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doku:software [2022/06/23 13:38] – [Documentation] msiegeldoku:software [2023/12/27 10:19] (current) – old revision restored (2023/03/20 15:03) amelic
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 ====== Currently installed software ====== ====== Currently installed software ======
  
-<html> <b>  Note: </b>  </html> +In order to use one of the following applications:
-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-3 ====+  * Gaussian 
 +  * VASP 
 +  * Wien2k
  
-In order to set environment variables needed for a specific application, the **module** environment may be used: +the user has to be **member** of the respective user group. 
-<code> +Please, [[doku:contact|contact]] us for adding you to the user group.
-[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): Documentation of the following software is available (list incomplete):
  
   * [[doku:abaqus6|Abaqus 6]]   * [[doku:abaqus6|Abaqus 6]]
-  * [[doku:AMBER]]+  * [[doku:ansys|ANSYS]]
   * [[doku:ANTARES]]   * [[doku:ANTARES]]
   * [[doku:blas|Linking to BLAS libraries]]   * [[doku:blas|Linking to BLAS libraries]]
 +  * [[doku:comsol|COMSOL]]
   * [[doku:cmtk|Computational Morphometry Toolkit (CMTK)]]   * [[doku:cmtk|Computational Morphometry Toolkit (CMTK)]]
-  * [[doku:cp2k|cp2k-2.4.0]] 
   * [[doku:desmond]]   * [[doku:desmond]]
   * [[doku:FLASH]]   * [[doku:FLASH]]
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   * [[http://www.gnuplot.info|gnuplot]]   * [[http://www.gnuplot.info|gnuplot]]
   * [[doku:GROMACS]]   * [[doku:GROMACS]]
 +  * [[doku:molecular_dynamics|LAMMPS]]
   * [[http://www.wolfram.com/mathematica/|Mathematica]]   * [[http://www.wolfram.com/mathematica/|Mathematica]]
   * [[doku:mathematica|Mathematica jobs on VSC]]   * [[doku:mathematica|Mathematica jobs on VSC]]
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   * [[nwchem-vsc2|NWChem]]   * [[nwchem-vsc2|NWChem]]
   * [[http://www.paraview.org/|Paraview]]   * [[http://www.paraview.org/|Paraview]]
 +  * [[doku:python|Python]]
   * [[doku:rstat|R]]   * [[doku:rstat|R]]
   * [[doku:scalapack|ScaLAPACK compile options]]   * [[doku:scalapack|ScaLAPACK compile options]]
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   * [[http://www.cs.uoregon.edu/Research/tau/home.php|Tau]]   * [[http://www.cs.uoregon.edu/Research/tau/home.php|Tau]]
   * [[doku:Telemac]]   * [[doku:Telemac]]
-  * [[doku:VASP]]+  * [[doku:molecular_dynamics|VASP]]
   * [[WIEN2k]]   * [[WIEN2k]]
   * [[wrf|WRFV3]]   * [[wrf|WRFV3]]
  
  • doku/software.1655991497.txt.gz
  • Last modified: 2022/06/23 13:38
  • by msiegel