Date: Sat Apr 12 2008 - 17:32:17 CDT
I am assigned with a job to run 4 replica temperatures on 8 cpus.
However, when I use spawn_namd_command (see below),
each cpu runs 4 copies of namd2, instead of 2 (proc_per_job = 2). Is spawn_namd_command a correct module to use? if so did I have the right arguments in the following command?
Could someone please help to take a look and provide comments? I appreciate it very much.
# spread jobs across machines assigned by queueing system
set spawn_namd_command \
[list spawn_namd_parallel "cd [pwd]; [file join $namd_bin_dir charmrun] [file join $namd_bin_dir namd2] +nodelist pbs_nodefile +p2" \
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