This version is outdated by a newer approved version.This version (2017/09/08 10:26) is a draft.
Approvals: 0/1
Approvals: 0/1
This is an old revision of the document!
Currently installed software
<html> <b> Note: </b> </html> In order to use one of the following applications,
- <html> <font color=#cc3300><b> Gaussian, VASP, Wien2k,</b></font> </html>
the user has to be <html> <font color=#cc3300><b> member</b></font> </html> of the respective user group. Please, contact us for adding you to the user group.
VSC-2
When logged in on VSC-2, currently installed software and available libraries can be listed by
[username@l21 ~]$ ls /opt/ # and [username@l21 ~]$ ls /opt/sw/
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:
- <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 bymodule avail
.
- 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
Documentation of the following software is available (list incomplete):
Remarks
Recommendations
- large jobs with more than 1024 cores
- memory_intensive intensive jobs requiring more than 2 GB per core
- user defined prolog and epilog scripts