[gmx-users] Re: Strange statistics when running parallel Gromacs
lindahl at stanford.edu
Thu Sep 26 01:25:33 CEST 2002
Dallas Warren wrote:
>> Please, I would like to know if someone had a similar
>> problem and
>> appreciated any suggestion.
> If you look in the archives for this emailing list, last week I posted
> some data on a system I am simulating. It has about 42,000 atoms using
> PME and it is not worthwhile going past 4 nodes. Some extra performance
> was achieved by increasing the PME order and the fourier grid spacing,
> as noted in the manual. Also, the larger the system, the better that is
That sounds about correct. It will get better, though; we're working on
a rewrite of the entire parallelization...
More information about the gromacs.org_gmx-users