Re: [AMBER] error on running sander.MPI

From: case <>
Date: Sun, 12 Dec 2010 09:32:29 -0500

On Sun, Dec 12, 2010, George Tzotzos wrote:
> In the previous message mpirun -np was set to 12.
> Setting -np to 4 does not produce the same error. sander.MPI works.

Can you tell us what version of MPI you are using, and which compilers and OS?
Also, what was in the output file? (That is, did the failure occur right

Second, could you try the simulation without the &rst namelist? That facility
doesn't get used with minimization, and is not often used, so there might be a
bug lurking related to that.


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Received on Sun Dec 12 2010 - 07:00:02 PST
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