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cluster:215 [2025/01/16 13:10]
hmeij07 [Magma]
cluster:215 [2025/02/06 15:11] (current)
hmeij07 [AutoDock-GPU]
Line 13: Line 13:
 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 =====
Line 58: Line 63:
  
 ===== 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/215.1737033044.txt.gz ยท Last modified: 2025/01/16 13:10 by hmeij07