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cluster:73 [DokuWiki]

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cluster:73 [2020/06/29 13:15]
hmeij07 [Python3]
cluster:73 [2020/07/13 14:57]
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/
Line 1060: Line 1064:
     * 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).+Job submissions can go to queue.
  
 ====== Eigen ===== ====== Eigen =====
Line 1262: Line 1266:
     * /share/apps/CENTOS7/lammps/03Mar2020.install     * /share/apps/CENTOS7/lammps/03Mar2020.install
     * CUDA_ARCH = sm_75 (probably only works on queue exx96)     * CUDA_ARCH = sm_75 (probably only works on queue exx96)
-  * sample script in ~hmeij/k20redo/run.rtx.lammps+  * **sample script in ~hmeij/k20redo/run.rtx.lammps**
  
 <code> <code>
cluster/73.txt · Last modified: 2024/05/15 08:58 by hmeij07