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cluster:73 [DokuWiki]

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cluster:73 [2020/07/13 10:49]
hmeij07 [LAMMPS CPU/GPU]
cluster:73 [2020/07/13 14:58]
hmeij07 [Mathematica]
Line 943: Line 943:
  
 ====== Gromacs ===== ====== Gromacs =====
 +
 +Gromacs-2018 for GPU (RTX2080)
 +  * ''exx96'' queue
 +  * **/zfshomes/hmeij/k20redo/run.rtx sample script**
  
  
Line 1050: Line 1054:
 [[https://dokuwiki.wesleyan.edu/doku.php?id=cluster:119|GPU version]] [[https://dokuwiki.wesleyan.edu/doku.php?id=cluster:119|GPU version]]
  
-  * program: mcc, math, mathematica (v 11.0.1) +  * program: mcc, math, mathematica (v 12.1) 
-  * install dir: /share/apps/CENTOS6/mathematica/11.0.1+  * install dir: /share/apps/CENTOS6/mathematica/12.1
   * docs: on the web   * docs: on the web
   * www:  http://www.wolfram.com/mathematica/   * www:  http://www.wolfram.com/mathematica/
 +  * Campus wide license, use any queue.
  
   * Parallel kernels   * Parallel kernels
Line 1060: Line 1065:
     * http://reference.wolfram.com/mathematica/guide/ParallelComputing.html     * http://reference.wolfram.com/mathematica/guide/ParallelComputing.html
  
-Job submissions should go to queue //mathematica// which containes licensed nodes (all the hp12 nodes for now).+
  
 ====== Eigen ===== ====== Eigen =====
cluster/73.txt · Last modified: 2024/05/15 08:58 by hmeij07