[gmx-users] Gromacs-4 benchmarking
mark.abraham at anu.edu.au
Tue Aug 10 11:06:09 CEST 2010
----- Original Message -----
From: vivek sharma <viveksharma.iitb at gmail.com>
Date: Tuesday, August 10, 2010 16:41
Subject: [gmx-users] Gromacs-4 benchmarking
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Hi There,
> I want to benchmark the scalability and speed for gromacs-4 on our cluster.
> I want to know if there is any benchmarking activity already goin on? I have browsed and got benchmarking for gromacs-3 and it seems that gromacs-4 is much more scalable and faster than gromacs-3.
> Can somebody suggest me with the standard dataset that can be used for benchmarking?
The old benchmark suite is long out of date. Unless you're planning hardware purchases, the usual thing of actual interest is how fast your actual simulation systems of interest run on your actual hardware, and you are best placed to gather that data. :-) An external benchmark might be nice, but chances are there's so much difference between what it tested and what you need, that any conclusions would need a big grain of salt, and you'd still have to go and test for yourself...
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