Hi, Except for huge simulation systems, GROMACS performance past a single node is dominated by network latency, so unless you can extract a promise that any multi-node runs will have Infiniband-quality latency (because the nodes are physically in the same room, and on Infiniband) you can forget about doing multi-node MD on such a system.
Mark On Thu, Jul 24, 2014 at 10:54 PM, Elton Carvalho <elto...@if.usp.br> wrote: > Dear Gromacs Users, > > My former university is focusing on cloud computing instead of > physical servers, so research groups are now expected to buy virtual > servers from the university coloud instead of buying their own > clusters. > > The current setup employs Xeon E7- 2870 servers and there is an > university-wide virtual cluster with 50 virtual servers each with 10 > CPUs. > > Does anyone here have information on gromacs performance on this kind > of infrastructure? Should I expect big issues? > > One thing that comes to mind is that the CPUs may not necessarily be > in the same physical server, rack, or even datacenter (their plan is > to decentralize the colocation), so network latency may be higher than > the traditional setup, which may affect scaling. Does this argument > make sense or am I missing something on cloud management 101? > > Cheers. > -- > Elton Carvalho > Departamento de Física > Universidade Federal do Paraná > -- > 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.