#!/usr/bin/bash

if [ $# -ne 1 ]
    then
        printf "Error: Please provide the 'basename_EXT.extinp.tmp file'!\n"
        exit
fi

num_threads=12 # Number of OMP threads

num_procs=1 # Number of MPI processes

python $(which otool_hummr.py) $1 calc_hummr.inp $num_threads $num_procs