[gmx-users] no domain decomposition error while simulating membrane protein

Kutzner, Carsten 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
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