Differences

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

--- doku:software [2017/09/08 09:27] – [Documentation] ir
+++ doku:software [2017/09/08 10:28] – [Documentation] ir
@@ Line 39: / Line 39: @@
   *[[doku:abaqus6|Abaqus 6]]
   *[[doku:antares-vsc2|ANTARES]]
-  *[[doku:blas|BLAS libraries]]
+  *[[doku:blas|Linking to BLAS libraries]]
   *[[doku:cmtk|Computational Morphometry Toolkit (CMTK)]]
   *[[doku:cp2k|cp2k-2.4.0]]
   *[[doku:desmond|desmond]]
   *[[doku:flash| FLASH]]
+  *[[fft|fft libraries]]
   * [[http://www.fftw.org/|FFTW]]
   * [[http://www.gaussian.com/|Gaussian]]
@@ Line 49: / Line 50: @@
   * [[http://www.gnuplot.info|gnuplot]]
   * [[http://www.wolfram.com/mathematica/|Mathematica]]
-  *[[doku:mathematica|Mathematica jobs]]
+  *[[doku:mathematica|Mathematica jobs on VSC]]
   * [[http://www.mathworks.de/products/matlab/|Matlab]]
-  *[[doku:matlab|Matlab jobs]]
+  *[[doku:matlab|Matlab jobs on VSC]]
+  * [[mpi-helium-vsc2|MPI-Helium]]
   *[[doku:nag|NAG]]
+  *[[nwchem-vsc2|NWChem]]
   * [[http://www.paraview.org/|Paraview]]
   *[[doku:rstat|R]]
-  *[[doku:scalapack|ScaLAPACK]]
+  *[[doku:scalapack|ScaLAPACK compile options]]
   * [[http://www.scalasca.org/|scalasca]]
   *[[doku:simple|Single-particle IMage Processing Linux Engine]]
@@ Line 61: / Line 64: @@
   * [[http://www.cs.uoregon.edu/Research/tau/home.php|Tau]]
   *[[doku:telemac|Telemac]]
-  * [[doku:vasp-vsc2|VASP on VSC-2]]
+  * [[doku:vasp-vsc2|VASP]]
+  * [[wien2k-vsc2|WIEN2k]]
+  * [[wrf-vsc2|WRFV3]]
+=== Remarks ===
+  * [[doku:glx|bug in GLX]]
+=== Recommendations ===
+  * [[sequential-codes|Single core jobs]]
+  * [[large|large jobs with more than 1024 cores]]
+  * [[doku:memory_intensive|memory intensive jobs requiring more than 2 GB per core]]
+  * user defined [[prolog|prolog and epilog]] scripts