[gmx-users] no domain decomposition error while simulating membrane protein
ckutzne at gwdg.de
Fri Aug 7 11:55:10 CEST 2015
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.
> On 07 Aug 2015, at 06:55, shabana yasmeen <shabana.yasmeen90 at gmail.com> 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 gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users