[gmx-users] computation time
David van der Spoel
spoel at xray.bmc.uu.se
Wed Jun 25 17:09:00 CEST 2003
On Wed, 2003-06-25 at 17:03, Nagy, Peter I. wrote:
> Dear Gromacs Users!
> I am a novice in these calculations, and we are going to set up a
> computer system for MD calculations.
> My typical systems consist of about 40,000 atoms including SPC
> atoms. If I want to perform a regular MD calculation for 1-2 ns and
> perhaps fixing the bond lengths, how much real time should I expect
> completing the calculation either on
> 1. Dual Pentium 4 Xeon, 2.4 GHz, 2G RAM
> 2. Dual Mac G5, 2.0 GHz, 2G RAM
These machines will perform similar, Erik L. suggested the mac would be
up to 20% faster than a dual xeon @3 GHz, so that would mean it'd be 50
% faster than this Xeon. Howver you can't get these macs yet, so we'll
see in august.
> Thanks for your help.
> Peter Nagy
> Dept. Med. Biol. Chem.
> The University of Toledo
> Toledo OH, 43606 USA
> pnagy at utnet.utoledo.edu
Dr. David van der Spoel, Dept. of Cell & Mol. Biology
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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