Arkansas High Performace Computing Center [hpcwiki]

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namd [2020/11/20 20:25]
root 		namd [2020/11/20 20:30]
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 === Namd ==== === Namd ====
  
-The namd-verbs-smp binary [[http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD]] version 2.11 or 2.12 is installed in /share/apps/NAMD on [[razor]] and [[trestles]].  It does not use MPI.+The namd-verbs-smp binary [[https://web.archive.org/web/20181127065652/http://www.ks.uiuc.edu/Research/namd/benchmarks/]] version 2.11 or 2.12 is installed in /share/apps/NAMD on [[razor]] and [[trestles]].  It does not use MPI.
  
 This is for multiple-node runs with ''charmrun'' as the distributed component and ''namd2'' on each compute node. We have found most runs are faster with the ''+setcpuaffinity +isomalloc_sync'' options. charmrun ''++ppn'' should match PBS ''ppn=''. This is for multiple-node runs with ''charmrun'' as the distributed component and ''namd2'' on each compute node. We have found most runs are faster with the ''+setcpuaffinity +isomalloc_sync'' options. charmrun ''++ppn'' should match PBS ''ppn=''.
namd.txt ยท Last modified: 2022/03/14 19:10 by root

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