Apache Airavata
#!/bin/sh
#PBS -m bae
#PBS -N default_job
#PBS -q normal
#PBS -M ccg-admin@gridchem.uits.iu.edu
#PBS -V
#PBS -j oe
#PBS -l walltime=4:30:0,nodes=1:ppn=8
#PBS -A uic151
set -x
export X509_USER_PROXY=/home/gridchem/spamidig/tempdirs/tempdirG1o_AxZ/x509up_p11500.fileZMyQbl.1
###2007/05/03 export LD_LIBRARY_PATH=/opt/gnu/gmp/lib:/opt/gnu/mpc/lib:/opt/gnu/gcc/lib64:/opt/gnu/mpfr/lib:/opt/gnu
/lib:/opt/gnu/lib64:/opt/mvapich2/pgi/ib/lib:/opt/pgi/linux86-64/13.2/libso # NOT NEEDED
jobid=`echo $PBS_JOBID |sed 's/\..*//' `
jobdir="default_job.trestles.sdsc.teragrid.org.$jobid.141125"
export OutDir=/home/gridchem/spamidig/spamidig_proj/$jobdir
export OutDir0=/home/gridchem/spamidig/spamidig_proj
if [ ! -d $OutDir0 ] ; then
echo "Making dir: $OutDir0";
mkdir -p $OutDir0 || exit 1; # let us stop if we can not make this dir - it is too important
fi
# we need to export SCRATCH_BATCH
export HOME_BATCH=/home/gridchem/spamidig/spamidig_proj/$jobdir
export SCRATCH_BATCH=/oasis/scratch/trestles/$USER/$PBS_JOBID
if [ ! -d $HOME_BATCH ] ; then
echo "Linking HOME_BATCH to SCRATCH_BATH: $HOME_BATCH -> $SCRATCH_BATCH" ;
ln -s $SCRATCH_BATCH $HOME_BATCH || exit 1;
fi
# change directory to SCRATCH_BATCH
cd $SCRATCH_BATCH
pwd
# 2006/03/31 make a link of the Outdir into OutDir for convenience
#/bin/ln -s /home/gridchem/spamidig/tempdirs/tempdirG1o_AxZ $OutDir/
###which uberftp
###echo "DEBUG: TEMP01AAAAAA 20070301 skk "; ls -l $X509_USER_PROXY
cp -p /home/gridchem/spamidig/tempdirs/tempdirG1o_AxZ/*.par ./ddscat.par
cp -p /home/gridchem/spamidig/tempdirs/tempdirG1o_AxZ/*.tab ./
cp -p /home/gridchem/spamidig/tempdirs/tempdirG1o_AxZ/*.* ./
Diskoutputfile_with_dir=$SCRATCH_BATCH/default_job.out
trap ". /home/gridchem/spamidig/tempdirs/tempdirG1o_AxZ/qsubin11505_cleanup ; exit 99 " XCPU INT TERM CHLD
cp -p /home/gridchem/spamidig/tempdirs/tempdirG1o_AxZ/*.* /oasis/scratch/trestles/$USER/$PBS_JOBID
. /etc/profile.d/modules.sh; module load mkl/10.3.3;ldd /home/gridchem/apps/ddscat/ddscat7.2.2/src/ddscat
mpirun_rsh -np 8 -hostfile $PBS_NODEFILE /home/gridchem/apps/ddscat/ddscat7.2.2/src/ddscat >& default_job.out
. /home/gridchem/spamidig/tempdirs/tempdirG1o_AxZ/qsubin11505_cleanup