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doku:software [2017/09/08 09:26] – [Documentation] ir
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 +====== 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, __**[[doku:contact|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
 +<code>
 +[username@l21 ~]$ ls /opt/                  # and
 +[username@l21 ~]$ ls /opt/sw/
 +</code>
 +
 +==== VSC-3 ====
 +
 +In order to set environment variables needed for a specific application, the **module** environment may be used:
 +<code>
 +[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
 +</code>
 + 
 +== 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 by ''module 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):
 +
 +
 +
 +  *[[doku:abaqus6|Abaqus 6]]
 +  *[[doku:antares-vsc2|ANTARES]]
 +  *[[doku:blas|BLAS libraries]]
 +  *[[doku:cmtk|Computational Morphometry Toolkit (CMTK)]]
 +  *[[doku:cp2k|cp2k-2.4.0]]
 +  *[[doku:desmond|desmond]]
 +  *[[doku:flash| FLASH]]
 +  * [[http://www.fftw.org/|FFTW]]
 +  * [[http://www.gaussian.com/|Gaussian]]
 +  * [[http://www.gnuplot.info|gnuplot]]
 +  *[[doku:gaussian09|Gaussian09]]
 +  * [[http://www.wolfram.com/mathematica/|Mathematica]]
 +  * [[http://www.mathworks.de/products/matlab/|Matlab]]
 +  *[[doku:mathematica|Mathematica jobs]]
 +  *[[doku:matlab|Matlab jobs]]
 +  *[[doku:nag|NAG]]
 +  * [[http://www.paraview.org/|Paraview]]
 +  *[[doku:rstat|R]]
 +  *[[doku:scalapack|ScaLAPACK]]
 +  * [[http://www.scalasca.org/|scalasca]]
 +  *[[doku:simple|Single-particle IMage Processing Linux Engine]]
 +  *[[doku:stacks|STACKS]]
 +  * [[http://www.cs.uoregon.edu/Research/tau/home.php|Tau]]
 +  *[[doku:telemac|Telemac]]
 +  * [[doku:vasp-vsc2|VASP on VSC-2]]
  
  • doku/software.txt
  • Last modified: 2023/12/27 10:19
  • by amelic