#!/bin/bash
#PBS -N testjob #(Job Name)
#PBS -l nodes=1:ppn=16 #(Requests for 16 processors on highmemory node(max 1 node))
#PBS -q qhm_1day #(High Memory queue run on 1 node )
#PBS -l mem=100gb #(Requests 100GB of memory in total )
#PBS -o outtest.log #(Writes output on this file)
#PBS -e Error.log #(Writes Error on this file)
module load <path of the required module>
cd $PBS_O_WORKDIR
mpirun -machinefile $PBS_NODEFILE -np <total no. of ppn among all nodes> <executable binary> <input file>