[gmx-users] Adding or modifying mpi-related files for better peformance

Taeho Kim taeho.kim at utoronto.ca
Thu Mar 13 16:17:24 CET 2003


hi, 
I'd like to add and modify some files, even might use a commercial mpi software, to improve the scaling performance for Gromacs system since our current Mac cluster hasn't provided better performance at all. There is an interesting site, http://exodus.physics.ucla.edu/appleseed/dev/developer.html, for Mac.

How can I compile a new type of mpi software, not LAM-mpi nor mpich, for Gromacs without too much problems ? 
Thanks,

Taeho



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