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doku:software [2017/09/08 09:45]
ir [Recommendations for various codes]
doku:software [2022/06/23 13:38] (current)
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 33: Line 26:
  
 ==== Documentation ==== ==== Documentation ====
 +
 Documentation of the following software is available (list incomplete): 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|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]]
   * [[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]]
   * [[http://www.gnuplot.info|gnuplot]]   * [[http://www.gnuplot.info|gnuplot]]
 +  * [[doku: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]] 
-  *[[doku:nag|NAG]]+  * [[MPI-Helium]] 
 +  * [[doku:NAG]] 
 +  * [[nwchem-vsc2|NWChem]]
   * [[http://www.paraview.org/|Paraview]]   * [[http://www.paraview.org/|Paraview]]
-  *[[doku:rstat|R]] +  * [[doku:rstat|R]] 
-  *[[doku:scalapack|ScaLAPACK]]+  * [[doku:scalapack|ScaLAPACK compile options]]
   * [[http://www.scalasca.org/|scalasca]]   * [[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]]   * [[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|WRFV3]]
-====== Recommendations ======  +
- +
-=== Remarks === +
- +
-  * [[doku:glx|bug in GLX]] +
- +
-  * [[mpi-helium-vsc2|MPI-Helium]] +
-  * [[wrf-vsc2|WRFV3]] +
-  * [[sequential-codes|Sequential codes]] +
- +
-==== Recommendations for advanced users ==== +
- +
-  * [[fft]] libraries +
-  * [[large]] jobs with more than 1024 cores +
-  * [[memory]] intensive jobs requiring more than 2 GB per core +
-  * [[ScaLAPACK]] compile options +
-  * [[nwchem-vsc2|NWChem]] +
-  * [[blas|Linking to BLAS Libraries]] +
-  * user defined [[prolog|prolog and epilog]] scripts+
  
  • doku/software.1504863957.txt.gz
  • Last modified: 2017/09/08 09:45
  • by ir