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

David van der Spoel spoel at xray.bmc.uu.se
Mon Sep 24 19:44:08 CEST 2001

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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