#!/bin/bash
#SBATCH --job-name=ThN200
#SBATCH --account=hpc_p_bszpunar
#SBATCH --nodes=2
#SBATCH --tasks-per-node=16
#SBATCH --mem=0             
#SBATCH --time=48:00:00

module load gcc/7.3.0  openmpi/3.1.2  quantumespresso/6.2.2


echo "PWscf started at: `date`"

srun   pw.x  < pw.in  >  pw.out
srun   ph.x  < ph.in  >  ph.out
srun  q2r.x  < q2r.in  >  q2r.out
srun  matdyn.x  < matdyn.in  > matdyn.out
srun  matdyn.x  < phdos.in  > phdos.out


echo "Program finished with exit code $? at: `date`"