#!/bin/bash   
#SBATCH -J my_job_LiMnO2
#SBATCH -N 1
#SBATCH -n 16
#SBATCH -o %x.e%j
#SBATCH -e %x.e%j.err
#SBATCH --mem-per-cpu=7675
#SBATCH -p AMG-medium


module load Compiler/Intel/17u8 Q-Ch/VASP/5.4.4_OMC ScriptLang/python/3.6i_2018u3 Q-Ch/Gaussian/16.RevA03
ulimit -s unlimited

# cd /home/user/project_folder # provide the folder if the script is submitted not from project folder

mpirun vasp_std >log