#!/bin/bash #SBATCH --job-name= #SBATCH --nodes=1 #SBATCH --ntasks-per-node=16 #SBATCH --error=myjob.%J.err #SBATCH --output=myjob.%J.out #SBATCH --partition=main #SBATCH -v cd /your-path source /home/SSM_grp/sairam/software/g09/bsd/g09.profile MACHINEFILE=machinefile scontrol show hostname $SLURM_JOB_NODELIST > $MACHINEFILE export GAUSS_SCRDIR=/your-path/gauss_scrdir g09 < test.com > test.log