AMBER Archive (2007)

Subject: AMBER: pmend vs sander.MPI

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Thu Dec 06 2007 - 09:13:39 CST

Is pmend likely to improve performance with respect to sander.MPI for a small
number of processors on dualopteron amd64 Linux/OpenMPI/intel compilers? If
yes, which is the minimum number of processors to try if pmend defeats
sander.MPI in speed for a long MD (production)?

Thanks
francesco pietra
Very likely the answer was already on the web, though I was unable to find it.
I'll try to compile pmend according to the response.

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