Difference between revisions of "Talk:Useful PBS scripts"
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import>Mm695 (CPMD runscript for when several nodes are used) |
import>Mm695 (CPMD runscript for when several nodes are used) |
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| Line 1: | Line 1: | ||
| − | # |
+ | '#'PBS -q s32 |
| − | # |
+ | '#'PBS -l walltime=18:00:00 |
| − | # |
+ | '#'PBS -l nodes=8:ppn=4 |
HERE=/home/mm695/whatever |
HERE=/home/mm695/whatever |
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| Line 34: | Line 34: | ||
cd $SCRATCH |
cd $SCRATCH |
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| ⚫ | |||
| − | # |
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| + | |||
| ⚫ | |||
| − | # |
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echo "Starting job $PBS_JOBID" |
echo "Starting job $PBS_JOBID" |
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echo |
echo |
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Revision as of 17:30, 12 March 2008
'#'PBS -q s32
'#'PBS -l walltime=18:00:00
'#'PBS -l nodes=8:ppn=4
HERE=/home/mm695/whatever
file=dho2498_singlePoint
inpfile=${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
'#'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
qstat -f $PBS_JOBID