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#!/bin/bash #SBATCH -J vasp_example #SBATCH -e vasp_example.err #SBATCH -o vasp_example.out #SBATCH -p std #SBATCH -n 8 #SBATCH -t 0-01:00 module load apps/vasp/5.4.4 ulimit -s unlimited ## # Modify the input and output files! INPUT_FILE={INCAR,KPOINTS,POTCAR,POSCAR} OUTPUT_FILE=OUTCAR ## # You don't need to modify nothing more cp -r ${SLURM_SUBMIT_DIR}/${INPUT_FILE} ${SCRATCH} cd ${SCRATCH} srun $(which vasp_std) cp ./${OUTPUT_FILE} ${SLURM_SUBMIT_DIR} |
The options shown in the example are detailed below. For more information and a more comprehensive list of available options, see the sbatch command page.
-n: Number of tasks.