[gmx-users] gromacs-mpi bandwidth requirements

Jack Howarth howarth at bromo.msbb.uc.edu
Wed Aug 11 23:22:22 CEST 2004

    I have several dual processor Xeon boxes available on which
I have installed lam 7.0.6 and gromacs-mpi 3.2.1. These boxes
are currently connected via full-duplex fast ethernet. What is
the bandwidth requirements of gromacs-mpi for typical md 
simulations? Would I see a major improvement in gromacs-mpi
performance if I switched the LAM over onto gigabit ethernet?
Or are the md simulations typically cpu bound rather than
io bound? Thanks in advance for any clarifications.
                     Jack Howarth

More information about the gromacs.org_gmx-users mailing list