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job.cp2k.slurm
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Fri, Sep 20, 07:05
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rSCEXAMPLES SCITAS examples on how to run on the clusters
job.cp2k.slurm
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#!/bin/bash -l
#SBATCH -J cp2k
#SBATCH --mem=18000
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=16
#SBATCH --time=00:05:00
module load cp2k/2.6.0/intel-15.0.0
srun $CP2K -i test.inp -o test.out
joberror=$?
exit $joberror
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