Re: [gmx-users] some hardware questions

2012-05-07 Thread Szilárd Páll
On Wed, May 2, 2012 at 11:51 AM, melichercik melicher...@nh.cas.cz wrote: Hi people, we plan to buy some computer mostly for gromacs, so I want to ask you for some hints. I'd tried to do some research, but no success. :( Have someone ever compared AMD Bulldozer and Sandy/Ivy Bridge

Re: [gmx-users] some hardware questions

2012-05-07 Thread Szilárd Páll
On Wed, May 2, 2012 at 12:17 PM, Thomas Evangelidis teva...@gmail.comwrote: For CPU performance comparison look at: www.spec.org/cpu2006/results for each CPU look at the statistics for floating point operations, namely for SPECfp_base2006 score for the programs of interest (GAMESS, GROMACS,

Re: [gmx-users] some hardware questions

2012-05-07 Thread Szilárd Páll
On Wed, May 2, 2012 at 5:44 PM, Peter C. Lai p...@uab.edu wrote: When considering compute hardware today, you're gonna have to shop like a gamer. A rig that can get high Battlefield 3 or Arma 2/3 framerates should also be able to get you some nice ns/day. (To a great extent) wong! While many

Re: [gmx-users] some hardware questions

2012-05-07 Thread Szilárd Páll
On Wed, May 2, 2012 at 6:13 PM, Mirco Wahab mirco.wa...@chemie.tu-freiberg.de wrote: Hello Peter, Am 02.05.2012 17:44, schrieb Peter C. Lai: You can wait for ivy bridge, then stick some Kepler GPUs (nvidia gtx 680) in it. That should max the performance. asm is pretty much stagnant for

Re: [gmx-users] some hardware questions

2012-05-07 Thread Szilárd Páll
On Fri, May 4, 2012 at 8:58 PM, Oliver Stueker ostue...@gmail.com wrote: Hi all, This week Nvidia has also announced the GeForce GTX 690 with two Kepler Chips [1]. That will make a total of 3072 CUDA cores @ 915MHz to 1019MHz and will perform like two GTX 680s in SLI mode [2], but more

Re: [gmx-users] some hardware questions

2012-05-04 Thread Oliver Stueker
Hi all, This week Nvidia has also announced the GeForce GTX 690 with two Kepler Chips [1]. That will make a total of 3072 CUDA cores @ 915MHz to 1019MHz and will perform like two GTX 680s in SLI mode [2], but more energy efficient. I'd really be interested if parallelization would be a

Re: [gmx-users] some hardware questions

2012-05-02 Thread Thomas Evangelidis
For CPU performance comparison look at: www.spec.org/cpu2006/results for each CPU look at the statistics for floating point operations, namely for SPECfp_base2006 score for the programs of interest (GAMESS, GROMACS, NAMD, etc.). For graphics cards you can look at the same site for GPU

Re: [gmx-users] some hardware questions

2012-05-02 Thread Peter C. Lai
When considering compute hardware today, you're gonna have to shop like a gamer. A rig that can get high Battlefield 3 or Arma 2/3 framerates should also be able to get you some nice ns/day. I think most people consider Bulldozer mostly a flop. AMD masks lower cycle speeds with more cores per

Re: [gmx-users] some hardware questions

2012-05-02 Thread Mirco Wahab
Hello Peter, Am 02.05.2012 17:44, schrieb Peter C. Lai: You can wait for ivy bridge, then stick some Kepler GPUs (nvidia gtx 680) in it. That should max the performance. asm is pretty much stagnant for general purpose procs since core2 came out. Is this true? To my knowledge, the Fermi GPU

Re: [gmx-users] some hardware questions

2012-05-02 Thread Peter C. Lai
On 2012-05-02 06:13:04PM +0200, Mirco Wahab wrote: Hello Peter, Am 02.05.2012 17:44, schrieb Peter C. Lai: You can wait for ivy bridge, then stick some Kepler GPUs (nvidia gtx 680) in it. That should max the performance. asm is pretty much stagnant for general purpose procs since core2