[gmx-users] gromacs-mpi bandwidth requirements

[Anton Feenstra]

Jack Howarth wrote:

>     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.

You would see improvement, but that is more related to the lower
latency of Gb ethernet, and not so much the bandwith. IIRC, there
are 100Mb vs Gb scaling benchmarks on the homepage www.gromacs.org


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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