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

Ran Friedman ran at hemi.tau.ac.il
Thu Dec 2 19:05:26 CET 2004

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?

David van der Spoel wrote:

>On Thu, 2004-12-02 at 10:57 +0200, Kay Gottschalk wrote:
>>Hi guys,
>>I got ~15.000 Euro to buy a Cluster for Gromacs. Perhaps I can increase 
>>it to 20.000 E, but that would be a stretch. What do you think would be 
>>the best options? From the benchmark page it looks as if Athlon 64 is 
>>the processor of choice. What other components would you recommend?
>>Thanks for your help!
>It depends on whether or not you want to do many short simulations or a
>few big ones. In the first case single processor nodes will be fine,
>otherwise you want more processors per box. Dual nodes probably offer
>best price/performance, but I just ordered some Quad boxes for exactly
>these very big and/or long simulations. 
>You should also consider what OS you want to run, and get stuff that is
>supported. We are using rocks (www.rocksclusters.org) which does not
>have very good support for e.g. SATA disks.

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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