Thank you, an idea to build own low-price cluster is very interesting. Seven Ryzen 3 2200 with hardware cost ~$2000 and their total performance for some purposes could be higher than performance of one high-performance CPU with few GPUs (configurations CPU+GPUs mentioned in my previous letter) . But I’m not sure that they provide higher performance for GROMACS simulations.
2018-09-09 12:59 GMT+07:00 Benson Muite <benson.mu...@ut.ee>: > This is old, but seems to indicate Beowulf clusters work quite well: > > https://docs.uabgrid.uab.edu/wiki/Gromacs_Benchmark > > Szilárd had helped create a benchmark data set available at: > http://www.gromacs.org/About_Gromacs/Benchmarks > http://www.gromacs.org/@api/deki/files/240/=gromacs-5.0-benchmarks.pdf > ftp://ftp.gromacs.org/pub/benchmarks/gmxbench-3.0.tar.gz > > Does your use case involves a large number of ensemble simulations which > can be done in single precision without error correction? If so might you > be better building a small Beowulf cluster with lower spec processors that > have integrated GPUs? For example a Ryzen 3 with integrated graphics is > about $100. Motherboard, RAM, power supply would probably get you to about > $300. Intel core I3 bundle would be about $350. Setup could be done using > OpenHPC stack: > http://www.openhpc.community/ > > This would get you a personal 5-7 node in house cluster. However, ability > to do maintenance, have local support for repair may also be important in > considering system lifetime cost, not just initial purchase price. Gromacs > current and future support for OpenCl, and likely also important here. > > At least one computer store in my region has allowed benchmarking. > > On 09/07/2018 09:40 PM, Olga Selyutina wrote: > >> Hi, >> A lot of thanks for valuable information. >> If it isn’t difficult for you, could you answer how the growth of >> performance under using the second GPU on the single simulation was >> changed >> in GROMACS 2018 vs older versions (2016, 5.1, it was 20-30% higher)? >> >> >> 2018-09-07 23:25 GMT+07:00 Szilárd Páll <pall.szil...@gmail.com>: >> >> Are you intending to use it mostly/only for running simulations or also as >>> a desktop computer? >>> >>> Yes, it will be mostly used for simulations. >>> >> >> I'm not on the top of pricing details so you should probably look at some >>> configs and get back with concrete CPU + GPU (+price) combinations and we >>> might be able to guesstimate what's best. >>> >>> >>> These sets of CPU and GPU are suitable for price (in our region): >> *GPU* >> GTX 1070 ~1700MHz, cuda 1920 - $514 >> GTX 1080 ~1700MHz, cuda 2560 - $615 >> GTX 1070Ti ~1700MHz, cuda 2432 - $615 >> GTX 1080Ti ~1600MHz, cuda 3584 - $930 >> >> *CPU* >> Ryzen 7 2700X - $357 >> 4200MHz, 8/16 cores/threads, cache L1/L2/L3 768KB/4MB/16MB, 105W, max.T >> 85C >> >> Threadripper 1950X - $930 >> 4000MHz, 16/32 cores/threads, cache L1/L2/L3 1.5/8/32MB, 180W, max.T 68C >> >> i7 8086K - $515 >> 4800MHz, 6/12 cores/threads, cache L2/L3 1.5/12MB, 95W, max.T 100C >> >> i7 8700K - $442 >> 4600MHz, 6/12 cores/threads, cache L2/L3 1.5/12MB, 95W, max.T 100C >> >> The most suitable combinations CPU+GPU are as follows: >> 1) Ryzen 7 2700X + two GTX 1080 - $1587 >> 1.1) Ryzen 7 2700X + one GTX 1080 + one GTX 1080*Ti* - $1900 (maybe?) >> 2) Threadripper 1950X + one GTX 1080Ti - $1860 >> 3) i7 8700K + two GTX 1080 - $1672 >> 4) Ryzen 7 2700X + three GTX 1070 - $1900 >> My suggestions: >> Variant 1 seems to be the most suitable. >> Variant 2 seems to be suitable only if the single simulation is running on >> workstation >> It’s a bit confusing that in synthetic tests/games performance of i7 8700 >> is higher than Ryzen 7 2700. >> Thanks a lot again for your advice, it has already clarified a lot! >> >> >> >> > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/Support > /Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- С уважением, Ольга Селютина -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
