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cluster:215 [2025/01/15 20:48]
hmeij07 [Magma] 		cluster:215 [2025/02/06 15:11] (current)
hmeij07 [AutoDock-GPU]
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 https://dokuwiki.wesleyan.edu/doku.php?id=cluster:214#slurm_jobs https://dokuwiki.wesleyan.edu/doku.php?id=cluster:214#slurm_jobs
  
 +
 +===== ChimeraX =====
 +
 +  * https://www.rbvi.ucsf.edu/chimerax/
 +  * installed on sharptail2
  
 ===== Magma ===== ===== Magma =====
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 export MAGMAPASSFILE=/share/apps/CENTOS8/magma/2.28-16/avx2/magmapassfile export MAGMAPASSFILE=/share/apps/CENTOS8/magma/2.28-16/avx2/magmapassfile
 +export MAGMA_SYSTEM_SPEC=/share/apps/CENTOS8/magma/2.28-16/avx2/package/spec
  
 [root@n103 ~]# magma [root@n103 ~]# magma
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 ===== AutoDock-GPU ===== ===== AutoDock-GPU =====
 +
 +  * cuda-12.6 only added
 +  * mwgpu256 queue
 +  * gcc 9 needed for openmp
 +  * module load autodock/20241101-cuda12.6
 +  * /share/apps/CENTOS8/ohpc/software/AutoDock-GPU/cuda-12.6/bin/
  
   * https://github.com/ccsb-scripps/AutoDock-GPU/wiki/Guideline-for-users   * https://github.com/ccsb-scripps/AutoDock-GPU/wiki/Guideline-for-users
cluster/215.1736974080.txt.gz ยท Last modified: 2025/01/15 20:48 by hmeij07

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