ACRES - Software - Gaussian16

Gaussian16

Gaussian 16 Linux version was purchased by Drs. Mario Wriedt and Jingyun Ye, Department of Chemistry & Biomolecular Science. Broad campus-wide usage of this software is encouraged but potential users should contact the software owners before using it. Frequent users would be encouraged to contribute to the costs of this software.

Jobs are submitted using SBATCH scripts.

Example SBATCH for parallel job with 4 nodes:

#!/bin/bash
#SBATCH --job-name=gaussian16
#SBATCH --output=gaussian-results.txt
#SBATCH --nodes=4
#SBATCH --time=00:10:00
#SBATCH --partition=general
#SBATCH --mail-user=user@clarkson.edu
#SBATCH --mail-type=ALL

module purge

module load gaussian/16c01

## Enter your gaussian commands below

Save the submission script as "filename.sh" and submit to scheduler using:

sbatch filename.sh

For more information about Gaussian and its use, please see https://gaussian.com/g16main/