On Oct 9, 2008, at 8:06 AM, Sangamesh B wrote:

I've tested GROMACS for a single process (mpirun -np 1):
Here are the results:

OpenMPI : 120m 6s
MPICH2 :  67m 44s


That seems to indicate that something else is going on -- with -np 1, there should be no MPI communication, right? I wonder if the memory allocator performance is coming into play here.

Try re-configuring/re-building Open MPI with --without-memory-manager.

--
Jeff Squyres
Cisco Systems

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