[gmx-users] cpu utilization

David spoel at xray.bmc.uu.se
Fri Oct 17 21:36:02 CEST 2003


On Fri, 2003-10-17 at 21:23, Dean Johnson wrote:
> > MPICH problems? Most gromacs users are using LAM. Once more, since TCP
> > communication in Linux is slow compared to Shared mem, you want to run
> > 8x2 cpus rather than 16x1.
> >
> 
> Our experience with Amber is that 16x1 is considerably faster than 8x2, 
> which leads me to believe that its pummel the memory a little too much. 
> Whats odd is that you can run 2x16x1 decidedly faster than 1x16x2. I am 
> speculating that it gets into some self-regulating behavior and the two 
> runs stay out of each others way. Thats just a silly guess on my part.
> 
Well, seeing is believing, so please try it all, maybe even LAM...


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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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