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

[Mohsen Ramezanpour]

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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-- 
*Rewards work better than punishment ...*