Hi David,
It still does not work. I have used sander.MPI, but I can not find pmemd.MPI. I can not find out the reason why the sander can not be running parallel.
Aimin
________________________________________
From: David A Case [case.biomaps.rutgers.edu]
Sent: Friday, August 05, 2011 9:49 AM
To: AMBER Mailing List
Subject: Re: [AMBER] How to know whether the sander is running parallel
On Fri, Aug 05, 2011, Aimin wrote:
>
> I cannot find the word "nodes" in the mdout file.
This means you are not running in parallel. Be sure you are calling
sander.MPI or pmemd.MPI, with an appropriate mpirun command. Do the parallel
test cases work?
...dac
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Received on Fri Aug 05 2011 - 10:30:02 PDT
