[gmx-developers] MPI slower than Non-MPI gromacs

William Bagdan wbagdan at houston.rr.com
Wed Feb 18 03:26:25 CET 2004



For win32 I have compiled MPICH, FFTW 2.1.5 with MPICH and then Gromacs
3.1.4 with MPI and the FFTW with MPI.  After Testing the MPICH and FFTW with
MPI, I then began testing the GMXDemo using MPI.  The results are not
reassuring.  With MPI the time is longer than just running straight Gromacs
without the MPI.  Anybody have any ideas?  I defined USE_MPI, but am not
sure if I need to set some other defines to get the FFTW.


If anybody is interested I would be willing to give you the setup for
compiling everything and the instructions.



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