Re: [AMBER] How to know whether the sander is running parallel

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 5 Aug 2011 14:50:29 -0400

Even if sander.MPI was running on one node it would still say "node" somewhere in your output file. Are you sure this word is not in your output file?

--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
On Aug 5, 2011, at 1:03 PM, Aimin <aimin.guo.csun.edu> wrote:
> 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 - 12:00:02 PDT