[gmx-users] best price/performance for GMX?

[David van der Spoel]

On Mon, 24 Sep 2001, Alan Wilter Sousa da Silva wrote:

>Hi All!
>
>That's a good question.  I'm using a 100 Mb/s ethernet with Lam too and
>dind't find gromacs performace in parallel so spectacular.  Does it depend
>on network speed? My molecular system?
PME scaling is bad, cut-off scaling is decent. Maybe other packages scale
better, but that is mainly because they are so slow on  a single node...

>As soon as I install gromacs in SGI Origin 4 proc. I'll take new
>tests.  For the moment we are running simulations on GNU/linux cluster. 
Scaling will be better there. Please report back to the list.


Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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