On 11.09.2018 22:37, Olga Selyutina wrote: >> How would the 8600K perform without GPU (using the "-nb cpu" >> option on the mdrun binary)? > 8600K with frequency 4600Mhz was used > Command line: > gmx mdrun -nb cpu > > Core t (s) Wall t (s) (%) > Time: 1529.942 254.990 600.0 > (ns/day) (hour/ns) > Performance: 169.419 0.142
Interesting - That means, for your record: i5-8600K, 6C/6T, AVX2_512: 169.419 ns/day R2-2700X, 8C/16T, AVX2_128: 152.728 ns/day R1-1700X, 8C/16T, AVX2_128: 141.456 ns/day your overclocked coffee-lake i5 would already be slightly faster than a Ryzen2 2700X. But if you want to simulate larger membrane systems, you should possibly test also on larger membrane systems. There's a DPPC/Water membrane benchmark included in the Gromacs benchmark set. Unfortunately, it (d.dppc) wouldn't work out of the box with newer versions. I patched it up and converted it into a NPT membrane-benchmark: http://gromacs.deppenfraktur.de/gmxbench-d.dppc-npt.tgz and already got some results for some of our antique boxes: Results for 2018.3: *** i5-7600K, 4C/4T, AVX2_512: 5.512 ns/day **** i7-6700K, 4C/8T, AVX2_256: 6.858 ns/day **** R1-1700X, 8C/16T, AVX2_128: 7.490 ns/day ***** i7-5820K, 6C/12T, AVX2_256: 9.162 ns/day ***** R-2 2700X, 8C/16T, AVX2_128: 9.401 ns/day ************** GTX-980, i5-7600K, 4C/4T, AVX2_512: 28.071 ********************** GTX-1080, R1-1700X, 8C/16T, AVX2_128: 42.908 If you get some people with contemporary hardware to test for such workloads related to your projects, you can possibly buy boxes accordingly. M. -- 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.
