Hi, We also intend that this does not happen. But none of the developers use these features much, so we need help in the form of reproducible bug reports, please :-)
Mark On Mon, Aug 6, 2018, 01:29 Alex <nedoma...@gmail.com> wrote: > To be fair, Gromacs does die with absolutely nothing in all logs once in > a while, and it is not due to queue management, of which we have none. > In my case, with a 100% probability, it happens when the setup is > garbage, like your boundaries are crap, or you mixed up angstroms with > nanometers in your custom nonbonded interactions, etc, etc. > > This is a very useful post everyone should read. > > Alex > > > On 8/5/2018 1:19 PM, Mark Abraham wrote: > > Hi, > > > > Both the log file and the street output have the reason if GROMACS > > understands the reason. Most likely on the information you've given is > that > > the queue/cluster killed the job. > > > > Mark > > > > On Sat, Aug 4, 2018, 08:31 Atila Petrosian <atila.petros...@gmail.com> > > wrote: > > > >> Hi all, > >> > >> I am doing md simulation. But mdrun stopped without any error in log > file. > >> > >> I repeated it. But mdrun stopped again in another step. > >> > >> What is the reason of stopping. > >> > >> Best, > >> Atila > >> -- > >> 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. > -- 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.
