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job.molpro.slurm
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Sun, Sep 29, 12:33
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rSCEXAMPLES SCITAS examples on how to run on the clusters
job.molpro.slurm
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#!/bin/bash -l
#SBATCH -J molpro_test
#SBATCH --mem=32000
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=16
#SBATCH --time=0:10:00
module load molpro/2012.1.22/intel-15.0.2_intelmpi
molpro test_big.inp
joberror=$?
exit $joberror
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