Dear Gromacs, My colleague has attempted to issue this command:
mpirun -np 8 (or 7) mdrun_mpi ...... (etc) According to him, he gets the following error message: MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode -1. 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. ------------------------------ -------------------------------------------- ------------------------------------------------------- Program mdrun_mpi, VERSION 4.0.7 Source code file: domdec.c, line: 5888 Fatal error: There is no domain decomposition for 7 nodes that is compatible with the given box and a minimum cell size of 0.955625 nm Change the number of nodes or mdrun option -rcon or -dds or your LINCS settings However, when he uses say, -np 6, he seems to get no error. Any insight on why this might be happening? Also, when he saves the output to a file, sometimes he sees the following: NOTE: Turning on dynamic load balancing Is this another flag that might be causing the crash? What does that line mean? Thanks! Justin
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