For submitting the job: $ msub -N [name of the job] -l nodes=[no. of nodes]:ppn=8(constant) -o [outputfile] -e [error log] -d [execution directory] -q [queue name] [submit script]
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#!/bin/bash # cd /home/ SCRATCH_JOB=/scratch/$USER/working-path pwd=/home/(your hpc username)/your-working-path(meaning the complete output of pwd) date echo " job started" mast=`hostname` echo $mast for i in `cat $PBS_NODEFILE|uniq` do ssh $i rm -rf $SCRATCH_JOB ssh $i mkdir -p $SCRATCH_JOB ssh $i cp -r $pwd/* $SCRATCH_JOB chmod 700 $SCRATCH_JOB done cd $SCRATCH_JOB rm -f temp.1 temp.2 NP=`cat $PBS_NODEFILE|wc -l` #date > job_runfile #echo "dummy job executed " >> job_runfile #pwd >> job_runfile #ls -l >> job_runfile #echo " i am done leaving job " >> job_runfile mpiexec -machinefile $PBS_NODEFILE -np $NP /opt/vasp/vasp-openmpi-4.6 echo "$NP" cp -Rf * $pwd for i in `cat $PBS_NODEFILE|uniq` do ssh $i rm -vrf $SCRATCH_JOB done date echo " job done" |
