#!/bin/bash -l
#SBATCH --job-name=VASP_UZr2
#SBATCH --account=def-jerzy
#SBATCH --nodes=1
#SBATCH --tasks-per-node=48
#SBATCH --mem=0
#SBATCH --time=10:00:00

# Load required modules
module load StdEnv/2023
module load intel/2023.2.1 intelmpi/2021.9.0

    # Run VASP calculation
   srun /project/6001430/vasp/VASPv6.5.0/bin/vasp_std