Talk:Useful PBS scripts

1. PBS -q s32
2. PBS -l walltime=18:00:00
3. PBS -l nodes=8:ppn=4

HERE=/home/mm695/whatever file=dho2498_singlePoint inpfile=${file}.inp outfile=${file}.out SCRATCH=/scratch/mm695/$file

nodes=`cat $PBS_NODEFILE | uniq` for node in $nodes

do
  rsh $node "rm -f $SCRATCH/*"
  rsh $node "rmdir $SCRATCH"
  rsh $node "mkdir $SCRATCH"
  rsh $node "cp ${HERE}/gromos*   $SCRATCH"
  rsh $node "cp ${HERE}/geom_end_of_sim.crd   $SCRATCH"
  rsh $node "cp ${HERE}/RESTART   $SCRATCH"
  rsh $node "cp ${HERE}/${inpfile}  $SCRATCH"
done

exe=/home/mm695/SOURCE/cpmd.x pp=/home/mm695/pseudopot

cd $SCRATCH ls -la

2. Write out some helpful info to the output file

echo "Starting job $PBS_JOBID" echo echo "PBS assigned me this node:" cat $PBS_NODEFILE echo

mvapichwrapper $exe $inpfile $pp > ${HERE}/${outfile}

for node in $nodes

do
  rsh $node 'mv ${SCRATCH}/* ${HERE}'
  rsh $node 'rm -f ${SCRATCH}/*'       
  rsh $node 'rmdir /scratch/mm695/$file'
done

echo echo qstat -f $PBS_JOBID