#!/bin/bash
#PBS -j eo
#PBS -r n
#PBS -l nodes=1:ppn=8
#PBS -l walltime=24:00:00
#PBS -V
hostname
date
cd $PBS_O_WORKDIR
module load  MPI/impi/2017.0.4 MKL/2017.4.239 Compiler/GCC/5.3.1  quantum_espresso/6.2.1/intel/2017/mpi/GCC/5.3.1



mpirun  pw.x -in $PBS_JOBNAME.in > $PBS_JOBNAME.out 

date