[gmx-users] How to buy a new cluster?

Ran Friedman ran at hemi.tau.ac.il
Thu Dec 2 20:55:36 CET 2004

David van der Spoel wrote:

>On Thu, 2004-12-02 at 13:05 -0500, Ran Friedman wrote:
>>Relating to the same topic - are 64bit processors really superior when
>>running GMX, especially considering their higher price and slower
>>clock speed relative to the conventional 32bit processors?
>check the benchmarks
>the athlon64/opteron chips are 50% faster per clock as the Xeons. 
I've run a few tests, including the benchmark, and the opterons were a 
little bit slower.
Following your input (and some discussions on the mailing list), I 
suspect that this was due to the compilation of gmx, fft or both - I've 
compiled gmx using gcc.

Can any of the GMX users/developers comment on it?

>Especially to answer this question I have updated the table above with a
>column "rate" giving a processor speed per clock cycle.

Ran Friedman
Laser Laboratory for Fast Reactions in Biology
Department of Biochemistry
Faculty of Life Sciences
Tel-Aviv University
Tel. +972-3-6409824
Fax. +972-3-6409875

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