Talk:Useful PBS scripts: Difference between revisions
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import>Mm695 (CPMD runscript for when several nodes are used) |
import>Mm695 No edit summary |
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##PBS -q s32 |
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##PBS -l walltime=18:00:00 |
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##PBS -l nodes=8:ppn=4 |
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HERE=/home/mm695/whatever |
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file=dho2498_singlePoint |
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inpfile=${file}.inp |
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outfile=${file}.out |
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SCRATCH=/scratch/mm695/$file |
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nodes=`cat $PBS_NODEFILE | uniq` |
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for node in $nodes |
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do |
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rsh $node "rm -f $SCRATCH/*" |
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rsh $node "rmdir $SCRATCH" |
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rsh $node "mkdir $SCRATCH" |
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rsh $node "cp ${HERE}/gromos* $SCRATCH" |
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rsh $node "cp ${HERE}/geom_end_of_sim.crd $SCRATCH" |
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rsh $node "cp ${HERE}/RESTART $SCRATCH" |
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rsh $node "cp ${HERE}/${inpfile} $SCRATCH" |
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done |
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exe=/home/mm695/SOURCE/cpmd.x |
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pp=/home/mm695/pseudopot |
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cd $SCRATCH |
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# |
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## Write out some helpful info to the output file |
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# |
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echo "Starting job $PBS_JOBID" |
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echo |
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echo "PBS assigned me this node:" |
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cat $PBS_NODEFILE |
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echo |
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mvapichwrapper $exe $inpfile $pp > ${HERE}/${outfile} |
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for node in $nodes |
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do |
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rsh $node 'mv ${SCRATCH}/* ${HERE}' |
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rsh $node 'rm -f ${SCRATCH}/*' |
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rsh $node 'rmdir /scratch/mm695/$file' |
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done |
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qstat -f $PBS_JOBID |
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