I will be running on a single node with 20 cpus and 1 gpu installed.
Do I have to use pmemd.cuda.MPI for this, or is pmemd.cuda enough..?
How do I specify the number of cpus used with pmemd.cuda? I can't seem to
find this information in the manual.
Regards,
Murat
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Received on Wed May 14 2014 - 08:00:04 PDT
