# gaussian

## Summary

+ **Module Name:** gaussian
+ **Support Level:** Primary Support
+ **Software Access Level:** RESTRICTED - Contact Helpdesk
+ **Home Page:** [http://www.gaussian.com/](http://www.gaussian.com/)

## Software Description

Gaussian performs semiempirical and ab initio molecular orbital (MO),
density functional, and molecular mechanics calculations.

To use this
program at MSI, please send a request to <help@msi.umn.edu> and ask to
be added to the Gaussian group. To use Gaussian, you need to be a
researcher at the Twin Cities campus.

MSI is in the process of
deprecating some older, unused versions of Gaussian. Below is a list of
modules that are slated for removal, and for each, a corresponding
supported module. If you are using one of the deprecated modules, please
transition to the listed supported module.

- **Deprecated Module : Supported Module**
- gaussian/g09.d01 : gaussian/g09.e01
- g03 : gaussian/g16.b01
## General Linux

To view all available Gaussian versions use the command:

    module avail gaussian

To load and start Gaussian 09 on Agate use the commands:

    module load gaussian/g09.e01
    qg09 [options] input_file

For a list of options use the command:

    qg09 -h

To load and start Gaussian 16 on Agate use the commands:

    module load gaussian
    qg16 [options] input_file

For a list of options use the command:

    qg16 -h

If you encounter the error: \"qg09: Command not found.\", or something
similar, you are probably not part of the Gaussian access group. Please
contact <help@msi.umn.edu> with a request to be added. When submitting
your job script ensure that the amount of memory you request in your
Gaussian script, \"%mem\", is less than the amount of memory you request
in your Slurm script, "#SBATCH --mem=".
## Slurm Example


	#!/bin/bash
	#SBATCH --job-name="rfm_RunGaussianTest_job"
	#SBATCH --ntasks=4
	#SBATCH --ntasks-per-node=4
	#SBATCH --output=rfm_RunGaussianTest_job.out
	#SBATCH --error=rfm_RunGaussianTest_job.err
	#SBATCH --time=0:10:0
	#SBATCH -p msismall
	module load gaussian/g16.c01
	wget https://public.s3.msi.umn.edu/reframe/sw/gaussian/oh.com
	g16 < oh.com