Re: [gmx-users] Improve performance
These are almost irrelevant for performance. What are you actually simulating on what? Mark On Apr 7, 2013 2:12 AM, 陈照云 chenzhaoyu...@gmail.com wrote: Hi! I have 6 nodes. Each node has two CPUs,12 cores totally. How should I set the options like -rdd,-rcon,-dds,-gcom to improve the performance? Thanks! -- gmx-users mailing listgmx-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 -- gmx-users mailing listgmx-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
[gmx-users] Improve performance
Hi! I have 6 nodes. Each node has two CPUs,12 cores totally. How should I set the options like -rdd,-rcon,-dds,-gcom to improve the performance? Thanks! -- gmx-users mailing listgmx-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
Re: [gmx-users] Improve performance
On Sat, Apr 6, 2013 at 9:11 PM, 陈照云 chenzhaoyu...@gmail.com wrote: Hi! I have 6 nodes. Each node has two CPUs,12 cores totally. How should I set the options like -rdd,-rcon,-dds,-gcom to improve the performance? Those options will have a significantly smaller impact on performance than other factors like .mdp settings (algorithms used) and system size (number of atoms). -Justin -- Justin A. Lemkul, Ph.D. Research Scientist Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin -- gmx-users mailing listgmx-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
