Gaussian

In order to use Gaussian, you must be a part of the Linux group “icn”. You can check the groups you belong to by calling the groups command. If you’re not a member of icn and you’d like to use Gaussian, please contact us.

Here’s a job example:

#!/bin/bash
#SBATCH --job-name=test
#SBATCH --output=output.txt
#SBATCH --ntasks=20
#SBATCH --time=0-02:00:00
#SBATCH --account=your_account
#SBATCH --partition=cpucourt

module purge
module load gaussian/g16
source $g16root/g16/bsd/g16.profile
cd /workspace/username/my_folder
g16 EF1Snew.com > EF1Snew.log