[gmx-users] Data in parallel Gromacs - replicated or distributed?

David van der Spoel spoel at xray.bmc.uu.se
Thu Oct 14 14:00:43 CEST 2004

On Thu, 2004-10-14 at 13:15, Fiona Reid wrote:
> Dear Gromacs Users, 
> Does anyone know whether the parallel version of Gromacs 3.2.1
> users replicated or distributed data with respect to the 
> coordinates and forces? 
It's in chapter 3 of the manual. All cpus have half of the coordinates
and update half of the forces.

We are busy with a big overhaul of the code though. Expect major changes
and improvements in performance  in a few months.
> Many thanks, 
> Fiona Reid
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
David van der Spoel, PhD, Assoc. 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

More information about the gromacs.org_gmx-users mailing list