Started by user <a href='/user/arnoldg' class='jenkins-table__link model-link model-link--float'>arnoldg</a>
Building on master in workspace /var/lib/jenkins/workspace/nwchem-spp
executing script:

set -v
rm -rf nwchem-spp
mkdir nwchem-spp
cd nwchem-spp
tar xf ~arnoldg/spp/Nwchem*.tar
cd nwchem-6.6

module swap craype craype/2.5.1
module swap PrgEnv-cray PrgEnv-gnu
module add papi/5.4.1.3
 
export NWCHEM_TOP=`pwd`
export NWCHEM_MODULES="nwpw driver stepper mp2_grad rimp2 ccsd property hessian vib"
export FC=ftn
export CC=cc
export MSG_COMMS=MPI
export TARGET=LINUX64
export NWCHEM_TARGET=LINUX64
export ARMCI_NETWORK=MPI-PR
export HAS_BLAS=yes
export BLAS_OPT=''
export LIBMPI=''
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export USE_64TO32=y
export MA_USE_ARMCI_MEM=Y
export BLAS_SIZE=4
export LAPACK_SIZE=4
export SCALAPACK_SIZE=4
export SCALAPACK=-lsci_gnu
export BLASOPT=-lsci_gnu
export GA_DIR=ga-5-4
export USE_PAPI=y
export PAPI_LIB=/opt/cray/papi/5.4.1.3/lib
export PAPI_INCLUDE=/opt/cray/papi/5.4.1.3/include
export USE_NOFSCHECK=TRUE
export USE_NOIO=TRUE
 
cd $NWCHEM_TOP/src
make 64_to_32  # apply only once to the build or it will break
#make realclean
make nwchem_config
make FC=ftn GA_DIR=ga-5-4

ls -l ~/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem


echo "#!/bin/bash" &gt; nwchem.pbs
echo "#PBS -j oe" &gt;&gt; nwchem.pbs
echo "#PBS -lnodes=100:ppn=32" &gt;&gt; nwchem.pbs
echo "#PBS -lwalltime=00:30:00" &gt;&gt; nwchem.pbs
echo "#PBS -N z05" &gt;&gt; nwchem.pbs
echo "cd $PBS_O_WORKDIR" &gt;&gt; nwchem.pbs
echo "cp ~arnoldg/spp/flops.nw ." &gt;&gt; nwchem.pbs
echo "aprun -n 800 -N 8 -d 4  ~/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem flops.nw &gt; job.t.out" &gt;&gt; nwchem.pbs
echo "cp -f job.t.out ~/nwchem-spp/" &gt;&gt; nwchem.pbs
echo "tail -100 job.t.out &gt; job.t.out.100" &gt;&gt; nwchem.pbs
echo "grep cpu: job.t.out &gt; job.t.out.100.cpu" &gt;&gt; nwchem.pbs
echo "cp -f job.t.out.* ~/nwchem-spp/ " &gt;&gt; nwchem.pbs

cat -n nwchem.pbs
MYJOBID=`qsub nwchem.pbs`
echo MYJOBID=$MYJOBID
~arnoldg/ior/wait_for.sh $MYJOBID
cd ~/nwchem-spp/
YVALUE=`cat job.t.out.100.cpu | grep Total | cut -d: -f3 | sed -e s/s//`
echo YVALUE="$YVALUE" &gt; totaltime.txt
[SSH] Exception:verify: false
com.jcraft.jsch.JSchException: verify: false
	at com.jcraft.jsch.Session.connect(Session.java:295)
	at com.jcraft.jsch.Session.connect(Session.java:150)
	at org.jvnet.hudson.plugins.SSHSite.createSession(SSHSite.java:141)
	at org.jvnet.hudson.plugins.SSHSite.executeCommand(SSHSite.java:151)
	at org.jvnet.hudson.plugins.SSHBuilder.perform(SSHBuilder.java:60)
	at hudson.tasks.BuildStepMonitor$1.perform(BuildStepMonitor.java:20)
	at hudson.model.AbstractBuild$AbstractBuildExecution.perform(AbstractBuild.java:744)
	at hudson.model.Build$BuildExecution.build(Build.java:206)
	at hudson.model.Build$BuildExecution.doRun(Build.java:163)
	at hudson.model.AbstractBuild$AbstractBuildExecution.run(AbstractBuild.java:504)
	at hudson.model.Run.execute(Run.java:1727)
	at hudson.model.FreeStyleBuild.run(FreeStyleBuild.java:43)
	at hudson.model.ResourceController.execute(ResourceController.java:97)
	at hudson.model.Executor.run(Executor.java:429)
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/nwchem-spp/totaltime.txt
Finished: FAILURE