Hi, On Nov 1, 2012, at 4:13 PM, Venkat Reddy <venkat...@gmail.com> wrote:
> Dear all Gromacs users, > > I have *two *questions: > > 1) I have been doing my simulation on a computer having 24 > processors. I issued *g_tune_pme -s *.tpr ........ -launch *command to > directly launch my *mdrun *with the optimized settings. At the end of > optimization, g_tune_pme has given -npme as *'0'*. My doubt is, how could > it be possible to get best performance without dedicated PME nodes? This is normal, it just means that 24 PME nodes are optimal and thus no *separate* PME nodes are needed. Carsten > 2) What could be the optimum value for *-rcom *to get the best performance > on a super cluster (*i.e., 256 nodes*)? > > Thanks in advance > > > With Best Wishes > Venkat Reddy Chirasani > PhD student > Laboratory of Computational Biophysics > Department of Biotechnology > IIT Madras > Chennai > INDIA-600036 > -- > 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 -- Dr. Carsten Kutzner Max Planck Institute for Biophysical Chemistry Theoretical and Computational Biophysics Am Fassberg 11, 37077 Goettingen, Germany Tel. +49-551-2012313, Fax: +49-551-2012302 http://www.mpibpc.mpg.de/grubmueller/kutzner -- 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