[gmx-users] 4 x Opteron 12-core or 4 x Xeon 8-core ?

Carsten Kutzner ckutzne at gwdg.de
Thu Jan 20 13:45:54 CET 2011

Hi David,

On Jan 20, 2011, at 1:21 PM, David McGiven wrote:

> Dear Gromacs Users,
> We're going to buy a new server for HPC. It is going to run mainly Gromacs calculations.
> Regarding Gromacs performance, I'm wondering which one, you Gromacs users and developers, think will be faster.
> AMD Server :   4 x AMD Opteron 6176 12-core 2.3 Ghz + 96GB Memory (2GB / core)
> Intel Server : 4 x Intel Xeon 8-core 2.66 Ghz + 64 GB RAM (2GB / core)
> We normally run ~100k atom systems with PME and explicit water.
> Which one would you recommend ?
> Also, of course, AMD Server is cheaper. But we are mainly interested on performance.

If you have a fixed amount of money, you will get the most ns/day 
if you buy the AMD Magny Cours machines. Each one will be slower compared to the
Intel server but you will get more servers altogether, thus more total
performance. If you can only buy a single server and you do not care about
what it costs, the Intel will be faster for shure.
Note that you do not need 2 GB/core for 100k atoms MD systems if you run
Gromacs. Half of it will be more than enough.


> Thanks.
> Best Regards,
> David
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Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302

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