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a computational chemistry application provided by Gaussian, Inc. |
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License agreement
In order to use Gaussian you have to agree to the following conditions.
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Please contact support with a copy of the following statement, to add your user ID to the Gaussian UNIX group.
Limitations
"Linda parallelism", Cluster/network parallel execution of Gaussian, is not supported at any of our systems. Only "shared-memory multiprocessor parallel execution" is supported, therefore no Gaussian job can use more than a single compute node.
Description
Prerequisites
QuickStart
Environment modules
The following versions have been installed:
| Version | Installation Path | modulefile |
|---|---|---|
| Modules for running on CPUs | ||
| Gaussian 16 Revision C.02 | /sw/chem/g16/g16_C02/skl/g16 | gaussain/g16_revC02 |
Modules for running on GPUs | ||
| Gaussian 16 Revision C.02 | /sw/chem/g16/g16_C02/a100/g16 | gaussain/g16_revC02 |
Example Jobscripts
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|---|---|---|
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#!/bin/bash #SBATCH -p module load |
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