On Oct 8, 2008, at 9:10 AM, Sangamesh B wrote:

I wanted to switch from mpich2/mvapich2 to OpenMPI, as OpenMPI supports both ethernet and infiniband. Before doing that I tested an application 'GROMACS' to compare the performance of MPICH2 & OpenMPI. Both have been compiled with GNU compilers.

After this benchmark, I came to know that OpenMPI is slower than MPICH2.

This benchmark is run on a AMD dual core, dual opteron processor. Both have compiled with default configurations.

The job is run on 2 nodes - 8 cores.

OpenMPI - 25 m 39 s.
MPICH2  -  15 m 53 s.


A few things:

- What version of Open MPI are you using? Please send the information listed here:

    http://www.open-mpi.org/community/help/

- Did you specify to use mpi_leave_pinned? Use "--mca mpi_leave_pinned 1" on your mpirun command line (I don't know if leave pinned behavior benefits Gromacs or not, but it likely won't hurt)

- Did you enable processor affinity? Use "--mca mpi_paffinity_alone 1" on your mpirun command line.

- Are you sure that Open MPI didn't fall back to ethernet (and not use IB)? Use "--mca btl openib,self" on your mpirun command line.

- Have you tried compiling Open MPI with something other than GCC? Just this week, we've gotten some reports from an OMPI member that they are sometimes seeing *huge* performance differences with OMPI compiled with GCC vs. any other compiler (Intel, PGI, Pathscale). We are working to figure out why; no root cause has been identified yet.

--
Jeff Squyres
Cisco Systems

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