[gmx-users] Bug?! Lost particles while sorting

[Mark Abraham]

Hi,

Unfortunately that will just get lost in my inbox, and anyway I will have
to go and make the redmine issue. We need that (rather than email) because
multiple people might find the issue and need to be able to search for the
answer. Also, somebody else fixing the issue won't be able to contact you
easily if we need to follow up to get further information, or check that
the issue is resolved.

To file a request, please follow the link on https://redmine.gromacs.org/ after
you register an account. All quite easy, I hope! Do let us know if some
aspect is hard.

Mark

On Thu, Aug 31, 2017 at 3:04 PM Mohsen Ramezanpour <
ramezanpour.mohsen at gmail.com> wrote:

> Hi Mark,
>
> Thanks for your reply.
> I tried but I was not sure how to do so.
> May I send the corresponding files to your personal email, instead?
>
> Cheers,
> Mohsen
>
>
> On Wed, Aug 30, 2017 at 6:25 PM, Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
>
> > Hi,
> >
> > That particular output indicates that the code is not working as
> intended.
> > Please open an issue on the GROMACS redmine and attach the tpr, the log
> > file from your run, and and instructions on how to reproduce.
> >
> > Thanks,
> >
> > Mark
> >
> > On Wed, 30 Aug 2017 19:34 Mohsen Ramezanpour <
> ramezanpour.mohsen at gmail.com
> > >
> > wrote:
> >
> > > Dear Gromacs users,
> > >
> > > I am running simulations using Gromacs version 2016.3 while using GPU.
> > >
> > > I get an error in my simulations as follows:
> > >
> > > Program:     gmx mdrun, version 2016.3
> > > Source file: src/gromacs/mdlib/nbnxn_grid.cpp (line 404)
> > > MPI rank:    15 (out of 16)
> > >
> > > Software inconsistency error:
> > > Lost particles while sorting
> > >
> > > For more information and tips for troubleshooting, please check the
> > GROMACS
> > > website at http://www.gromacs.org/Documentation/Errors
> > >
> > >
> > > Googling the error I found that there were relevant bugs before
> > (discussed
> > > by Dr. Berk Hess):
> > >
> > > https://redmine.gromacs.org/issues/1379
> > >
> > > https://redmine.gromacs.org/issues/1153
> > >
> > > However, they should have been fixed in the newer versions as mentioned
> > in
> > > the above links.
> > >
> > > Can someone please let me know what the problem could be in this case?
> > >
> > > Many thanks in advance,
> > >
> > > Cheers,
> > > Mohsen
> > > --
> > > *Rewards work better than punishment ...*
> > > --
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