#!/bin/bash                                                                                                                                                                                                 
#SBATCH --nodes=4
#SBATCH --tasks-per-node=16
#SBATCH --mem=31G 
#SBATCH --time=04:00:00


module load nixpkgs/16.09  intel/2016.4  openmpi/2.1.1 quantumespresso/6.1
export ESPRESSO_TMPDIR=$SLURM_TMPDIR

echo "PWscf started at: `date`"


srun pw.x  < UAl2.in > UAl2.out
srun ph.x  < ph.in > ph.out
srun q2r.x < q2r.in > q2r.out