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job.cp2k.slurm
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Created: Tue, Jul 15, 15:04

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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