[gmx-users] computation time

[David van der Spoel]

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
> water
>   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
> for
>   completing the calculation either on
> 
>     1. Dual Pentium 4 Xeon, 2.4 GHz, 2G RAM
> 
>   or
> 
>     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 
-- 
Groeten, David.
________________________________________________________________________
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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