Hi David, On Jan 20, 2011, at 1:21 PM, David McGiven wrote:
> Dear Gromacs Users, > > We're going to buy a new server for HPC. It is going to run mainly Gromacs > calculations. > > Regarding Gromacs performance, I'm wondering which one, you Gromacs users and > developers, think will be faster. > > AMD Server : 4 x AMD Opteron 6176 12-core 2.3 Ghz + 96GB Memory (2GB / core) > Intel Server : 4 x Intel Xeon 8-core 2.66 Ghz + 64 GB RAM (2GB / core) > > We normally run ~100k atom systems with PME and explicit water. > > Which one would you recommend ? > > Also, of course, AMD Server is cheaper. But we are mainly interested on > performance. If you have a fixed amount of money, you will get the most ns/day if you buy the AMD Magny Cours machines. Each one will be slower compared to the Intel server but you will get more servers altogether, thus more total performance. If you can only buy a single server and you do not care about what it costs, the Intel will be faster for shure. Note that you do not need 2 GB/core for 100k atoms MD systems if you run Gromacs. Half of it will be more than enough. Carsten > Thanks. > > Best Regards, > David > > > -- > 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 thewww 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/home/grubmueller/ihp/ckutzne -- 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
