#!/bin/bash
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=40
#SBATCH --output=output
#SBATCH --time=24:00:00
#SBATCH --mem=0
#SBATCH --account=def-jerzy

module load  lammps-user-intel/20180822

echo "PWscf started at: `date`"
#srun   lmp < UAl2_Lz.in
srun   lmp < ual2_eqm.in