Dear all, I'm performing a three-day simulation. It runs well for the first day, but stops for the second one. The error message is below. Does anyone know what might be the problem? Thanks Liang
Program mdrun, VERSION 4.5.1-dev-20101008-e2cbc-dirty Source code file: /home/z8g/download/gromacs.head/src/gmxlib/checkpoint.c, line: 1748 Fatal error: Failed to lock: md100ns.log. Already running simulation? For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- "Sitting on a rooftop watching molecules collide" (A Camp) Error on node 0, will try to stop all the nodes Halting parallel program mdrun on CPU 0 out of 32 gcq#348: "Sitting on a rooftop watching molecules collide" (A Camp) -------------------------------------------------------------------------- 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. -------------------------------------------------------------------------- [node139:04470] [[37327,0],0]-[[37327,1],0] mca_oob_tcp_msg_recv: readv failed: Connection reset by peer (104) -------------------------------------------------------------------------- mpiexec has exited due to process rank 0 with PID 4471 on node node139 exiting without calling "finalize". This may have caused other processes in the application to be terminated by signals sent by mpiexec (as reported here). -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
