#!/bin/bash -l
#SBATCH --job-name=VASP_UO2
#SBATCH --account=def-jerzy
#SBATCH --nodes=1
#SBATCH --tasks-per-node=48
#SBATCH --mem=0
#SBATCH --time=1:00:00

# Load the modules (note different for a local instalation by Ata for v. 6.4.3 and up):
module load StdEnv/2023
module load intel/2023.2.1 intelmpi/2021.9.0 

srun /project/6001430/vasp-6.4.3/bin/vasp_std