#!/bin/bash
#SBATCH -J vasp-6.1.1-case
#SBATCH --ntasks-per-node=8
#SBATCH --nodes=1
#SBATCH --time=24:00:00

module load intel/20.0.2 mvapich2/2.3.3-py-3.8.6
module load vasp/6.1.1-py-3.8.6

ulimit -s unlimited

mpirun -np $SLURM_NTASKS vasp_std