On Mon, Feb 4, 2013 at 5:18 PM, Cintia C. Vequi-Suplicy <cin...@if.usp.br>wrote:
> > > > Hello David, > > I think it is the pressure. > I would think the mentions of pressure are just one of the symptoms. See http://www.gromacs.org/Documentation/Terminology/Blowing_Up. You seem to have somewhat more than 100K atoms, which is a bit over 200 atoms/processor for 512 processors. That's down the low end of GROMACS scaling limits. I asked you earlier to try running with the same number of processors on the BlueGene as you do locally, and to report the command lines you were using for the whole transfer and restart process. This will allow us to see if the problem is in how DD is treating your system, or how you are managing the transfer between hardware. Until then, nobody can tell anything. Mark -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
