That must be a rather large system to take that long, but it's not
unreasonable I'd say. Which program did you use--sander, or pmemd? With
either, you can check the output and near the top of the mdout (you call
the program with -o followed by some file name, mdout by default) you
should find a line like "| Running AMBER/MPI version on 4 nodes." During
the run you can also run "top" on your machine to see the CPU usage.
Dave
On Mon, Apr 4, 2016 at 2:04 AM, Sreemol G <sreemolinfo.gmail.com> wrote:
> Hi all,
>
> Can anyone tell me the command to check whether amber simulation
> is running in parallely in all core (N=4). For running 500ps simulation it
> took almost 19 hrs of wall clock time. Since, I want to check whether its
> running in serial or parallel.
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>
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Received on Sun Apr 03 2016 - 23:30:04 PDT
