UPDATE:
Actually, the job was setting up, but then stopped with this job error:
0 - MPI_REDUCE_SCATTER : Invalid buffer pointer: Arguments must specify
different buffers (no aliasing)
[0] [] Aborting Program!
done.
Any suggestions?
Thanks!
Dean
__________________________________________________________
Dear amber people,
The place I'm running sander.MPI limits np to 48.
I'm seeing a big performance hit with np 48 compared to np 32.
I don't see this performance hit with pmemd. Is this normal?
I'm doing SGLD, so I'm using sander.MPI
Thanks very much!!!
Dean
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Received on Fri Nov 06 2009 - 12:00:02 PST
