Hi Shubhra,
>From your mdout file:
| Running AMBER/MPI version on 20 nodes
| WARNING: The number of processors is not a power of 2
| this may be inefficient on some systems.
Try running a shorter version of the job with fewer processors (start
at 2 or 4 and increase accordingly) and see if that fixes the issue.
It's highly likely there are parts of the parallel code that aren't
tested for a number of processors that are not a power of 2.
-Dan
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Received on Tue Jul 27 2010 - 22:30:05 PDT
