Differences

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

Link to this comparison view

Both sides previous revision Previous revision
Next revision
Previous revision
Next revisionBoth sides next revision
doku:software [2017/09/08 09:47] irdoku:software [2020/04/23 08:36] – [VSC-2] ir
Line 6: Line 6:
 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 39: Line 32:
   *[[doku:abaqus6|Abaqus 6]]   *[[doku:abaqus6|Abaqus 6]]
   *[[doku:antares-vsc2|ANTARES]]   *[[doku:antares-vsc2|ANTARES]]
-  *[[doku:blas|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|desmond]]   *[[doku:desmond|desmond]]
   *[[doku:flash| 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]]
Line 54: Line 48:
   * [[mpi-helium-vsc2|MPI-Helium]]   * [[mpi-helium-vsc2|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]]
-  *[[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]]
Line 65: Line 60:
   * [[wien2k-vsc2|WIEN2k]]   * [[wien2k-vsc2|WIEN2k]]
   * [[wrf-vsc2|WRFV3]]   * [[wrf-vsc2|WRFV3]]
- 
-=== Remarks === 
- 
-  * [[doku:glx|bug in GLX]] 
- 
-  * [[sequential-codes|Single core jobs]] 
- 
-==== 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.txt
  • Last modified: 2023/12/27 10:19
  • by amelic