> > > Dear Benson and Szilard, > > Thank you for your interest. Benson, I will try to answer you questions > first: > 1) No, I have only tested 2018.3 so far. I just changed from Gromacs 5.1.4 > and these are my first tests. > 2) Not yet but I plan to do it. > 3) The results look reasonable after restart > 4) I think so but I did not this time. My computer has 16 gb of ram and I > checked the ram utilization 2h before the crash. It was only using 2gb out > of 16gb. > 5) I use my private computer so I think it should be possible to recompile > if needed or run with debug infortmation. > > Szilard. No but they are quite close. The first crashed happened at > 22536600, the second one 45006200. I did earlier different simulation > and it also crashed (seg fault) after around 12 h. >
Ok. After more research I have manage to solve the problem. Mdrun with following flags does not trigger seg fault anymore: gmx mdrun -v -deffnm md_0_1 -nb gpu -pme cpu -pmefft cpu > Best regards, > Krzysztof > -- 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.