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doku:software [2017/09/08 09:50]
ir
doku:software [2022/06/23 13:35]
msiegel [Documentation]
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 the user has to be <html> <font color=#cc3300><b> member</b></font> </html> of the respective user group. 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. 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 ==== ==== VSC-3 ====
Line 38: Line 31:
  
   *[[doku:abaqus6|Abaqus 6]]   *[[doku:abaqus6|Abaqus 6]]
-  *[[doku:antares-vsc2|ANTARES]]+  *[[doku:AMBER]] 
 +  *[[doku:antares|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)]]
Line 44: Line 38:
   *[[doku:desmond|desmond]]   *[[doku:desmond|desmond]]
   *[[doku:flash| FLASH]]   *[[doku:flash| FLASH]]
-  * [[fft]] libraries+  *[[fft|fft libraries]]
   * [[http://www.fftw.org/|FFTW]]   * [[http://www.fftw.org/|FFTW]]
   * [[http://www.gaussian.com/|Gaussian]]   * [[http://www.gaussian.com/|Gaussian]]
   *[[doku:gaussian09|Gaussian09]]   *[[doku:gaussian09|Gaussian09]]
   * [[http://www.gnuplot.info|gnuplot]]   * [[http://www.gnuplot.info|gnuplot]]
 +  * [[doku:gromacs|GROMACS]]
   * [[http://www.wolfram.com/mathematica/|Mathematica]]   * [[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]]   * [[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|MPI-Helium]]
   *[[doku:nag|NAG]]   *[[doku:nag|NAG]]
 +  *[[nwchem-vsc2|NWChem]]
   * [[http://www.paraview.org/|Paraview]]   * [[http://www.paraview.org/|Paraview]]
   *[[doku:rstat|R]]   *[[doku:rstat|R]]
Line 63: Line 59:
   * [[http://www.cs.uoregon.edu/Research/tau/home.php|Tau]]   * [[http://www.cs.uoregon.edu/Research/tau/home.php|Tau]]
   *[[doku:telemac|Telemac]]   *[[doku:telemac|Telemac]]
-  * [[doku:vasp-vsc2|VASP]] +  * [[doku:vasp|VASP]] 
-  * [[wien2k-vsc2|WIEN2k]] +  * [[wien2k|WIEN2k]] 
-  * [[wrf-vsc2|WRFV3]] +  * [[wrf|WRFV3]]
- +
-=== Remarks === +
- +
-  * [[doku:glx|bug in GLX]] +
- +
- +
-==== Recommendations ====+
  
-  * [[sequential-codes|Single core jobs]] 
-  * [[large]] jobs with more than 1024 cores 
-  * [[memory]] intensive jobs requiring more than 2 GB per core 
-  * [[nwchem-vsc2|NWChem]] 
-  * user defined [[prolog|prolog and epilog]] scripts 
  • doku/software.txt
  • Last modified: 2022/06/23 13:38
  • by msiegel