software:namd:mills

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software:namd:mills [2018-11-15 20:05] – anitasoftware:namd:mills [2021-04-27 16:21] (current) – external edit 127.0.0.1
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 +====== NAMD on Mills ======
  
 +===== Batch job =====
 +
 +Templates for Grid Engine queue submission scripts are available for serial or parallel batch NAMD jobs on ''Mills'' in ''/opt/shared/templates/gridengine/namd''.  Copy and edit the template based on your job by following the usage described in the ''named-serial.qs'' or ''named-parallel.qs'', respectively.
 +
 +<note tip>It is always a good idea to periodically check if the templates ''/opt/shared/templates/gridengine/namd'' have changed especially as we learn more about what works best on a particular cluster.</note>