Probably the same issue as http://redmine.gromacs.org/issues/1072, which is probably fixed if you update to 4.5.7.
Mark On Fri, Aug 16, 2013 at 3:05 PM, Min Wu <min...@chem.gu.se> wrote: > Hi gmx-users > > > > I had an error as followed when I restart my REMD with commands: > > > > mpirun mdrun_mpi -multi 96 -deffnm prefix_ -s prefix_.tpr -cpi -noappend > -replex 250 in gromacs version 4.5.5 > > > > Error: > > [glenn32-3.int.private:26794] *** An error occurred in MPI_Allreduce > [glenn32-3.int.private:26794] *** on communicator MPI_COMM_WORLD > [glenn32-3.int.private:26794] *** MPI_ERR_COMM: invalid communicator > [glenn32-3.int.private:26794] *** MPI_ERRORS_ARE_FATAL: your MPI job will > now abort > -------------------------------------------------------------------------- > mpirun has exited due to process rank 53 with PID 17572 on > node glenn26-3 exiting improperly. There are two reasons this could occur: > > 1. this process did not call "init" before exiting, but others in > the job did. This can cause a job to hang indefinitely while it waits > for all processes to call "init". By rule, if one process calls "init", > then ALL processes must call "init" prior to termination. > > 2. this process called "init", but exited without calling "finalize". > By rule, all processes that call "init" MUST call "finalize" prior to > exiting or it will be considered an "abnormal termination" > > This may have caused other processes in the application to be > terminated by signals sent by mpirun (as reported here). > -------------------------------------------------------------------------- > [glenn25-3.int.private:22036] 17 more processes have sent help message > help-mpi-errors.txt / mpi_errors_are_fatal > [glenn25-3.int.private:22036] Set MCA parameter "orte_base_help_aggregate" > to 0 to see all help / error messages > > > Is this a bug? how to fix it? > > > > Best regards > > Min > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists