SLURM Submit script example
For more information use the Job Script Generator.
adf_example.slm
#!/bin/bash #SBATCH -J cp2k_example #SBATCH -e cp2k_example.err #SBATCH -o cp2k_example.out #SBATCH -p std #SBATCH --nodes=1 #SBATCH --ntasks=1 #SBATCH --cpus-per-task=1 #SBATCH --mem=4G module load apps/cp2k/6.1 INPUT_DIR=${PWD} OUTPUT_DIR=${PWD} cd $TMPDIR cp -r $INPUT_DIR $TMPDIR cp2k cp2k_example.inp cp2k_example.out cp ./* $OUTPUT_DIR