Re: [AMBER] sander.MPI

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 18 Dec 2012 06:53:18 -0500

On Dec 18, 2012, at 4:20 AM, Fabian Glaser <fglaser.technion.ac.il> wrote:

> Hi Jason,
>
> The system people asked me to ask you about the error produced when using more than one node. Here is the error:
>
> HYDU_create_process (./utils/launch/launch.c:94): execvp error on file 3SO6_clean_prod_3.rst (No such file or directory)
>
> So that is one of the nodes does not find the output file?

Yes, that means that the master process (so the first line of $PBS_NODEFILE) is executing on a node that does not have access to that file. Check that it exists (make sure you cd to the correct directory in your submission script. A common first command in such a script is "cd $PBS_O_WORKDIR". This will move to the directory you submitted the job from.)

HTH,
Jason

--
Jason M. Swails
Quantum Theory Project
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Dec 18 2012 - 04:00:03 PST
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