job.cpmd.slurm
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	#!/bin/bash -l
	#SBATCH -J cmpd
	#SBATCH --nodes=1
	#SBATCH --ntasks-per-node=16
	#SBATCH --mem=20000
	#SBATCH --time=00:05:00

	module purge
	module load intel intel-mpi intel-mkl cpmd

	# or alternatively:
	# module load gcc mvapich2 openblas cpmd

	srun cpmd.x test.inp &> test.out