Hi, if you have a small simulation system or constraints over long distances >>1 nm it could very well be that no domain decomposition can be found. Try to run using less domains (i.e. MPI ranks), or switch over to Gromacs 4.6 or 5.0, where you can use multiple OpenMP threads per MPI rank, thereby making use of all 16 cores.
Carsten > On 07 Aug 2015, at 06:55, shabana yasmeen <[email protected]> wrote: > > I am using Gromacs 4.5.5 > -- > 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 [email protected]. -- 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 [email protected].
