include/cairo/cairo-deprecated.h
openbabel-2.3.2/windows-vc2008/include/cairo/cairo-features.h
openbabel-2.3.2/windows-vc2008/include/cairo/cairo-ft.h
openbabel-2.3.2/windows-vc2008/include/cairo/cairo-gobject.h
openbabel-2.3.2/windows-vc2008/include/cairo/cairo-pdf.h
openbabel-2.3.2/windows-vc2008/include/cairo/cairo-ps.h
openbabel-2.3.2/windows-vc2008/include/cairo/cairo-script-interpreter.h
openbabel-2.3.2/windows-vc2008/include/cairo/cairo-svg.h
openbabel-2.3.2/windows-vc2008/include/cairo/cairo-version.h
openbabel-2.3.2/windows-vc2008/include/cairo/cairo-win32.h
openbabel-2.3.2/windows-vc2008/include/cairo/cairo.h
openbabel-2.3.2/windows-vc2008/Distribution/ExampleFiles/
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openbabel-2.3.2/windows-vc2008/Distribution/NSISScriptToCreateInstaller.nsi
openbabel-2.3.2/windows-vc2008/Distribution/obdotnet.snk
openbabel-2.3.2/windows-vc2008/Distribution/OBDotNetAssemblyInfo.cs
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openbabel-2.3.2/src/formats/xml/cdxmlformat.cpp
openbabel-2.3.2/src/formats/xml/cmlformat.cpp
openbabel-2.3.2/src/formats/xml/cmlreactformat.cpp
openbabel-2.3.2/src/formats/xml/iconv.h
openbabel-2.3.2/src/formats/xml/pubchem.cpp
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openbabel-2.3.2/src/formats/xml/xmlformat.cpp
openbabel-2.3.2/src/formats/libinchi/CMakeLists.txt
openbabel-2.3.2/src/formats/libinchi/ichi_bns.c
openbabel-2.3.2/src/formats/libinchi/ichi_io.c
openbabel-2.3.2/src/formats/libinchi/ichican2.c
openbabel-2.3.2/src/formats/libinchi/ichicano.c
openbabel-2.3.2/src/formats/libinchi/ichicans.c
openbabel-2.3.2/src/formats/libinchi/ichiisot.c
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openbabel-2.3.2/src/formats/libinchi/ichimak2.c
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openbabel-2.3.2/src/formats/libinchi/sha2.c
openbabel-2.3.2/src/formats/libinchi/strutil.c
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openbabel-2.3.2/src/depict/svgpainter.cpp
openbabel-2.3.2/src/charges/eem.cpp
openbabel-2.3.2/src/charges/gasteiger.cpp
openbabel-2.3.2/src/charges/mmff94.cpp
openbabel-2.3.2/src/charges/none.cpp
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openbabel-2.3.2/src/charges/qeq.h
openbabel-2.3.2/src/charges/qtpie.cpp
openbabel-2.3.2/src/charges/qtpie.h
openbabel-2.3.2/scripts/CMakeLists.txt
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openbabel-2.3.2/scripts/python/examples/testpybel.py
openbabel-2.3.2/scripts/python/examples/testpybel.pyc
openbabel-2.3.2/scripts/python/examples/wgtRotorSrch.py
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openbabel-2.3.2/doc/API/html/search/all_74.html
openbabel-2.3.2/doc/API/html/search/all_75.html
openbabel-2.3.2/doc/API/html/search/all_76.html
openbabel-2.3.2/doc/API/html/search/all_77.html
openbabel-2.3.2/doc/API/html/search/all_78.html
openbabel-2.3.2/doc/API/html/search/all_79.html
openbabel-2.3.2/doc/API/html/search/all_7a.html
openbabel-2.3.2/doc/API/html/search/all_7e.html
openbabel-2.3.2/doc/API/html/search/classes_5f.html
openbabel-2.3.2/doc/API/html/search/classes_61.html
openbabel-2.3.2/doc/API/html/search/classes_62.html
openbabel-2.3.2/doc/API/html/search/classes_63.html
openbabel-2.3.2/doc/API/html/search/classes_64.html
openbabel-2.3.2/doc/API/html/search/classes_65.html
openbabel-2.3.2/doc/API/html/search/classes_66.html
openbabel-2.3.2/doc/API/html/search/classes_67.html
openbabel-2.3.2/doc/API/html/search/classes_69.html
openbabel-2.3.2/doc/API/html/search/classes_6c.html
openbabel-2.3.2/doc/API/html/search/classes_6d.html
openbabel-2.3.2/doc/API/html/search/classes_6f.html
openbabel-2.3.2/doc/API/html/search/classes_70.html
openbabel-2.3.2/doc/API/html/search/classes_71.html
openbabel-2.3.2/doc/API/html/search/classes_72.html
openbabel-2.3.2/doc/API/html/search/classes_73.html
cd openbabel-2.3.2/
mkdir build
mkdir: cannot create directory `build': File exists
cd build/
cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/openbabel-2.3.2/install ..
openbabel-2.3.2/doc/API/html/search/classes_74.html
openbabel-2.3.2/doc/API/html/search/classes_76.html
openbabel-2.3.2/doc/API/html/search/classes_78.html
openbabel-2.3.2/doc/API/html/search/close.png
openbabel-2.3.2/doc/API/html/search/defines_61.html
openbabel-2.3.2/doc/API/html/search/defines_62.html
openbabel-2.3.2/doc/API/html/search/defines_63.html
openbabel-2.3.2/doc/API/html/search/defines_64.html
openbabel-2.3.2/doc/API/html/search/defines_65.html
openbabel-2.3.2/doc/API/html/search/defines_66.html
openbabel-2.3.2/doc/API/html/search/defines_68.html
openbabel-2.3.2/doc/API/html/search/defines_69.html
openbabel-2.3.2/doc/API/html/search/defines_6b.html
openbabel-2.3.2/doc/API/html/search/defines_6c.html
openbabel-2.3.2/doc/API/html/search/defines_6d.html
openbabel-2.3.2/doc/API/html/search/defines_6e.html
openbabel-2.3.2/doc/API/html/search/defines_6f.html
openbabel-2.3.2/doc/API/html/search/defines_70.html
openbabel-2.3.2/doc/API/html/search/defines_72.html
openbabel-2.3.2/doc/API/html/search/defines_73.html
openbabel-2.3.2/doc/API/html/search/defines_74.html
openbabel-2.3.2/doc/API/html/search/defines_75.html
openbabel-2.3.2/doc/API/html/search/defines_76.html
openbabel-2.3.2/doc/API/html/search/defines_77.html
openbabel-2.3.2/doc/API/html/search/defines_7a.html
openbabel-2.3.2/doc/API/html/search/enums_61.html
openbabel-2.3.2/doc/API/html/search/enums_62.html
openbabel-2.3.2/doc/API/html/search/enums_63.html
openbabel-2.3.2/doc/API/html/search/enums_64.html
openbabel-2.3.2/doc/API/html/search/enums_65.html
openbabel-2.3.2/doc/API/html/search/enums_66.html
openbabel-2.3.2/doc/API/html/search/enums_6c.html
openbabel-2.3.2/doc/API/html/search/enums_6d.html
openbabel-2.3.2/doc/API/html/search/enums_6e.html
openbabel-2.3.2/doc/API/html/search/enums_6f.html
openbabel-2.3.2/doc/API/html/search/enums_70.html
openbabel-2.3.2/doc/API/html/search/enums_72.html
openbabel-2.3.2/doc/API/html/search/enums_73.html
openbabel-2.3.2/doc/API/html/search/enums_74.html
openbabel-2.3.2/doc/API/html/search/enums_75.html
openbabel-2.3.2/doc/API/html/search/enums_76.html
openbabel-2.3.2/doc/API/html/search/enums_77.html
openbabel-2.3.2/doc/API/html/search/enumvalues_5f.html
openbabel-2.3.2/doc/API/html/search/enumvalues_61.html
openbabel-2.3.2/doc/API/html/search/enumvalues_62.html
openbabel-2.3.2/doc/API/html/search/enumvalues_63.html
openbabel-2.3.2/doc/API/html/search/enumvalues_64.html
openbabel-2.3.2/doc/API/html/search/enumvalues_65.html
openbabel-2.3.2/doc/API/html/search/enumvalues_66.html
openbabel-2.3.2/doc/API/html/search/enumvalues_67.html
openbabel-2.3.2/doc/API/html/search/enumvalues_68.html
openbabel-2.3.2/doc/API/html/search/enumvalues_69.html
openbabel-2.3.2/doc/API/html/search/enumvalues_6c.html
openbabel-2.3.2/doc/API/html/search/enumvalues_6d.html
openbabel-2.3.2/doc/API/html/search/enumvalues_6e.html
openbabel-2.3.2/doc/API/html/search/enumvalues_6f.html
openbabel-2.3.2/doc/API/html/search/enumvalues_70.html
openbabel-2.3.2/doc/API/html/search/enumvalues_72.html
openbabel-2.3.2/doc/API/html/search/enumvalues_73.html
openbabel-2.3.2/doc/API/html/search/enumvalues_74.html
openbabel-2.3.2/doc/API/html/search/enumvalues_75.html
openbabel-2.3.2/doc/API/html/search/enumvalues_76.html
openbabel-2.3.2/doc/API/html/search/enumvalues_77.html
openbabel-2.3.2/doc/API/html/search/enumvalues_79.html
openbabel-2.3.2/doc/API/html/search/files_61.html
openbabel-2.3.2/doc/API/html/search/files_62.html
openbabel-2.3.2/doc/API/html/search/files_63.html
openbabel-2.3.2/doc/API/html/search/files_64.html
openbabel-2.3.2/doc/API/html/search/files_65.html
openbabel-2.3.2/doc/API/html/search/files_66.html
openbabel-2.3.2/doc/API/html/search/files_67.html
openbabel-2.3.2/doc/API/html/search/files_69.html
openbabel-2.3.2/doc/API/html/search/files_6b.html
openbabel-2.3.2/doc/API/html/search/files_6c.html
openbabel-2.3.2/doc/API/html/search/files_6d.html
openbabel-2.3.2/doc/API/html/search/files_6f.html
openbabel-2.3.2/doc/API/html/search/files_70.html
openbabel-2.3.2/doc/API/html/search/files_71.html
openbabel-2.3.2/doc/API/html/search/files_72.html
openbabel-2.3.2/doc/API/html/search/files_73.html
openbabel-2.3.2/doc/API/html/search/files_74.html
openbabel-2.3.2/doc/API/html/search/files_76.html
openbabel-2.3.2/doc/API/html/search/files_78.html
openbabel-2.3.2/doc/API/html/search/functions_5f.html
openbabel-2.3.2/doc/API/html/search/functions_61.html
openbabel-2.3.2/doc/API/html/search/functions_62.html
openbabel-2.3.2/doc/API/html/search/functions_63.html
openbabel-2.3.2/doc/API/html/search/functions_64.html
openbabel-2.3.2/doc/API/html/search/functions_65.html
openbabel-2.3.2/doc/API/html/search/functions_66.html
openbabel-2.3.2/doc/API/html/search/functions_67.html
openbabel-2.3.2/doc/API/html/search/functions_68.html
openbabel-2.3.2/doc/API/html/search/functions_69.html
openbabel-2.3.2/doc/API/html/search/functions_6a.html
openbabel-2.3.2/doc/API/html/search/functions_6b.html
openbabel-2.3.2/doc/API/html/search/functions_6c.html
openbabel-2.3.2/doc/API/html/search/functions_6d.html
openbabel-2.3.2/doc/API/html/search/functions_6e.html
openbabel-2.3.2/doc/API/html/search/functions_6f.html
openbabel-2.3.2/doc/API/html/search/functions_70.html
openbabel-2.3.2/doc/API/html/search/functions_71.html
openbabel-2.3.2/doc/API/html/search/functions_72.html
openbabel-2.3.2/doc/API/html/search/functions_73.html
openbabel-2.3.2/doc/API/html/search/functions_74.html
openbabel-2.3.2/doc/API/html/search/functions_75.html
openbabel-2.3.2/doc/API/html/search/functions_76.html
openbabel-2.3.2/doc/API/html/search/functions_77.html
openbabel-2.3.2/doc/API/html/search/functions_78.html
openbabel-2.3.2/doc/API/html/search/functions_79.html
openbabel-2.3.2/doc/API/html/search/functions_7a.html
openbabel-2.3.2/doc/API/html/search/functions_7e.html
openbabel-2.3.2/doc/API/html/search/mag_sel.png
openbabel-2.3.2/doc/API/html/search/namespaces_62.html
openbabel-2.3.2/doc/API/html/search/namespaces_6f.html
openbabel-2.3.2/doc/API/html/search/namespaces_73.html
openbabel-2.3.2/doc/API/html/search/namespaces_74.html
openbabel-2.3.2/doc/API/html/search/nomatches.html
openbabel-2.3.2/doc/API/html/search/related_6f.html
openbabel-2.3.2/doc/API/html/search/search.css
openbabel-2.3.2/doc/API/html/search/search.js
openbabel-2.3.2/doc/API/html/search/search_l.png
openbabel-2.3.2/doc/API/html/search/search_m.png
openbabel-2.3.2/doc/API/html/search/search_r.png
openbabel-2.3.2/doc/API/html/search/typedefs_61.html
openbabel-2.3.2/doc/API/html/search/typedefs_62.html
openbabel-2.3.2/doc/API/html/search/typedefs_63.html
openbabel-2.3.2/doc/API/html/search/typedefs_64.html
openbabel-2.3.2/doc/API/html/search/typedefs_65.html
openbabel-2.3.2/doc/API/html/search/typedefs_66.html
openbabel-2.3.2/doc/API/html/search/typedefs_69.html
openbabel-2.3.2/doc/API/html/search/typedefs_6b.html
openbabel-2.3.2/doc/API/html/search/typedefs_6c.html
openbabel-2.3.2/doc/API/html/search/typedefs_6d.html
openbabel-2.3.2/doc/API/html/search/typedefs_6e.html
openbabel-2.3.2/doc/API/html/search/typedefs_6f.html
openbabel-2.3.2/doc/API/html/search/typedefs_70.html
openbabel-2.3.2/doc/API/html/search/typedefs_72.html
openbabel-2.3.2/doc/API/html/search/typedefs_73.html
openbabel-2.3.2/doc/API/html/search/typedefs_74.html
openbabel-2.3.2/doc/API/html/search/typedefs_76.html
openbabel-2.3.2/doc/API/html/search/typedefs_77.html
openbabel-2.3.2/doc/API/html/search/variables_5f.html
openbabel-2.3.2/doc/API/html/search/variables_61.html
openbabel-2.3.2/doc/API/html/search/variables_62.html
openbabel-2.3.2/doc/API/html/search/variables_63.html
openbabel-2.3.2/doc/API/html/search/variables_64.html
openbabel-2.3.2/doc/API/html/search/variables_65.html
openbabel-2.3.2/doc/API/html/search/variables_66.html
openbabel-2.3.2/doc/API/html/search/variables_67.html
openbabel-2.3.2/doc/API/html/search/variables_68.html
openbabel-2.3.2/doc/API/html/search/variables_69.html
openbabel-2.3.2/doc/API/html/search/variables_6c.html
openbabel-2.3.2/doc/API/html/search/variables_6d.html
openbabel-2.3.2/doc/API/html/search/variables_6e.html
openbabel-2.3.2/doc/API/html/search/variables_6f.html
openbabel-2.3.2/doc/API/html/search/variables_70.html
openbabel-2.3.2/doc/API/html/search/variables_71.html
openbabel-2.3.2/doc/API/html/search/variables_72.html
openbabel-2.3.2/doc/API/html/search/variables_73.html
openbabel-2.3.2/doc/API/html/search/variables_74.html
openbabel-2.3.2/doc/API/html/search/variables_76.html
openbabel-2.3.2/doc/API/html/search/variables_77.html
openbabel-2.3.2/doc/API/html/search/variables_78.html
openbabel-2.3.2/doc/API/html/search/variables_79.html
openbabel-2.3.2/doc/API/html/search/variables_7a.html
openbabel-2.3.2/data/aromatic.h
openbabel-2.3.2/data/aromatic.txt
openbabel-2.3.2/data/atomtyp.h
openbabel-2.3.2/data/atomtyp.txt
openbabel-2.3.2/data/babel_povray3.inc
openbabel-2.3.2/data/bin2hex.pl
openbabel-2.3.2/data/bondtyp.h
openbabel-2.3.2/data/bondtyp.txt
openbabel-2.3.2/data/CMakeLists.txt
openbabel-2.3.2/data/element.h
openbabel-2.3.2/data/element.txt
openbabel-2.3.2/data/fragments.txt
openbabel-2.3.2/data/gaff.dat
openbabel-2.3.2/data/gaff.prm
openbabel-2.3.2/data/genheaders.sh
openbabel-2.3.2/data/ghemical.prm
openbabel-2.3.2/data/isotope-small.txt
openbabel-2.3.2/data/isotope.h
openbabel-2.3.2/data/isotope.txt
openbabel-2.3.2/data/logp.txt
openbabel-2.3.2/data/MACCS.txt
openbabel-2.3.2/data/mm2.prm
openbabel-2.3.2/data/mmff94.ff
openbabel-2.3.2/data/mmff94s.ff
openbabel-2.3.2/data/mmffang.par
openbabel-2.3.2/data/mmffbndk.par
openbabel-2.3.2/data/mmffbond.par
openbabel-2.3.2/data/mmffchg.par
openbabel-2.3.2/data/mmffdef.par
openbabel-2.3.2/data/mmffdfsb.par
openbabel-2.3.2/data/mmffoop.par
openbabel-2.3.2/data/mmffpbci.par
openbabel-2.3.2/data/mmffprop.par
openbabel-2.3.2/data/mmffs_oop.par
openbabel-2.3.2/data/mmffs_tor.par
openbabel-2.3.2/data/mmffstbn.par
openbabel-2.3.2/data/mmfftor.par
openbabel-2.3.2/data/mmffvdw.par
openbabel-2.3.2/data/mpC.txt
openbabel-2.3.2/data/mr.txt
openbabel-2.3.2/data/patterns.txt
openbabel-2.3.2/data/phmodel.txt
openbabel-2.3.2/data/phmodeldata.h
openbabel-2.3.2/data/plugindefines.txt
openbabel-2.3.2/data/psa.txt
openbabel-2.3.2/data/qeq.txt
openbabel-2.3.2/data/resdata.h
openbabel-2.3.2/data/resdata.txt
openbabel-2.3.2/data/ringtyp.txt
openbabel-2.3.2/data/SMARTS_InteLigand.txt
openbabel-2.3.2/data/space-groups.txt
openbabel-2.3.2/data/space-groups.xsl
openbabel-2.3.2/data/splash.png
openbabel-2.3.2/data/superatom.txt
openbabel-2.3.2/data/svgformat.script
openbabel-2.3.2/data/templates.sdf
openbabel-2.3.2/data/torlib.h
openbabel-2.3.2/data/torlib.txt
openbabel-2.3.2/data/types.h
openbabel-2.3.2/data/types.txt
openbabel-2.3.2/data/UFF.prm
openbabel-2.3.2/cmake/modules/
openbabel-2.3.2/cmake/modules/FindCairo.cmake
openbabel-2.3.2/cmake/modules/FindEigen2.cmake
openbabel-2.3.2/cmake/modules/FindEigen3.cmake
openbabel-2.3.2/cmake/modules/FindInchi.cmake
openbabel-2.3.2/cmake/modules/MacroEnsureVersion.cmake
openbabel-2.3.2/cmake/modules/UsePythonTest.cmake
-- Using included inchi library.
-- Could NOT find wxWidgets (missing:  wxWidgets_FOUND) 
-- Could NOT find Eigen3 (missing:  EIGEN3_INCLUDE_DIR EIGEN3_VERSION_OK) (Required is at least version "2.91.0")
-- Could NOT find Eigen2 (missing:  EIGEN2_INCLUDE_DIR EIGEN2_VERSION_OK) (Required is at least version "2.0.0")
-- Cairo found. PNG output will be supported.
CMake Warning (dev) at test/CMakeLists.txt:171 (include):
  Syntax Warning in cmake code at

    /mnt/a/u/system/bwjenkins/openbabel-2.3.2/cmake/modules/UsePythonTest.cmake:54:14

  Argument not separated from preceding token by whitespace.
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at test/CMakeLists.txt:171 (include):
  Syntax Warning in cmake code at

    /mnt/a/u/system/bwjenkins/openbabel-2.3.2/cmake/modules/UsePythonTest.cmake:54:31

  Argument not separated from preceding token by whitespace.
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at test/CMakeLists.txt:171 (include):
  Syntax Warning in cmake code at

    /mnt/a/u/system/bwjenkins/openbabel-2.3.2/cmake/modules/UsePythonTest.cmake:57:25

  Argument not separated from preceding token by whitespace.
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at test/CMakeLists.txt:171 (include):
  Syntax Warning in cmake code at

    /mnt/a/u/system/bwjenkins/openbabel-2.3.2/cmake/modules/UsePythonTest.cmake:57:39

  Argument not separated from preceding token by whitespace.
This warning is for project developers.  Use -Wno-dev to suppress it.

-- Attempting to build the GUI
--    wxWidgets not found => GUI will not be built
CMake Warning (dev) at cmake/modules/UsePythonTest.cmake:37 (FILE):
  Policy CMP0053 is not set: Simplify variable reference and escape sequence
  evaluation.  Run "cmake --help-policy CMP0053" for policy details.  Use the
  cmake_policy command to set the policy and suppress this warning.

  For input:

    '
      SET(ENV{PYTHONPATH} ${pyenv})
      SET(ENV{LD_LIBRARY_PATH} ${pyenv}:\$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} ${ob_libdir})
      SET(ENV{BABEL_DATADIR} ${ob_datadir})
      MESSAGE(\"${pyenv}\")
      EXECUTE_PROCESS(
      	COMMAND ${PYTHON_EXECUTABLE} ${loc} ${wo_semicolumn}
      	#WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  the old evaluation rules produce:

    '
      SET(ENV{PYTHONPATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{LD_LIBRARY_PATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{BABEL_DATADIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/data)
      MESSAGE("/mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib")
      EXECUTE_PROCESS(
      	COMMAND /usr/bin/python /mnt/a/u/system/bwjenkins/openbabel-2.3.2/test/testbabel.py 
      	#WORKING_DIRECTORY 
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  but the new evaluation rules produce:

    '
      SET(ENV{PYTHONPATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{LD_LIBRARY_PATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{BABEL_DATADIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/data)
      MESSAGE("/mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib")
      EXECUTE_PROCESS(
      	COMMAND /usr/bin/python /mnt/a/u/system/bwjenkins/openbabel-2.3.2/test/testbabel.py 
      	#WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  Using the old result for compatibility since the policy is not set.
Call Stack (most recent call first):
  test/CMakeLists.txt:182 (ADD_PYTHON_TEST)
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at cmake/modules/UsePythonTest.cmake:37 (FILE):
  Policy CMP0053 is not set: Simplify variable reference and escape sequence
  evaluation.  Run "cmake --help-policy CMP0053" for policy details.  Use the
  cmake_policy command to set the policy and suppress this warning.

  For input:

    '
      SET(ENV{PYTHONPATH} ${pyenv})
      SET(ENV{LD_LIBRARY_PATH} ${pyenv}:\$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} ${ob_libdir})
      SET(ENV{BABEL_DATADIR} ${ob_datadir})
      MESSAGE(\"${pyenv}\")
      EXECUTE_PROCESS(
      	COMMAND ${PYTHON_EXECUTABLE} ${loc} ${wo_semicolumn}
      	#WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  the old evaluation rules produce:

    '
      SET(ENV{PYTHONPATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{LD_LIBRARY_PATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{BABEL_DATADIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/data)
      MESSAGE("/mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib")
      EXECUTE_PROCESS(
      	COMMAND /usr/bin/python /mnt/a/u/system/bwjenkins/openbabel-2.3.2/test/testsym.py 
      	#WORKING_DIRECTORY 
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  but the new evaluation rules produce:

    '
      SET(ENV{PYTHONPATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{LD_LIBRARY_PATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{BABEL_DATADIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/data)
      MESSAGE("/mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib")
      EXECUTE_PROCESS(
      	COMMAND /usr/bin/python /mnt/a/u/system/bwjenkins/openbabel-2.3.2/test/testsym.py 
      	#WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  Using the old result for compatibility since the policy is not set.
Call Stack (most recent call first):
  test/CMakeLists.txt:182 (ADD_PYTHON_TEST)
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at cmake/modules/UsePythonTest.cmake:37 (FILE):
  Policy CMP0053 is not set: Simplify variable reference and escape sequence
  evaluation.  Run "cmake --help-policy CMP0053" for policy details.  Use the
  cmake_policy command to set the policy and suppress this warning.

  For input:

    '
      SET(ENV{PYTHONPATH} ${pyenv})
      SET(ENV{LD_LIBRARY_PATH} ${pyenv}:\$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} ${ob_libdir})
      SET(ENV{BABEL_DATADIR} ${ob_datadir})
      MESSAGE(\"${pyenv}\")
      EXECUTE_PROCESS(
      	COMMAND ${PYTHON_EXECUTABLE} ${loc} ${wo_semicolumn}
      	#WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  the old evaluation rules produce:

    '
      SET(ENV{PYTHONPATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{LD_LIBRARY_PATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{BABEL_DATADIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/data)
      MESSAGE("/mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib")
      EXECUTE_PROCESS(
      	COMMAND /usr/bin/python /mnt/a/u/system/bwjenkins/openbabel-2.3.2/test/testfastsearch.py 
      	#WORKING_DIRECTORY 
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  but the new evaluation rules produce:

    '
      SET(ENV{PYTHONPATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{LD_LIBRARY_PATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{BABEL_DATADIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/data)
      MESSAGE("/mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib")
      EXECUTE_PROCESS(
      	COMMAND /usr/bin/python /mnt/a/u/system/bwjenkins/openbabel-2.3.2/test/testfastsearch.py 
      	#WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  Using the old result for compatibility since the policy is not set.
Call Stack (most recent call first):
  test/CMakeLists.txt:182 (ADD_PYTHON_TEST)
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at cmake/modules/UsePythonTest.cmake:37 (FILE):
  Policy CMP0053 is not set: Simplify variable reference and escape sequence
  evaluation.  Run "cmake --help-policy CMP0053" for policy details.  Use the
  cmake_policy command to set the policy and suppress this warning.

  For input:

    '
      SET(ENV{PYTHONPATH} ${pyenv})
      SET(ENV{LD_LIBRARY_PATH} ${pyenv}:\$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} ${ob_libdir})
      SET(ENV{BABEL_DATADIR} ${ob_datadir})
      MESSAGE(\"${pyenv}\")
      EXECUTE_PROCESS(
      	COMMAND ${PYTHON_EXECUTABLE} ${loc} ${wo_semicolumn}
      	#WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  the old evaluation rules produce:

    '
      SET(ENV{PYTHONPATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{LD_LIBRARY_PATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{BABEL_DATADIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/data)
      MESSAGE("/mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib")
      EXECUTE_PROCESS(
      	COMMAND /usr/bin/python /mnt/a/u/system/bwjenkins/openbabel-2.3.2/test/testunique.py 
      	#WORKING_DIRECTORY 
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  but the new evaluation rules produce:

    '
      SET(ENV{PYTHONPATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{LD_LIBRARY_PATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{BABEL_DATADIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/data)
      MESSAGE("/mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib")
      EXECUTE_PROCESS(
      	COMMAND /usr/bin/python /mnt/a/u/system/bwjenkins/openbabel-2.3.2/test/testunique.py 
      	#WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  Using the old result for compatibility since the policy is not set.
Call Stack (most recent call first):
  test/CMakeLists.txt:182 (ADD_PYTHON_TEST)
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at cmake/modules/UsePythonTest.cmake:37 (FILE):
  Policy CMP0053 is not set: Simplify variable reference and escape sequence
  evaluation.  Run "cmake --help-policy CMP0053" for policy details.  Use the
  cmake_policy command to set the policy and suppress this warning.

  For input:

    '
      SET(ENV{PYTHONPATH} ${pyenv})
      SET(ENV{LD_LIBRARY_PATH} ${pyenv}:\$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} ${ob_libdir})
      SET(ENV{BABEL_DATADIR} ${ob_datadir})
      MESSAGE(\"${pyenv}\")
      EXECUTE_PROCESS(
      	COMMAND ${PYTHON_EXECUTABLE} ${loc} ${wo_semicolumn}
      	#WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  the old evaluation rules produce:

    '
      SET(ENV{PYTHONPATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{LD_LIBRARY_PATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{BABEL_DATADIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/data)
      MESSAGE("/mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib")
      EXECUTE_PROCESS(
      	COMMAND /usr/bin/python /mnt/a/u/system/bwjenkins/openbabel-2.3.2/test/testkekule.py 
      	#WORKING_DIRECTORY 
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  but the new evaluation rules produce:

    '
      SET(ENV{PYTHONPATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{LD_LIBRARY_PATH} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH})
      SET(ENV{BABEL_LIBDIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib)
      SET(ENV{BABEL_DATADIR} /mnt/a/u/system/bwjenkins/openbabel-2.3.2/data)
      MESSAGE("/mnt/a/u/system/bwjenkins/openbabel-2.3.2/scripts/python:/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/lib")
      EXECUTE_PROCESS(
      	COMMAND /usr/bin/python /mnt/a/u/system/bwjenkins/openbabel-2.3.2/test/testkekule.py 
      	#WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@
      	RESULT_VARIABLE import_res
      	OUTPUT_VARIABLE import_output
      	ERROR_VARIABLE  import_output
      )
      
      # Pass the output back to ctest
      IF(import_output)
        MESSAGE('

  Using the old result for compatibility since the policy is not set.
Call Stack (most recent call first):
  test/CMakeLists.txt:182 (ADD_PYTHON_TEST)
This warning is for project developers.  Use -Wno-dev to suppress it.

-- Configuring done
nice make -j8
-- Generating done
-- Build files have been written to: /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build
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CMake Error at cmake_install.cmake:36 (file):
  file cannot create directory:
  /var/lib/jenkins/rmg-spp/openbabel-2.3.2/install/include/openbabel-2.0/openbabel.
  Maybe need administrative privileges.


make: *** [install] Error 1
 
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 $INSTDIR
bash: line 43: cd: /var/lib/jenkins/rmg-spp: No such file or directory
git clone git://git.code.sf.net/p/plplot/plplot plplot.git
fatal: destination path 'plplot.git' already exists and is not an empty directory.
cd plplot.git/
mkdir build
mkdir: cannot create directory `build': File exists
cd build
cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/plplot.git/install ..
[100%] Built target test_tetraplanar
[100%] Built target test_uniqueid
[100%] Built target test_unitcell
Install the project...
-- Install configuration: "RelWithDebInfo"
-- CMake version = 3.1.3
-- CMAKE_SYSTEM_NAME = Linux
-- SH_EXECUTABLE = /bin/bash
-- Checking whether system has ANSI C header files
-- ANSI C header files - found
-- SWIG_VERSION = 3.0.7
-- WARNING: Perl module XML::DOM not found
-- Looking for pkg-config - found
-- cxx_compiler_library_pathname_list = /opt/cray/atp/2.0.1/libApp/libAtpSigHandler.so;/opt/cray/atp/2.0.1/libApp/libAtpSigHCommData.a;/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64/librca.so;/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libfmpich.so;/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpichcxx.so;/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/lib/libdarshan-mpi-io.a;/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/lib/libdarshan-posix.a;/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/lib/libdarshan-stubs.a;/usr/lib64/libz.so;/usr/lib64/librt.so;/opt/cray/fftw/3.3.4.10/interlagos/lib/libfftw3f_mpi.so;/opt/cray/fftw/3.3.4.10/interlagos/lib/libfftw3f_threads.so;/opt/cray/fftw/3.3.4.10/interlagos/lib/libfftw3f.so;/opt/cray/fftw/3.3.4.10/interlagos/lib/libfftw3_mpi.so;/opt/cray/fftw/3.3.4.10/interlagos/lib/libfftw3_threads.so;/opt/cray/fftw/3.3.4.10/interlagos/lib/libfftw3.so;/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so;/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpichcxx_gnu_49.so;/opt/cray/libsci/16.03.1/GNU/4.9/x86_64/lib/libsci_gnu_49_mpi.so;/opt/cray/libsci/16.03.1/GNU/4.9/x86_64/lib/libsci_gnu_49.so;/opt/gcc/4.9.3/snos/lib64/libgfortran.so;/opt/gcc/4.9.3/snos/lib64/libquadmath.so;/usr/lib64/libm.so;/usr/lib64/libpthread.so;/opt/gcc/4.9.3/snos/lib64/libstdc++.so;/usr/lib64/libm.so;/usr/lib64/libc.so
-- X11_FOUND = 1
-- X11_INCLUDE_DIR = /usr/include
-- X11_COMPILE_FLAGS = -I/usr/include
-- X11_LIBRARIES = /usr/lib64/libSM.so;/usr/lib64/libICE.so;/usr/lib64/libX11.so;/usr/lib64/libXext.so
-- NOTICE: Found: /opt/cray/craype/2.5.4/bin/ftn
-- PYTHON_VERSION = 2.6.9
-- Building Python binding with plsmem() support
-- Start determining consistent system data for Tcl and friends
-- Looking for Tcl - found
-- TCL_INCLUDE_PATH = /usr/include
-- TCL_LIBRARY = /usr/lib64/libtcl8.5.so
-- TCL_STUB_LIBRARY = /usr/lib64/libtclstub8.5.a
-- TCL_LIBRARY_PATH = /usr/lib64
-- Looking for tclsh - found
-- TCL_TCLSH = /usr/bin/tclsh
-- PLPLOT_TCL_VERSION = 8.5.5
-- WARNING: Because Tk is disabled must disable Itk as well
-- Finished determining consistent system data for Tcl and friends
-- checking for module 'pango'
--   found pango, version 1.26.2
-- checking for module 'pangoft2'
--   found pangoft2, version 1.26.2
-- Found LTDL: /usr/lib64/libltdl.so
-- LTDL_INCLUDE_DIR = /usr/include
-- LTDL_LIBRARY_DIR = /usr/lib64
-- LTDL_LIBRARIES = /usr/lib64/libltdl.so
-- checking for module 'pangocairo'
--   found pangocairo, version 1.26.2
pc_libplplot_LINK_FLAGS = /usr/lib64/libltdl.so;/usr/lib64/libm.so;-lcsirocsa;-lqsastime
-- WARNING: ENABLE_wxwidgets is OFF so setting all wxwidgets devices to OFF.
-- WARNING: ENABLE_ocaml is OFF so disabling Plcairo module and lablgtk2 support
-- WARNING: validate target will not be available to check for syntax issues in the PLplot DocBook documentation because onsgmls (or env) was not found.
-- WARNING: Perl modules XML::Parser and/or XML::DOM not available
   so cannot check that swig_documentation.i is up to date.
-- ENABLE_itcl: OFF
-- Itcl libraries: plplot;/usr/lib64/libtcl8.5.so
-- TEST_ENVIRONMENT = EXAMPLES_DIR=/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/examples SRC_EXAMPLES_DIR=/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/examples OUTPUT_DIR=/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/ctest_examples_output_dir VC_CTEST_DIRECTORY=
-- Determine compile and link flags for extXdrawable_demo
-- checking for module 'gtk+-x11-2.0'
--   found gtk+-x11-2.0, version 2.18.9
-- Determine compile and link flags for ext-cairo-test
-- checking for module 'cairo'
--   found cairo, version 1.8.8

Summary of CMake build system results for PLplot

Install location variables which can be set by the user:
CMAKE_INSTALL_PREFIX:      /var/lib/jenkins/rmg-spp/plplot.git/install
CMAKE_INSTALL_EXEC_PREFIX  /var/lib/jenkins/rmg-spp/plplot.git/install
CMAKE_INSTALL_BINDIR 	   /var/lib/jenkins/rmg-spp/plplot.git/install/bin
CMAKE_INSTALL_DATADIR 	   /var/lib/jenkins/rmg-spp/plplot.git/install/share
CMAKE_INSTALL_LIBDIR 	   /var/lib/jenkins/rmg-spp/plplot.git/install/lib
CMAKE_INSTALL_INCLUDEDIR   /var/lib/jenkins/rmg-spp/plplot.git/install/include
CMAKE_INSTALL_INFODIR 	   /var/lib/jenkins/rmg-spp/plplot.git/install/share/info
CMAKE_INSTALL_MANDIR 	   /var/lib/jenkins/rmg-spp/plplot.git/install/share/man

Derived install location variables:
DATA_DIR	/var/lib/jenkins/rmg-spp/plplot.git/install/share/plplot5.12.0
LIB_DIR		/var/lib/jenkins/rmg-spp/plplot.git/install/lib
INCLUDE_DIR	/var/lib/jenkins/rmg-spp/plplot.git/install/include/plplot
BIN_DIR		/var/lib/jenkins/rmg-spp/plplot.git/install/bin
TCL_DIR		/var/lib/jenkins/rmg-spp/plplot.git/install/share/plplot5.12.0/tcl
ADA_INCLUDE_DIR	/var/lib/jenkins/rmg-spp/plplot.git/install/share/ada/adainclude/plplotada
ADA_LIB_DIR	/var/lib/jenkins/rmg-spp/plplot.git/install/lib/ada/adalib/plplotada
PYTHON_INSTDIR	/var/lib/jenkins/rmg-spp/plplot.git/install/lib64/python2.6/site-packages
DRV_DIR		/var/lib/jenkins/rmg-spp/plplot.git/install/lib/plplot5.12.0/drivers
DOC_DIR		/var/lib/jenkins/rmg-spp/plplot.git/install/share/doc/plplot
MAN_DIR		/var/lib/jenkins/rmg-spp/plplot.git/install/share/man
INFO_DIR	/var/lib/jenkins/rmg-spp/plplot.git/install/share/info

Other important CMake variables:

CMAKE_SYSTEM_NAME:	Linux
UNIX:			1
WIN32:			
APPLE:			
MSVC:				(MSVC_VERSION:	)
MINGW:			
MSYS:			
CYGWIN:			
BORLAND:		
WATCOM:		  

SWIG_FOUND:		1
PERL_FOUND:		TRUE
X11_FOUND:		1

CMAKE_BUILD_TYPE:	
CMAKE_C_COMPILER CMAKE_C_FLAGS:			/opt/cray/craype/2.5.4/bin/cc 
CMAKE_CXX_COMPILER CMAKE_CXX_FLAGS:		/opt/cray/craype/2.5.4/bin/CC 
CMAKE_Fortran_COMPILER CMAKE_Fortran_FLAGS:	/opt/cray/craype/2.5.4/bin/ftn 
Target Fortran:	
PYTHON_EXECUTABLE:				/usr/bin/python
PYTHON_INCLUDE_PATH:				/usr/include/python2.6
PYTHON_LIBRARIES:				/usr/lib64/libpython2.6.so
NUMPY_INCLUDE_PATH:				/usr/lib64/python2.6/site-packages/numpy/core/include/numpy

ENABLE_DYNDRIVERS:	ON
DRIVERS_LIST: cairo;mem;null;ps;svg;xfig;xwin
DEVICES_LIST: memcairo;extcairo;pdfcairo;pngcairo;pscairo;epscairo;svgcairo;xcairo;mem;null;ps;svg;xfig;xwin

Library options:
BUILD_SHARED_LIBS:	ON		PL_DOUBLE:	ON

Optional libraries:
PL_HAVE_QHULL:		OFF		WITH_CSA:	ON
PL_HAVE_FREETYPE:			PL_HAVE_PTHREAD:	ON
HAVE_AGG:				HAVE_SHAPELIB:	OFF

Language Bindings:
ENABLE_ada:		OFF
ENABLE_cxx:		ON
ENABLE_d:		OFF
ENABLE_f95:		ON
ENABLE_java:		ON
ENABLE_lua:		OFF
ENABLE_ocaml:		OFF
ENABLE_octave:		OFF
ENABLE_pdl:		OFF
ENABLE_python:		ON
ENABLE_qt:		OFF
ENABLE_pyqt4:		OFF
ENABLE_pyqt5:		OFF
ENABLE_tcl:		ON
ENABLE_itcl:		OFF
ENABLE_tk:		OFF
ENABLE_itk:		OFF
ENABLE_wxwidgets:	OFF

-- Configuring done
make
-- Generating done
-- Build files have been written to: /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build
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make install
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CMake Error at cmake_install.cmake:44 (file):
  file cannot create directory:
  /var/lib/jenkins/rmg-spp/plplot.git/install/share/doc/plplot.  Maybe need
  administrative privileges.


make: *** [install] Error 1
 
# install CPU-version of RMG
cd $INSTDIR
bash: line 53: cd: /var/lib/jenkins/rmg-spp: No such file or directory
wget http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz
--2017-02-15 14:20:40--  http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz
Resolving downloads.sourceforge.net... 216.34.181.59
Connecting to downloads.sourceforge.net|216.34.181.59|:80... connected.
HTTP request sent, awaiting response... 302 Found
Location: https://cytranet.dl.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz [following]
--2017-02-15 14:20:40--  https://cytranet.dl.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz
Resolving cytranet.dl.sourceforge.net... 74.82.59.181
Connecting to cytranet.dl.sourceforge.net|74.82.59.181|:443... connected.
HTTP request sent, awaiting response... 200 OK
Length: 42363399 (40M) [application/x-gzip]
Saving to: `rmg-release_2.1.tar.gz.4'

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  2750K .......... .......... .......... .......... ..........  6% 29.6M 9s
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 16850K .......... .......... .......... .......... .......... 40% 94.9M 2s
 16900K .......... .......... .......... .......... .......... 40% 92.7M 2s
 16950K .......... .......... .......... .......... .......... 41% 2.44M 2s
 17000K .......... .......... .......... .......... .......... 41% 80.0M 2s
 17050K .......... .......... .......... .......... .......... 41% 42.5M 2s
 17100K .......... .......... .......... .......... .......... 41% 76.0M 2s
 17150K .......... .......... .......... .......... .......... 41% 1.99M 2s
 17200K .......... .......... .......... .......... .......... 41% 69.3M 2s
 17250K .......... .......... .......... .......... .......... 41% 43.7M 2s
 17300K .......... .......... .......... .......... .......... 41% 44.8M 2s
 17350K .......... .......... .......... .......... .......... 42% 45.2M 2s
 17400K .......... .......... .......... .......... .......... 42% 73.0M 2s
 17450K .......... .......... .......... .......... .......... 42% 42.1M 2s
 17500K .......... .......... .......... .......... .......... 42% 39.8M 2s
 17550K .......... .......... .......... .......... .......... 42% 37.4M 2s
 17600K .......... .......... .......... .......... .......... 42% 34.4M 2s
 17650K .......... .......... .......... .......... .......... 42% 79.2M 2s
 17700K .......... .......... .......... .......... .......... 42% 3.49M 2s
 17750K .......... .......... .......... .......... .......... 43% 33.1M 2s
 17800K .......... .......... .......... .......... .......... 43% 71.4M 2s
 17850K .......... .......... .......... .......... .......... 43% 49.5M 2s
 17900K .......... .......... .......... .......... .......... 43% 54.5M 2s
 17950K .......... .......... .......... .......... .......... 43% 1.99M 2s
 18000K .......... .......... .......... .......... .......... 43% 53.0M 2s
 18050K .......... .......... .......... .......... .......... 43% 60.9M 2s
 18100K .......... .......... .......... .......... .......... 43% 54.1M 2s
 18150K .......... .......... .......... .......... .......... 43% 42.0M 2s
 18200K .......... .......... .......... .......... .......... 44% 75.3M 2s
 18250K .......... .......... .......... .......... .......... 44% 31.3M 2s
 18300K .......... .......... .......... .......... .......... 44% 46.2M 2s
 18350K .......... .......... .......... .......... .......... 44% 31.0M 2s
 18400K .......... .......... .......... .......... .......... 44% 37.0M 2s
 18450K .......... .......... .......... .......... .......... 44% 58.3M 2s
 18500K .......... .......... .......... .......... .......... 44% 3.66M 2s
 18550K .......... .......... .......... .......... .......... 44% 26.4M 2s
 18600K .......... .......... .......... .......... .......... 45% 64.1M 2s
 18650K .......... .......... .......... .......... .......... 45% 29.4M 2s
 18700K .......... .......... .......... .......... .......... 45% 40.0M 2s
 18750K .......... .......... .......... .......... .......... 45% 2.10M 2s
 18800K .......... .......... .......... .......... .......... 45% 70.5M 2s
 18850K .......... .......... .......... .......... .......... 45% 38.7M 2s
 18900K .......... .......... .......... .......... .......... 45% 63.3M 2s
 18950K .......... .......... .......... .......... .......... 45% 33.1M 2s
 19000K .......... .......... .......... .......... .......... 46% 51.9M 2s
 19050K .......... .......... .......... .......... .......... 46% 41.8M 2s
 19100K .......... .......... .......... .......... .......... 46% 34.6M 2s
 19150K .......... .......... .......... .......... .......... 46% 27.1M 2s
 19200K .......... .......... .......... .......... .......... 46% 55.8M 2s
 19250K .......... .......... .......... .......... .......... 46% 50.1M 2s
 19300K .......... .......... .......... .......... .......... 46% 3.91M 2s
 19350K .......... .......... .......... .......... .......... 46% 25.7M 2s
 19400K .......... .......... .......... .......... .......... 47% 52.6M 2s
 19450K .......... .......... .......... .......... .......... 47% 1.77M 2s
 19500K .......... .......... .......... .......... .......... 47%  108M 2s
 19550K .......... .......... .......... .......... .......... 47% 82.6M 2s
 19600K .......... .......... .......... .......... .......... 47%  111M 2s
 19650K .......... .......... .......... .......... .......... 47%  107M 2s
 19700K .......... .......... .......... .......... .......... 47%  108M 2s
 19750K .......... .......... .......... .......... .......... 47% 80.4M 2s
 19800K .......... .......... .......... .......... .......... 47% 28.7M 2s
 19850K .......... .......... .......... .......... .......... 48% 32.8M 2s
 19900K .......... .......... .......... .......... .......... 48% 28.1M 2s
 19950K .......... .......... .......... .......... .......... 48% 25.1M 2s
 20000K .......... .......... .......... .......... .......... 48% 81.0M 2s
 20050K .......... .......... .......... .......... .......... 48%  907K 2s
 20100K .......... .......... .......... .......... .......... 48% 83.3M 2s
 20150K .......... .......... .......... .......... .......... 48% 88.2M 2s
 20200K .......... .......... .......... .......... .......... 48% 96.0M 2s
 20250K .......... .......... .......... .......... .......... 49% 90.0M 2s
 20300K .......... .......... .......... .......... .......... 49% 94.5M 2s
 20350K .......... .......... .......... .......... .......... 49% 68.5M 2s
 20400K .......... .......... .......... .......... .......... 49% 91.6M 2s
 20450K .......... .......... .......... .......... .......... 49% 88.9M 2s
 20500K .......... .......... .......... .......... .......... 49% 95.7M 2s
 20550K .......... .......... .......... .......... .......... 49% 99.0M 2s
 20600K .......... .......... .......... .......... .......... 49% 98.9M 2s
 20650K .......... .......... .......... .......... .......... 50% 93.5M 2s
 20700K .......... .......... .......... .......... .......... 50%  102M 2s
 20750K .......... .......... .......... .......... .......... 50% 1.10M 2s
 20800K .......... .......... .......... .......... .......... 50% 91.2M 2s
 20850K .......... .......... .......... .......... .......... 50% 92.6M 2s
 20900K .......... .......... .......... .......... .......... 50% 86.9M 2s
 20950K .......... .......... .......... .......... .......... 50% 92.1M 2s
 21000K .......... .......... .......... .......... .......... 50% 98.5M 2s
 21050K .......... .......... .......... .......... .......... 51%  103M 2s
 21100K .......... .......... .......... .......... .......... 51%  101M 2s
 21150K .......... .......... .......... .......... .......... 51% 74.1M 2s
 21200K .......... .......... .......... .......... .......... 51% 99.2M 2s
 21250K .......... .......... .......... .......... .......... 51% 92.9M 2s
 21300K .......... .......... .......... .......... .......... 51% 96.5M 2s
 21350K .......... .......... .......... .......... .......... 51% 96.5M 2s
 21400K .......... .......... .......... .......... .......... 51% 96.9M 2s
 21450K .......... .......... .......... .......... .......... 51% 12.8M 2s
 21500K .......... .......... .......... .......... .......... 52% 2.86M 2s
 21550K .......... .......... .......... .......... .......... 52% 3.35M 2s
 21600K .......... .......... .......... .......... .......... 52% 17.8M 2s
 21650K .......... .......... .......... .......... .......... 52% 39.3M 2s
 21700K .......... .......... .......... .......... .......... 52% 33.3M 2s
 21750K .......... .......... .......... .......... .......... 52% 34.9M 2s
 21800K .......... .......... .......... .......... .......... 52% 45.1M 2s
 21850K .......... .......... .......... .......... .......... 52% 36.6M 2s
 21900K .......... .......... .......... .......... .......... 53% 43.6M 2s
 21950K .......... .......... .......... .......... .......... 53% 25.7M 2s
 22000K .......... .......... .......... .......... .......... 53% 5.71M 2s
 22050K .......... .......... .......... .......... .......... 53% 2.81M 2s
 22100K .......... .......... .......... .......... .......... 53% 3.58M 2s
 22150K .......... .......... .......... .......... .......... 53% 18.7M 2s
 22200K .......... .......... .......... .......... .......... 53% 34.5M 2s
 22250K .......... .......... .......... .......... .......... 53% 33.4M 2s
 22300K .......... .......... .......... .......... .......... 54% 32.6M 2s
 22350K .......... .......... .......... .......... .......... 54% 27.5M 2s
 22400K .......... .......... .......... .......... .......... 54% 25.8M 2s
 22450K .......... .......... .......... .......... .......... 54% 82.0M 2s
 22500K .......... .......... .......... .......... .......... 54% 2.32M 2s
 22550K .......... .......... .......... .......... .......... 54% 85.8M 2s
 22600K .......... .......... .......... .......... .......... 54% 90.8M 2s
 22650K .......... .......... .......... .......... .......... 54% 8.16M 2s
 22700K .......... .......... .......... .......... .......... 54% 3.47M 2s
 22750K .......... .......... .......... .......... .......... 55% 16.2M 2s
 22800K .......... .......... .......... .......... .......... 55% 39.5M 2s
 22850K .......... .......... .......... .......... .......... 55% 28.5M 2s
 22900K .......... .......... .......... .......... .......... 55% 34.6M 2s
 22950K .......... .......... .......... .......... .......... 55% 27.7M 2s
 23000K .......... .......... .......... .......... .......... 55% 38.4M 2s
 23050K .......... .......... .......... .......... .......... 55% 22.5M 2s
 23100K .......... .......... .......... .......... .......... 55% 2.55M 2s
 23150K .......... .......... .......... .......... .......... 56% 55.5M 2s
 23200K .......... .......... .......... .......... .......... 56% 8.57M 2s
 23250K .......... .......... .......... .......... .......... 56% 3.34M 2s
 23300K .......... .......... .......... .......... .......... 56% 21.0M 2s
 23350K .......... .......... .......... .......... .......... 56% 38.1M 2s
 23400K .......... .......... .......... .......... .......... 56% 34.5M 2s
 23450K .......... .......... .......... .......... .......... 56% 28.2M 2s
 23500K .......... .......... .......... .......... .......... 56% 37.9M 2s
 23550K .......... .......... .......... .......... .......... 57% 2.52M 2s
 23600K .......... .......... .......... .......... .......... 57% 88.7M 2s
 23650K .......... .......... .......... .......... .......... 57% 14.3M 2s
 23700K .......... .......... .......... .......... .......... 57% 56.3M 2s
 23750K .......... .......... .......... .......... .......... 57% 76.4M 2s
 23800K .......... .......... .......... .......... .......... 57% 8.02M 2s
 23850K .......... .......... .......... .......... .......... 57% 3.44M 2s
 23900K .......... .......... .......... .......... .......... 57% 15.9M 2s
 23950K .......... .......... .......... .......... .......... 58% 31.3M 2s
 24000K .......... .......... .......... .......... .......... 58% 28.8M 2s
 24050K .......... .......... .......... .......... .......... 58% 36.3M 2s
 24100K .......... .......... .......... .......... .......... 58% 2.62M 2s
 24150K .......... .......... .......... .......... .......... 58% 56.0M 2s
 24200K .......... .......... .......... .......... .......... 58% 89.2M 2s
 24250K .......... .......... .......... .......... .......... 58% 12.4M 2s
 24300K .......... .......... .......... .......... .......... 58% 58.1M 2s
 24350K .......... .......... .......... .......... .......... 58% 9.73M 2s
 24400K .......... .......... .......... .......... .......... 59% 3.59M 2s
 24450K .......... .......... .......... .......... .......... 59% 12.4M 2s
 24500K .......... .......... .......... .......... .......... 59% 24.0M 2s
 24550K .......... .......... .......... .......... .......... 59% 1.95M 2s
 24600K .......... .......... .......... .......... .......... 59% 97.4M 2s
 24650K .......... .......... .......... .......... .......... 59% 92.8M 2s
 24700K .......... .......... .......... .......... .......... 59% 92.0M 2s
 24750K .......... .......... .......... .......... .......... 59% 67.9M 1s
 24800K .......... .......... .......... .......... .......... 60% 99.7M 1s
 24850K .......... .......... .......... .......... .......... 60% 85.4M 1s
 24900K .......... .......... .......... .......... .......... 60% 98.5M 1s
 24950K .......... .......... .......... .......... .......... 60% 9.14M 1s
 25000K .......... .......... .......... .......... .......... 60% 3.59M 1s
 25050K .......... .......... .......... .......... .......... 60% 11.6M 1s
 25100K .......... .......... .......... .......... .......... 60% 27.7M 1s
 25150K .......... .......... .......... .......... .......... 60% 2.00M 1s
 25200K .......... .......... .......... .......... .......... 61% 79.7M 1s
 25250K .......... .......... .......... .......... .......... 61% 57.3M 1s
 25300K .......... .......... .......... .......... .......... 61% 48.1M 1s
 25350K .......... .......... .......... .......... .......... 61% 40.1M 1s
 25400K .......... .......... .......... .......... .......... 61% 82.3M 1s
 25450K .......... .......... .......... .......... .......... 61% 39.8M 1s
 25500K .......... .......... .......... .......... .......... 61% 27.2M 1s
 25550K .......... .......... .......... .......... .......... 61% 20.0M 1s
 25600K .......... .......... .......... .......... .......... 62% 3.35M 1s
 25650K .......... .......... .......... .......... .......... 62% 14.6M 1s
 25700K .......... .......... .......... .......... .......... 62% 34.1M 1s
 25750K .......... .......... .......... .......... .......... 62% 2.02M 1s
 25800K .......... .......... .......... .......... .......... 62% 49.7M 1s
 25850K .......... .......... .......... .......... .......... 62% 91.9M 1s
 25900K .......... .......... .......... .......... .......... 62% 58.2M 1s
 25950K .......... .......... .......... .......... .......... 62% 37.9M 1s
 26000K .......... .......... .......... .......... .......... 62% 41.9M 1s
 26050K .......... .......... .......... .......... .......... 63% 54.2M 1s
 26100K .......... .......... .......... .......... .......... 63% 22.6M 1s
 26150K .......... .......... .......... .......... .......... 63% 25.4M 1s
 26200K .......... .......... .......... .......... .......... 63% 3.49M 1s
 26250K .......... .......... .......... .......... .......... 63% 14.1M 1s
 26300K .......... .......... .......... .......... .......... 63% 38.2M 1s
 26350K .......... .......... .......... .......... .......... 63% 1.97M 1s
 26400K .......... .......... .......... .......... .......... 63% 49.3M 1s
 26450K .......... .......... .......... .......... .......... 64% 43.0M 1s
 26500K .......... .......... .......... .......... .......... 64% 35.9M 1s
 26550K .......... .......... .......... .......... .......... 64% 50.8M 1s
 26600K .......... .......... .......... .......... .......... 64% 36.1M 1s
 26650K .......... .......... .......... .......... .......... 64% 40.1M 1s
 26700K .......... .......... .......... .......... .......... 64% 27.6M 1s
 26750K .......... .......... .......... .......... .......... 64% 3.86M 1s
 26800K .......... .......... .......... .......... .......... 64% 23.8M 1s
 26850K .......... .......... .......... .......... .......... 65% 12.2M 1s
 26900K .......... .......... .......... .......... .......... 65% 2.03M 1s
 26950K .......... .......... .......... .......... .......... 65% 33.0M 1s
 27000K .......... .......... .......... .......... .......... 65% 50.6M 1s
 27050K .......... .......... .......... .......... .......... 65% 46.2M 1s
 27100K .......... .......... .......... .......... .......... 65% 40.2M 1s
 27150K .......... .......... .......... .......... .......... 65% 39.8M 1s
 27200K .......... .......... .......... .......... .......... 65% 46.8M 1s
 27250K .......... .......... .......... .......... .......... 65% 21.0M 1s
 27300K .......... .......... .......... .......... .......... 66% 45.7M 1s
 27350K .......... .......... .......... .......... .......... 66% 4.05M 1s
 27400K .......... .......... .......... .......... .......... 66% 23.6M 1s
 27450K .......... .......... .......... .......... .......... 66% 11.9M 1s
 27500K .......... .......... .......... .......... .......... 66% 2.05M 1s
 27550K .......... .......... .......... .......... .......... 66% 21.8M 1s
 27600K .......... .......... .......... .......... .......... 66% 47.5M 1s
 27650K .......... .......... .......... .......... .......... 66% 1.79M 1s
 27700K .......... .......... .......... .......... .......... 67%  100M 1s
 27750K .......... .......... .......... .......... .......... 67% 97.4M 1s
 27800K .......... .......... .......... .......... .......... 67% 99.9M 1s
 27850K .......... .......... .......... .......... .......... 67% 97.6M 1s
 27900K .......... .......... .......... .......... .......... 67% 95.1M 1s
 27950K .......... .......... .......... .......... .......... 67% 76.6M 1s
 28000K .......... .......... .......... .......... .......... 67% 95.8M 1s
 28050K .......... .......... .......... .......... .......... 67% 97.7M 1s
 28100K .......... .......... .......... .......... .......... 68% 2.63M 1s
 28150K .......... .......... .......... .......... .......... 68% 27.1M 1s
 28200K .......... .......... .......... .......... .......... 68% 36.4M 1s
 28250K .......... .......... .......... .......... .......... 68% 1.82M 1s
 28300K .......... .......... .......... .......... .......... 68% 74.3M 1s
 28350K .......... .......... .......... .......... .......... 68% 48.4M 1s
 28400K .......... .......... .......... .......... .......... 68% 54.0M 1s
 28450K .......... .......... .......... .......... .......... 68% 65.1M 1s
 28500K .......... .......... .......... .......... .......... 69% 59.8M 1s
 28550K .......... .......... .......... .......... .......... 69% 43.1M 1s
 28600K .......... .......... .......... .......... .......... 69% 50.9M 1s
 28650K .......... .......... .......... .......... .......... 69% 2.75M 1s
 28700K .......... .......... .......... .......... .......... 69% 93.0M 1s
 28750K .......... .......... .......... .......... .......... 69% 51.5M 1s
 28800K .......... .......... .......... .......... .......... 69% 1.84M 1s
 28850K .......... .......... .......... .......... .......... 69% 63.9M 1s
 28900K .......... .......... .......... .......... .......... 69% 65.9M 1s
 28950K .......... .......... .......... .......... .......... 70% 43.4M 1s
 29000K .......... .......... .......... .......... .......... 70% 59.6M 1s
 29050K .......... .......... .......... .......... .......... 70% 78.8M 1s
 29100K .......... .......... .......... .......... .......... 70% 49.2M 1s
 29150K .......... .......... .......... .......... .......... 70% 33.5M 1s
 29200K .......... .......... .......... .......... .......... 70% 49.8M 1s
 29250K .......... .......... .......... .......... .......... 70% 2.88M 1s
 29300K .......... .......... .......... .......... .......... 70% 72.5M 1s
 29350K .......... .......... .......... .......... .......... 71% 39.5M 1s
 29400K .......... .......... .......... .......... .......... 71% 20.1M 1s
 29450K .......... .......... .......... .......... .......... 71% 1.99M 1s
 29500K .......... .......... .......... .......... .......... 71% 71.5M 1s
 29550K .......... .......... .......... .......... .......... 71% 27.5M 1s
 29600K .......... .......... .......... .......... .......... 71% 41.7M 1s
 29650K .......... .......... .......... .......... .......... 71% 47.8M 1s
 29700K .......... .......... .......... .......... .......... 71% 2.24M 1s
 29750K .......... .......... .......... .......... .......... 72% 95.1M 1s
 29800K .......... .......... .......... .......... .......... 72% 97.4M 1s
 29850K .......... .......... .......... .......... .......... 72% 97.4M 1s
 29900K .......... .......... .......... .......... .......... 72%  102M 1s
 29950K .......... .......... .......... .......... .......... 72% 74.9M 1s
 30000K .......... .......... .......... .......... .......... 72% 2.13M 1s
 30050K .......... .......... .......... .......... .......... 72% 62.3M 1s
 30100K .......... .......... .......... .......... .......... 72% 47.8M 1s
 30150K .......... .......... .......... .......... .......... 72% 29.5M 1s
 30200K .......... .......... .......... .......... .......... 73% 30.5M 1s
 30250K .......... .......... .......... .......... .......... 73% 58.4M 1s
 30300K .......... .......... .......... .......... .......... 73% 2.30M 1s
 30350K .......... .......... .......... .......... .......... 73% 42.2M 1s
 30400K .......... .......... .......... .......... .......... 73% 61.1M 1s
 30450K .......... .......... .......... .......... .......... 73% 53.8M 1s
 30500K .......... .......... .......... .......... .......... 73% 54.6M 1s
 30550K .......... .......... .......... .......... .......... 73% 78.8M 1s
 30600K .......... .......... .......... .......... .......... 74% 43.9M 1s
 30650K .......... .......... .......... .......... .......... 74% 2.34M 1s
 30700K .......... .......... .......... .......... .......... 74% 71.1M 1s
 30750K .......... .......... .......... .......... .......... 74% 25.5M 1s
 30800K .......... .......... .......... .......... .......... 74% 44.1M 1s
 30850K .......... .......... .......... .......... .......... 74% 37.8M 1s
 30900K .......... .......... .......... .......... .......... 74% 2.30M 1s
 30950K .......... .......... .......... .......... .......... 74% 42.9M 1s
 31000K .......... .......... .......... .......... .......... 75% 39.0M 1s
 31050K .......... .......... .......... .......... .......... 75% 43.0M 1s
 31100K .......... .......... .......... .......... .......... 75% 67.9M 1s
 31150K .......... .......... .......... .......... .......... 75% 34.4M 1s
 31200K .......... .......... .......... .......... .......... 75% 37.4M 1s
 31250K .......... .......... .......... .......... .......... 75% 2.54M 1s
 31300K .......... .......... .......... .......... .......... 75% 67.2M 1s
 31350K .......... .......... .......... .......... .......... 75% 32.1M 1s
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 41350K .......... ..........                                 100%  119M=3.8s

2017-02-15 14:20:44 (10.5 MB/s) - `rmg-release_2.1.tar.gz.4' saved [42363399/42363399]

tar zxvf rmg-release_2.1.tar.gz
rmg-release_2.1/
rmg-release_2.1/XC/
rmg-release_2.1/XC/erf.f90
rmg-release_2.1/XC/vdW_kernel_table
rmg-release_2.1/XC/kind.f90
rmg-release_2.1/XC/lsda_functionals.F90
rmg-release_2.1/XC/matches.f90
rmg-release_2.1/XC/vdw_correlation.cpp
rmg-release_2.1/XC/Functional.cpp
rmg-release_2.1/XC/io_global.f90
rmg-release_2.1/XC/capital.f90
rmg-release_2.1/XC/Makefile
rmg-release_2.1/XC/funct.f90
rmg-release_2.1/XC/constants.f90
rmg-release_2.1/XC/CMakeLists.txt
rmg-release_2.1/XC/expint.f90
rmg-release_2.1/XC/more_functionals.F90
rmg-release_2.1/XC/functionals.F90
rmg-release_2.1/XC/metagga.F90
rmg-release_2.1/XC/CMakeFiles/
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rmg-release_2.1/make_conf.h.in
rmg-release_2.1/lib/
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rmg-release_2.1/lib/winlibs/
rmg-release_2.1/lib/winlibs/x64/
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rmg-release_2.1/lib/winlibs/x64/libfftw3f-3.lib
rmg-release_2.1/lib/winlibs/x64/ZLIB.lib
rmg-release_2.1/lib/winlibs/x64/libfftw3l-3.lib
rmg-release_2.1/lib/winlibs/x64/SPGLIBVC12.lib
rmg-release_2.1/lib/winlibs/x64/libfftw3-3.lib
rmg-release_2.1/lib/pfft-master.tar.gz
rmg-release_2.1/lib/Elemental-0.85.tgz
rmg-release_2.1/lib/libxc-2.2.2.tar.gz
rmg-release_2.1/RMG/
rmg-release_2.1/RMG/in.c60
rmg-release_2.1/RMG/Make.xt
rmg-release_2.1/RMG/Spin/
rmg-release_2.1/RMG/Spin/Makefile
rmg-release_2.1/RMG/Spin/CMakeLists.txt
rmg-release_2.1/RMG/Spin/get_rho_oppo.c
rmg-release_2.1/RMG/Spin/GetOppositeOccupancies.cpp
rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/
rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/xclda.c
rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/gcxbcp.c
rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/gcxcblyp_spin.c
rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/pbex.c
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rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/xcgga.c
rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/Makefile
rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/xcgga_spin.c
rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/perdew86.c
rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/lyp.c
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rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/gcxbcp_spin.c
rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/gcxcpw91_spin.c
rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/CMakeFiles/
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rmg-release_2.1/RmgLib/CMakeFiles/RmgLib.dir/src/rmg_error.cpp.rpo
rmg-release_2.1/RmgLib/CMakeFiles/RmgLib.dir/src/RmgTimer.cpp.rpo
rmg-release_2.1/RmgLib/CMakeFiles/RmgLib.dir/src/Lattice.cpp.rpo
rmg-release_2.1/RmgLib/CMakeFiles/RmgLib.dir/src/app_del2_driver.cpp.rpo
rmg-release_2.1/RmgLib/CMakeFiles/RmgLib.dir/src/packfuncs.cpp.rpo
rmg-release_2.1/RmgLib/CMakeFiles/RmgLib.dir/src/RmgSumAll.cpp.rpo
rmg-release_2.1/RmgLib/CMakeFiles/RmgLib.dir/src/BaseGrid.cpp.rpo
rmg-release_2.1/RmgLib/CMakeFiles/RmgLib.dir/src/BaseThread.cpp.rpo
rmg-release_2.1/RmgLib/CMakeFiles/RmgLib.dir/src/app_grad_driver.cpp.rpo
rmg-release_2.1/RmgLib/CMakeFiles/RmgLib.dir/src/FiniteDiff.cpp.rpo
rmg-release_2.1/RmgLib/CMakeFiles/RmgLib.dir/src/Mgrid.cpp.rpo
rmg-release_2.1/RmgLib/CMakeFiles/RmgLib.dir/src/app_cil_driver.cpp.rpo
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rmg-release_2.1/RmgLib/CMakeFiles/RmgLibShared.dir/depend.make
rmg-release_2.1/RmgLib/CMakeFiles/RmgLibShared.dir/build.make
rmg-release_2.1/RmgLib/CMakeFiles/RmgLibShared.dir/flags.make
rmg-release_2.1/RmgLib/CMakeFiles/RmgLibShared.dir/CXX.includecache
rmg-release_2.1/RmgLib/CMakeFiles/RmgLibShared.dir/link.txt
rmg-release_2.1/RmgLib/CMakeFiles/RmgLibShared.dir/progress.make
rmg-release_2.1/RmgLib/CMakeFiles/RmgLibShared.dir/cmake_clean.cmake
rmg-release_2.1/RmgLib/CMakeFiles/RmgLibShared.dir/src/
rmg-release_2.1/RmgLib/CMakeFiles/RmgLibShared.dir/depend.internal
rmg-release_2.1/RmgLib/CMakeFiles/RmgLibShared.dir/DependInfo.cmake
rmg-release_2.1/RmgLib/CMakeFiles/progress.marks
rmg-release_2.1/RmgLib/cmake_install.cmake
rmg-release_2.1/Finite_diff/
rmg-release_2.1/Finite_diff/app6_del2.c
rmg-release_2.1/Finite_diff/app_grad.c
rmg-release_2.1/Finite_diff/AppCilrDriver.cpp
rmg-release_2.1/Finite_diff/app_cir_ortho.c
rmg-release_2.1/Finite_diff/AppCilrSixth.cpp
rmg-release_2.1/Finite_diff/app_cir_bcc.cpp
rmg-release_2.1/Finite_diff/AppCilrFourth.cpp
rmg-release_2.1/Finite_diff/Makefile
rmg-release_2.1/Finite_diff/app_cir_fcc.c
rmg-release_2.1/Finite_diff/CMakeLists.txt
rmg-release_2.1/Finite_diff/ApplyLaplacian.cpp
rmg-release_2.1/Finite_diff/app_cir_bcc.c
rmg-release_2.1/Finite_diff/app_cir_fcc.cpp
rmg-release_2.1/Finite_diff/ApplyAOperator.cpp
rmg-release_2.1/Finite_diff/ApplyBOperator.cpp
rmg-release_2.1/Finite_diff/app_cir_beta_sixth.c
rmg-release_2.1/Finite_diff/app_cir_beta_fourth.c
rmg-release_2.1/Finite_diff/CMakeFiles/
rmg-release_2.1/Finite_diff/CMakeFiles/CMakeDirectoryInformation.cmake
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_bcc.cpp.rpo
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/depend.make
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/build.make
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/flags.make
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/CXX.includecache
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/C.includecache
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/AppCilrSixth.cpp.rpo
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/link.txt
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/cmake_clean_target.cmake
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/progress.make
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/AppCilrFourth.cpp.rpo
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/cmake_clean.cmake
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/AppCilrDriver.cpp.rpo
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/depend.internal
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/DependInfo.cmake
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_fcc.cpp.rpo
rmg-release_2.1/Finite_diff/CMakeFiles/Finite_diff.dir/FiniteDiff_Cbindings.cpp.rpo
rmg-release_2.1/Finite_diff/CMakeFiles/progress.marks
rmg-release_2.1/Finite_diff/app_cir_driver.c
rmg-release_2.1/Finite_diff/ApplyGradient.cpp
rmg-release_2.1/Finite_diff/AppCir.cpp
rmg-release_2.1/Finite_diff/cmake_install.cmake
rmg-release_2.1/Finite_diff/FiniteDiff_Cbindings.cpp
rmg-release_2.1/Force/
rmg-release_2.1/Force/Makefile
rmg-release_2.1/Force/iiforce.c
rmg-release_2.1/Force/CorrectForces.cpp
rmg-release_2.1/Force/Nlccforce.cpp
rmg-release_2.1/Force/CMakeLists.txt
rmg-release_2.1/Force/Lforce.cpp
rmg-release_2.1/Force/constrain.c
rmg-release_2.1/Force/Force.cpp
rmg-release_2.1/Force/VirtualForces.cpp
rmg-release_2.1/Force/CMakeFiles/
rmg-release_2.1/Force/CMakeFiles/CMakeDirectoryInformation.cmake
rmg-release_2.1/Force/CMakeFiles/progress.marks
rmg-release_2.1/Force/CMakeFiles/Force.dir/
rmg-release_2.1/Force/CMakeFiles/Force.dir/depend.make
rmg-release_2.1/Force/CMakeFiles/Force.dir/build.make
rmg-release_2.1/Force/CMakeFiles/Force.dir/flags.make
rmg-release_2.1/Force/CMakeFiles/Force.dir/CXX.includecache
rmg-release_2.1/Force/CMakeFiles/Force.dir/C.includecache
rmg-release_2.1/Force/CMakeFiles/Force.dir/link.txt
rmg-release_2.1/Force/CMakeFiles/Force.dir/Force.cpp.rpo
rmg-release_2.1/Force/CMakeFiles/Force.dir/cmake_clean_target.cmake
rmg-release_2.1/Force/CMakeFiles/Force.dir/progress.make
rmg-release_2.1/Force/CMakeFiles/Force.dir/cmake_clean.cmake
rmg-release_2.1/Force/CMakeFiles/Force.dir/lforce.c.o
rmg-release_2.1/Force/CMakeFiles/Force.dir/nlccforce.c.o
rmg-release_2.1/Force/CMakeFiles/Force.dir/depend.internal
rmg-release_2.1/Force/CMakeFiles/Force.dir/DependInfo.cmake
rmg-release_2.1/Force/cmake_install.cmake
rmg-release_2.1/Headers/
rmg-release_2.1/Headers/Functional.h
rmg-release_2.1/Headers/my_mpi.h
rmg-release_2.1/Headers/GlobalSums.h
rmg-release_2.1/Headers/rmg_xc.h
rmg-release_2.1/Headers/blacs.h
rmg-release_2.1/Headers/BlasWrappers.h
rmg-release_2.1/Headers/vdW.h
rmg-release_2.1/Headers/InputKey.h
rmg-release_2.1/Headers/transition.h
cd rmg-release_2.1
mkdir build-cpu; cd build-cpu
mkdir: cannot create directory `build-cpu': File exists
cmake -DOPENBABEL_INCLUDES=$INSTDIR/openbabel-2.3.2/install/include/openbabel-2.0/openbabel -DOPENBABEL_LIBRARIES=$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 ..
rmg-release_2.1/Headers/fastonebigheader.h
rmg-release_2.1/Headers/ErrorFuncs.h
rmg-release_2.1/Headers/RmgParallelFft.h
rmg-release_2.1/Headers/species.h
rmg-release_2.1/Headers/Kpoint.h
rmg-release_2.1/Headers/portability.h
rmg-release_2.1/Headers/my_scalapack.h
rmg-release_2.1/Headers/Plots.h
rmg-release_2.1/Headers/RmgGemm.h
rmg-release_2.1/Headers/init_var.h
rmg-release_2.1/Headers/CheckValue.h
rmg-release_2.1/Headers/svn-commit.tmp
rmg-release_2.1/Headers/Solvers.h
rmg-release_2.1/Headers/rmg_control.h
rmg-release_2.1/Headers/svnrev.h
rmg-release_2.1/Headers/BesselRoots.h
rmg-release_2.1/Headers/RmgShm.h
rmg-release_2.1/Headers/Subdiag.h
rmg-release_2.1/Headers/mg.h
rmg-release_2.1/Headers/pe_control.h
rmg-release_2.1/Headers/rmgtypedefs.h
rmg-release_2.1/Headers/input.h
rmg-release_2.1/Headers/pack_3d.h
rmg-release_2.1/Headers/Pw.h
rmg-release_2.1/Headers/RmgException.h
rmg-release_2.1/Headers/cnpy.h
rmg-release_2.1/Headers/BesselRoots.h.sav
rmg-release_2.1/Headers/blas.h
rmg-release_2.1/Headers/RmgInputFile.h
rmg-release_2.1/Headers/Atomic.h
rmg-release_2.1/Headers/rmgthreads.h
rmg-release_2.1/Headers/grid.h
rmg-release_2.1/Headers/lbfgs.h
rmg-release_2.1/Headers/common_prototypes.h
rmg-release_2.1/Headers/macros.h
rmg-release_2.1/Headers/make_conf.h
rmg-release_2.1/Headers/GpuAlloc.h
rmg-release_2.1/Headers/InternalPseudo.h
rmg-release_2.1/Headers/common_prototypes1.h
rmg-release_2.1/Headers/State.h
rmg-release_2.1/Headers/main.h
rmg-release_2.1/Headers/rmg_alloc.h
rmg-release_2.1/Headers/const.h
rmg-release_2.1/Headers/typedefs.h
rmg-release_2.1/Headers/remap_3d.h
rmg-release_2.1/Headers/InputOpts.h
rmg-release_2.1/Headers/Scalapack.h
rmg-release_2.1/Headers/RmgThread.h
rmg-release_2.1/Headers/MapElements.h
rmg-release_2.1/Headers/AtomicInterpolate.h
rmg-release_2.1/Headers/params.h
CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg.inc:5 (add_dependencies):
  Policy CMP0046 is not set: Error on non-existent dependency in
  add_dependencies.  Run "cmake --help-policy CMP0046" for policy details.
  Use the cmake_policy command to set the policy and suppress this warning.

  The dependency target "libspg" of target "rmg-cpu" does not exist.
Call Stack (most recent call first):
  CMakeLists.txt:589 (include)
This warning is for project developers.  Use -Wno-dev to suppress it.

-- Boost version: 1.53.0
-- Found the following Boost libraries:
--   thread
--   system
--   iostreams
--   program_options
--   filesystem
-- Configuring done
nice make -j12 rmg-cpu
-- Generating done
-- Build files have been written to: /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/build-cpu
[  1%] [  1%] Built target MG
Built target InternalPseudo
[  5%] Built target XC1
[  7%] Built target Force
[  8%] Built target RMG_Spin
[ 14%] Built target RmgLib
[ 20%] Built target XC
[ 24%] Built target RMG_Subdiag
[ 29%] Built target Finite_diff
[ 29%] [ 29%] Building CXX object Input/CMakeFiles/Input.dir/ReadRmgAtoms.cpp.o
Building CXX object Input/CMakeFiles/Input.dir/ReadTFAtoms.cpp.o
[ 34%] Built target RMG_Spin_XC
[ 44%] Built target US_PP
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/LinePlot.cpp:15:22: fatal error: plstream.h: No such file or directory
 #include <plstream.h>
                      ^
compilation terminated.
make[3]: *** [Misc/CMakeFiles/Misc.dir/LinePlot.cpp.o] Error 1
make[3]: *** Waiting for unfinished jobs....
[ 44%] [ 44%] [ 45%] [ 45%] [ 45%] [ 46%] [ 46%] [ 46%] Building CXX object Misc/CMakeFiles/Misc.dir/LinePlot.cpp.o
[ 47%] Building CXX object Misc/CMakeFiles/Misc.dir/GpuAlloc.cpp.o
Building CXX object Misc/CMakeFiles/Misc.dir/GpuAllocHost.cpp.o
Building CXX object Misc/CMakeFiles/Misc.dir/RmgTimer_Cbindings.cpp.o
Building CXX object Misc/CMakeFiles/Misc.dir/GlobalSums.cpp.o
Building CXX object Misc/CMakeFiles/Misc.dir/BaseThread_Cbindings.cpp.o
Building CXX object Misc/CMakeFiles/Misc.dir/TradeImages_Cbindings.cpp.o
Building CXX object Misc/CMakeFiles/Misc.dir/GlobalSums_Cbindings.cpp.o
Building CXX object Misc/CMakeFiles/Misc.dir/RmgSumAll_Cbindings.cpp.o
[ 73%] Built target RMG_Common
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Input/ReadRmgAtoms.cpp:32:27: fatal error: openbabel/mol.h: No such file or directory
 #include <openbabel/mol.h>
                           ^
compilation terminated.
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Input/ReadTFAtoms.cpp:32:27: fatal error: openbabel/mol.h: No such file or directory
 #include <openbabel/mol.h>
                           ^
compilation terminated.
make[3]: *** [Input/CMakeFiles/Input.dir/ReadRmgAtoms.cpp.o] Error 1
make[3]: *** Waiting for unfinished jobs....
make[3]: *** [Input/CMakeFiles/Input.dir/ReadTFAtoms.cpp.o] Error 1
make[2]: *** [Input/CMakeFiles/Input.dir/all] Error 2
make[2]: *** Waiting for unfinished jobs....
make[2]: *** [Misc/CMakeFiles/Misc.dir/all] Error 2
make[1]: *** [CMakeFiles/rmg-cpu.dir/rule] Error 2
make: *** [rmg-cpu] Error 2

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/rmg-release_2.1/build-cpu/rmg-cpu ./
cat run.pbs | sed -e "s/aprun/time aprun/g"  > 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" > 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=6157552.bw
=== RUNNING /u/staff/arnoldg/ior/wait_for.sh ===
Wed Feb 15 14:21:21 CST 2017: waiting for 6157552.bw to finish
Wed Feb 15 14:26:21 CST 2017: waiting for 6157552.bw to finish
Wed Feb 15 14:31:21 CST 2017: waiting for 6157552.bw to finish
Wed Feb 15 14:36:21 CST 2017: waiting for 6157552.bw to finish
Wed Feb 15 14:41:21 CST 2017: waiting for 6157552.bw to finish
Wed Feb 15 14:46:21 CST 2017: waiting for 6157552.bw to finish
Wed Feb 15 14:51:22 CST 2017: waiting for 6157552.bw to finish
Wed Feb 15 14:56:22 CST 2017: waiting for 6157552.bw to finish
qstat: Unknown Job Id Error 6157552.bw
tail *.log > ~/rmg-spp/rmg.logtail.txt
bash: line 76: /var/lib/jenkins/rmg-spp/rmg.logtail.txt: No such file or directory

grep "real" z302water_cpu100.o*
grep: z302water_cpu100.o*: No such file or directory
MYREALTIME=`egrep "real\s" z302water_cpu100.o* | cut -dl -f2 | cut -dm -f1` 
egrep "real\s" z302water_cpu100.o* | cut -dl -f2 | cut -dm -f1
egrep: z302water_cpu100.o*: No such file or directory
echo "YVALUE= $MYREALTIME" > ~/rmg-spp/rmg.realtime
bash: line 80: /var/lib/jenkins/rmg-spp/rmg.realtime: No such file or directory
cat -n ~/rmg-spp/rmg.realtime
cat: /var/lib/jenkins/rmg-spp/rmg.realtime: No such file or directory
6157552.bw finished
[SSH] exit-status: 1
Build step 'Execute shell script on remote host using ssh' marked build as failure
Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/rmg-spp-newpe/rmg.realtime
Finished: FAILURE