#!/bin/bash -1
#SBATCH --account=hpc_p_bszpunar
#SBATCH --nodes=1
#SBATCH --tasks-per-node=16
#SBATCH --mem-per-cpu=1800M
#SBATCH --time=24:00:00
#SBATCH --constraint=avx2

# Load the modules:
module load arch/avx2

module load nixpkgs/16.09  intel/2018.3  openmpi/3.1.2 shengbte/1.1.1

$EBROOTSHENGBTE/bin/thirdorder_espresso.py GaP.in sow 4 4 4  -3  GaP_sc.inecho "PWscf started at: `date`"