[gmx-users] 4 x Opteron 12-core or 4 x Xeon 8-core ?
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. Thanks. Best Regards, David -- 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] 4 x Opteron 12-core or 4 x Xeon 8-core ?
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 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 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 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] 4 x Opteron 12-core or 4 x Xeon 8-core ?
Dear Carsten, Thanks for the advice! The thing is that considering the price differences, we could buy 2-3 AMD machines (48 core) for each 1 Intel machine (32) core. I'm only curious about how much faster Intel will be. Side to side, amd 48core vs intel 32core, would make us talk about 2x differences in ns/day? Thanks again. Regards, David Message: 1 Date: Thu, 20 Jan 2011 13:45:54 +0100 From: Carsten Kutzner ckut...@gwdg.de Subject: Re: [gmx-users] 4 x Opteron 12-core or 4 x Xeon 8-core ? To: Discussion list for GROMACS users gmx-users@gromacs.org Message-ID: dba5ecbb-d1f3-4559-a849-fb8cf16c9...@gwdg.de Content-Type: text/plain; charset=us-ascii 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 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 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 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] 4 x Opteron 12-core or 4 x Xeon 8-core ?
Hi, For systems or your size, they should run about equally fast. Berk From: davidmcgiv...@gmail.com To: gmx-users@gromacs.org Subject: Re: [gmx-users] 4 x Opteron 12-core or 4 x Xeon 8-core ? Date: Thu, 20 Jan 2011 14:39:14 +0100 Dear Carsten, Thanks for the advice! The thing is that considering the price differences, we could buy 2-3 AMD machines (48 core) for each 1 Intel machine (32) core. I'm only curious about how much faster Intel will be. Side to side, amd 48core vs intel 32core, would make us talk about 2x differences in ns/day? Thanks again. Regards, David Message: 1 Date: Thu, 20 Jan 2011 13:45:54 +0100 From: Carsten Kutzner ckut...@gwdg.de Subject: Re: [gmx-users] 4 x Opteron 12-core or 4 x Xeon 8-core ? To: Discussion list for GROMACS users gmx-users@gromacs.org Message-ID: dba5ecbb-d1f3-4559-a849-fb8cf16c9...@gwdg.de Content-Type: text/plain; charset=us-ascii 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 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 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 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
