Hi, You're running a thread-MPI version of GROMACS, which is probably not what you want to do if you're running mpirun. It should work even so, but whatever quirks exist with SGE are unfortunately between you, its docs and your cluster's docs and admins :-(
Mark On Sun, Sep 17, 2017 at 7:23 AM Vidya R <vidyadevi2...@gmail.com> wrote: > My log file is provided in the link below > > Can you please look into it and let me know why the error arises? > > I am feeding my commands in SGE cluster. When I run it in my login node, > gmx mdrun -v -deffnm eql runs well > > > But, through qsub command, (with 8 processors) It says, > > mpirun noticed that process rank 7 with PID 19160 on node > compute-0-28.local exited on signal 11 (Segmentation fault). > > Please help me. > > I am unable to figure out, as to whether the problem is with the version of > gromacs or the method of compiling. > > > > https://drive.google.com/file/d/0BxGqxeGwTDLbQW9OZDFuM1doUlU/view?usp=sharing > -- > 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.
