Differences

This shows you the differences between two versions of the page.

--- doku:software [2017/09/08 11:12] – [Documentation] ir
+++ doku:software [2023/02/17 18:04] – msiegel
@@ Line 1: / Line 1: @@
 ====== 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>
+<html> <font color=#cc3300>
-the user has to be <html> <font color=#cc3300><b> member</b></font> </html> of the respective user group.
+  * Gaussian
-Please, __**[[doku:contact|contact]]**__ us for adding you to the user group.
+  * VASP
-==== VSC-2 ====
+  * Wien2k
+the user has to be **member** of the respective user group.
+Please, [[doku:contact|contact]] us for adding you to the user group.
-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:AMBER]]
-  *[[doku:abaqus6|Abaqus 6]]
+  * [[doku:ANTARES]]
-  *[[doku:antares-vsc2|ANTARES]]
+  * [[doku:blas|Linking to BLAS libraries]]
-  *[[doku:blas|Linking to BLAS libraries]]
+  * [[doku:cmtk|Computational Morphometry Toolkit (CMTK)]]
-  *[[doku:cmtk|Computational Morphometry Toolkit (CMTK)]]
+  * [[doku:cp2k|cp2k-2.4.0]]
-  *[[doku:cp2k|cp2k-2.4.0]]
+  * [[doku:desmond]]
-  *[[doku:desmond|desmond]]
+  * [[doku:FLASH]]
-  *[[doku:flash| FLASH]]
+  * [[fft|fft libraries]]
-  *[[fft|fft libraries]]
   * [[http://www.fftw.org/|FFTW]]
   * [[http://www.gaussian.com/|Gaussian]]
-  *[[doku:gaussian09|Gaussian09]]
+  * [[doku:Gaussian09]]
   * [[http://www.gnuplot.info|gnuplot]]
+  * [[doku:GROMACS]]
   * [[http://www.wolfram.com/mathematica/|Mathematica]]
-  *[[doku:mathematica|Mathematica jobs on VSC]]
+  * [[doku:mathematica|Mathematica jobs on VSC]]
   * [[http://www.mathworks.de/products/matlab/|Matlab]]
-  *[[doku:matlab|Matlab jobs on VSC]]
+  * [[doku:matlab|Matlab jobs on VSC]]
-  * [[mpi-helium-vsc2|MPI-Helium]]
+  * [[MPI-Helium]]
-  *[[doku:nag|NAG]]
+  * [[doku:NAG]]
-  *[[nwchem-vsc2|NWChem]]
+  * [[nwchem-vsc2|NWChem]]
   * [[http://www.paraview.org/|Paraview]]
-  *[[doku:rstat|R]]
+  * [[doku:rstat|R]]
-  *[[doku:scalapack|ScaLAPACK compile options]]
+  * [[doku:scalapack|ScaLAPACK compile options]]
   * [[http://www.scalasca.org/|scalasca]]
-  *[[doku:simple|Single-particle IMage Processing Linux Engine]]
+  * [[doku:simple|Single-particle IMage Processing Linux Engine]]
-  *[[doku:stacks|STACKS]]
+  * [[doku:STACKS]]
   * [[http://www.cs.uoregon.edu/Research/tau/home.php|Tau]]
-  *[[doku:telemac|Telemac]]
+  * [[doku:Telemac]]
-  * [[doku:vasp-vsc2|VASP]]
+  * [[doku:VASP]]
-  * [[wien2k-vsc2|WIEN2k]]
+  * [[WIEN2k]]
-  * [[wrf-vsc2|WRFV3]]
+  * [[wrf|WRFV3]]