[gmx-users] Scaling in parallel

Y U Sasidhar sasidhar at chem.iitb.ac.in
Thu Sep 23 05:22:39 CEST 2004

Amadeu Sum wrote:
> I will be using Gromacs in parallel and I wanted to get a feel from
> the users what has been their experience with scaling over a large
> number of processors. Looking at the benchmark results, it seems that
> the performance starts to level out around 30 processors. Has anyone
> been able to run Gromacs over hundreds (200-300) of processors?
It is important to consider scaling with PME since most of the time  we 
have to use PME for better electrostatic treatment. My impression is 
that with PME scaling is not very good though the situation may have 
changed now.

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