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cluster:215 [2025/01/16 21:34]
hmeij07 [Magma]
cluster:215 [2025/02/06 15:11] (current)
hmeij07 [AutoDock-GPU]
Line 63: 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.txt ยท Last modified: 2025/02/06 15:11 by hmeij07