Sorry Justin, but I dont see whats happening... Do I have to remove mpi or -np from the line while using -cpi *.cpt ?
mdrun -deffnm md -s -o -c -g -e -x -cpi >& output Thanks! On 13 August 2012 16:10, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 8/13/12 4:08 PM, Juliette N. wrote: >> >> Yes this is to continue a crashed run, but I dont know why my runs >> crash at the very beginnig of the simulation. I am using 4.5.4 so >> -append should work by default. I tried a simulation from time zero >> and it works as before ( mpirun -np 8 mdrun_mpi -deffnm md -s -o -c >> -g -e -x ) but as soon as I include the -cpi flag the it doesn work >> and I get: >> >> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. >> You may or may not see output from other processes, depending on >> exactly when Open MPI kills them. >> >> While as I said if I try to start from the very beginning it doesnt >> crash... >> >> Any ideas.. >> > > Before OpenMPI exits, there should be a reason why mdrun is exiting that is > printed to the same stream. > > > -Justin > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Only plain text messages are allowed! > * 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 -- Thanks, J. N. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
