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

[Mark Abraham]

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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