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namd [2020/11/20 20:35]
root
namd [2022/03/14 19:10] (current)
root
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 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=''.
 +
 <code> <code>
 module load namd/2.12  [or 2.11] module load namd/2.12  [or 2.11]
namd.txt ยท Last modified: 2022/03/14 19:10 by root