Hi, Sorry for reposting my query. I don't see a way to fix this software inconsistency issue.
I am running NPT equilibration on gpu. After I finished the NVT I got an error saying Software Inconsistency Error: Lost particles while sorting (6 out of 8) Now I looked into the archive and it seems like a bug which was fixed in gromacs versions > 5.0. I am using gromacs-2016.4 and the error is sporadic. It means for a slightly different system (a mutation of the protein under consideration, almost identical in overall system size) the simulation runs fine on the same gpu using gromacs-2016.4. I have tried to run the buggy one by creating a tpr file using gromacs 5.1.0 but no luck yet. How do I fix this? I am uploading the .tpr (gromacs 2016.4) and .mdp file in the following link. I am looking forward to your help https://drive.google.com/file/d/1wfQdbTqkIEnfUE81IDb5iATkFyedP 2in/view?usp=sharing https://drive.google.com/file/d/1iFskowIggdFkNlJwkQJ_LbeumV- QtUZ2/view?usp=sharing Regards, Soumadwip Ghosh -- 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.
