Hi, Unless you are studying large systems ( 10e6 atoms ) do as Carsten suggests. Get a good Intel or AMD 8 core and the best GPU you can afford. Don’t worry too much about the speed of the CPU either. 3.2 Ghz is fine.
p > On Jun 9, 2019, at 6:43 AM, Kutzner, Carsten <ckut...@gwdg.de> wrote: > > Hi, > > don’t spend all your money on a CPU - for high GROMACS performance > the GPU is as important. I would recommend to add an RTX 2070/80 GPU > to the workstation, and get a cheaper CPU. This will most likely > give you a significantly higher GROMACS performance. > See https://arxiv.org/abs/1903.05918 > > Best, > Carsten > > >> On 9. Jun 2019, at 05:32, 강동우 <dongwoo0...@kaist.ac.kr> wrote: >> >> Dear all gromacs users, >> >> I'm now about to configure workstation for gromacs. >> >> I searched on the internet, and I could find some information from >> servethehome. >> >> But in here ( >> https://www.realworldtech.com/forum/?threadid=181985&curpostid=182058) >> >> Somebody said that Xeon W-2145 will be faster than anything in the chart >> (gold 6136, 6138, etc) >> >> Xeon W family is relatvely cheaper than scalable family, but I cannot sure >> whethere this is true or not, because I cannot find any benchmark data of >> W-family in gromacs >> >> Does anybody know about the performance of xeon w-family in gromacs? My >> system will not be large (<80K atoms with C1, C2, C3, and water molecules). >> >> Dong Woo Kang >> -- >> 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. > > -- > 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. -- 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.