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.abra...@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.moh...@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 ...* > > -- > > Gromacs Users mailing list > > > > * Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > > posting! > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > * For (un)subscribe requests visit > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > > send a mail to gmx-users-requ...@gromacs.org. > > > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/ > Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- *Rewards work better than punishment ...* -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.