#!/bin/bash
#SBATCH --time=72:00:00
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=10
#SBATCH --mem-per-cpu=3GB
#SBATCH --partition=short

source /usr/local/sbin/modules.sh

module load VASP/5.4.4-intel2021a
export I_MPI_PMI_LIBRARY=/opt/slurm/current/lib64/libpmi.so
cd $SLURM_SUBMIT_DIR

srun -n 10 vasp_ncl > log