On 2013-02-23 06:06, Daniel Wang wrote: > Hi guys~ > I have a tpr file which works perfectly with gromacs4.5. When using > gromacs4.6 with only 1 mpi process, it works normally. However, something > went wrong when process number came to 2 or more. > > e.g. > mpirun -n 6 mdrun_mpi -s gmx_workload2.tpr > > then it crashes: > > Reading file gmx_workload2.tpr, VERSION 4.0 (single precision) > Note: file tpx version 58, software tpx version 83 > Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack: > PMPI_Bcast(1920): MPI_Bcast(buf=(nil), count=56, MPI_BYTE, root=0, > MPI_COMM_WORLD) failed > PMPI_Bcast(1840): Null buffer pointer > > I'm using icc11 and intel mpi 4.0. My cluster and gromacs4.6 are supposed > to be properly configured because they works fine with other (newer > version) tpr files. Could anyone find out what happened? Input file can be > downloaded at http://www.hpcchina.org/doc/gromacs_workload.tar.gz > > > Thanks~ > I have created a bug report http://redmine.gromacs.org/issues/1156 since I could reproduce the bug. Thanks for reporting.
-- David van der Spoel, Ph.D., Professor of Biology Dept. of Cell & Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. sp...@xray.bmc.uu.se http://folding.bmc.uu.se -- 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
