#!/bin/bash
#SBATCH --job-name=FeGeomBU
#SBATCH --ntasks=20
#SBATCH --time=0-04:00:00
#SBATCH --mail-type=begin,end,fail,requeue
#SBATCH --out=forge-%j.out

mpirun pw.x -procs 20 -i /path/to/your/inputfile/FeGeom2BU.pw.in