Hi, Actualy suppermicro offers 4 socket machines with 12-core amd cpus so you get 48cores in 1U GROMACS perform well on such hardware =)
In case of using Infiniband you need IB switch of dual port ib cards (to connect machines as a 1d torus) 2010/4/28 David van der Spoel <sp...@xray.bmc.uu.se> > On 4/28/10 9:38 AM, Igor Leontyev wrote: > >> Hi, >> there is a question for hardware experts. What is the optimal hardware to >> achieve better scalability in parallel MD simulations of 10K-100K atoms? >> >> Probably, it should be a cluster of multi-cpu, multi-core units with fast >> interconnection. In this case, what is the optimal=performance/price >> configuration for the units? Or in greater details the choice should be: >> 1) Intel or AMD? >> 2) Server cpus (Xeon/Opteron) or Desktop cpus (i7/Phenom)? >> (The problem is that for the cheaper option (Desktop cpus) there is no >> multi-cpu >> motherboards available on a market. May be somebody knows the >> appropriate MB >> model.) >> 3) 4-, 6- or 8-core cpus? See Opteron 6134 which has 8 cores of 2.3 Ghz. >> 4) Is there network solution faster than 1 Gbps for a reasonable price? >> >> Or may be the optimum is some preassembled workstation or cluster >> available on a market for a reasonable price. >> >> Resuming the subject: what is the optimal hardware with a budget ~$10K? >> April 2010 >> >> Try finding a local vendor to sell you Supermicro based machines. $10k > should get you roughly 4 dual quad core Intel or AMD with Infiniband > network, 32 cores altogether in a rack (with some haggling). The machines > with more cores per chip are usually overprized. > > -- > David. > ________________________________________________________________________ > David van der Spoel, PhD, Professor of Biology > Dept. of Cell and Molecular Biology, Uppsala University. > Husargatan 3, Box 596, 75124 Uppsala, Sweden > phone: 46 18 471 4205 fax: 46 18 511 755 > sp...@xray.bmc.uu.se sp...@gromacs.org http://folding.bmc.uu.se > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > > -- > 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/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/mailing_lists/users.php > -- Best Regards, Alexey 'Alexxy' Shvetsov Petersburg Nuclear Physics Institute, Russia Department of Molecular and Radiation Biophysics Gentoo Team Ru Gentoo Linux Dev mailto:alexx...@gmail.com mailto:ale...@gentoo.org mailto:ale...@omrb.pnpi.spb.ru
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