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doku:software

Currently installed software

Note: In order to use one of the following applications,

  • Gaussian, VASP, Wien2k,

the user has to be member of the respective user group. Please, contact us for adding you to the user group.

VSC-3

In order to set environment variables needed for a specific application, the module environment may be used:

[username@l34 ~]$ module avail        # lists the **available** Application-Software,
                                      # Compilers, Parallel-Environment, and Libraries
[username@l34 ~]$ module list         # shows currently loaded package of your session
[username@l34 ~]$ module unload <xyz> # unload a particular package <xyz> from your session
[username@l34 ~]$ module load <xyz>   # load a particular package <xyz> into your session
Note:
  1. <xyz> format corresponds exactly to the output of module avail. Thus, in order to load or unload a selected module, copy and paste exactly the name listed by module avail.
  2. a list of module load/unload directives may also be included in the top part of a job submission script

When all required/intended modules have been loaded, user packages may be compiled as usual.

Documentation

doku/software.txt · Last modified: 2020/04/23 08:36 by ir