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A quantum chemistry package.

Availability: 

The Department of Chemistry only makes this software available to research groups who have contributed towards the cost of acquiring the media.

Linux machines in Chemistry

Within the Department of Chemistry this package is installed on all managed Linux workstations but can only be used by research groups who have contributed to the cost of the software. Access is controlled by membership of the gaussian16 Unix group. If you are a member of the Department of Chemistry and your group would like to get access to the Linux software please email support@ch.cam.ac.uk for the price, which is per-group and covers as many machines as you want provided they are physically located at the University.

Members of groups who have contributed to the cost of the Linux software may also install it on unmanaged Linux machines physically located within the University. Please see here for details.

Gaussian 16 in other parts of the University

The licence Chemistry has arranged for Gaussian 16 covers the whole University. Other departments can access the software either by purchasing media sets directly from Gaussian, Inc or by arranging with Chemistry to pay a share of the licence cost and then getting the software via Chemistry. Contact support@ch.cam.ac.uk for details. 

Other software from Gaussian

The University has site licences for Gaussian 09 for Linux and Mac, Gaussian 03 for Linux, Gaussview 5 for Linux and Mac, and Gaussview 6 for Linux and Mac.

Instructions for users: 

On managed Linux machines load the gaussian16 module to access the software. The program itself is called g16. We have several different gaussian16 module versions available which support different CPU types. If you have trouble with Gaussian crashing with messages like 'illegal instruction' you probably need to try a module for a different CPU type. The gaussian16/16-A03/x86_64 module should work on all managed Linux machines but will not give the fastest performance on modern CPUs.

We also have Gaussview 6 (a graphical frontend to Gaussian) available. Loading the gaussian module will also make gaussview available in your environment. Type gview to start it.

Licence Details: 

Proprietary commercial software.

Admin notes: 

Gaussian16 group

Access to Gaussian 16 is restricted by a nested group which is stored in Admitto for most machines. Some of the clusters have the group locally. New users are supposed to be added automatically. If a new research group contributes to the cost of media, add their '-users' group to the gaussian16 group in AD, update the list of groups contributing to Gaussian 16.

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