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~ -- 王凝枰 Daniel Wang / npbool Computer Science & Technology, Tsinghua University -- 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
