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Gaussian is a program that is used in theoretical chemistry to calculate molecular structures. Only members of the UNIX group gaussian can use the program (you can see your groups by using the command groups). If you wish to become a member of the group, please send an email to hpc@zedat.fu-berlin.de.

To use the default version type

module load gaussian

To check for alternative software versions use

module av 

A specific version can be used with e.g.

module load gaussian/g16

Gaussian is normally started with

subg16 <input_file>

If the job should run in a different partition from the default one, this can be specified:

subg16 -c <partition> <input_file>

Further options may be shown via

subg16 -h