archer_slurm.slm

#!/bin/bash

#SBATCH --job-name=336
#SBATCH --mail-type=ALL
#SBATCH --mail-user=lucywhalley@gmail.com
#SBATCH --time=48:00:00
#SBATCH --nodes=8
#SBATCH --ntasks-per-node=48
#SBATCH --cpus-per-task=1

#SBATCH --partition=standard
#SBATCH --account=e05-power-luc
#SBATCH --qos=long

#=========================================

module load epcc-job-env
module load vasp/6

export OMP_NUM_THREADS=1

srun --hint=nomultithread vasp_ncl > vasp.out