On Mon, Dec 24, 2012, Amparo Garcia Lopez wrote:
>
> I've been experiencing problems while trying to run pmemd.MPI in
> different nodes. We have installed openmpi (version 1.6.3) and amber
> (version 12).
>
>
> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
> with errorcode 1.
Look at your output file. The message above just means that the master
process quit with some error. The problem probably has nothing to do with
MPI. Since your test cases passed, it is also probably not a problem with
compilation.
A quick test (which you may have already done?) is to run a short version of
the same job with just pmemd (in serial mode). By "short version", I mean set
nstlim to some small number like 100.
...good luck...dac
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Received on Mon Dec 24 2012 - 07:00:02 PST
