Hi all, I just recompiled GMX4.0.7. Such error doesn't occur. But 4.0.7 is about 30% slower than 4.5.3. So I really appreciate if anyone can help me with it!
best regards, Baofu Qiao δΊ 2010-11-25 20:17, Baofu Qiao ει: > Hi all, > > I got the error message when I am extending the simulation using the > following command: > mpiexec -np 64 mdrun -deffnm pre -npme 32 -maxh 2 -table table -cpi > pre.cpt -append > > The previous simuluation is succeeded. I wonder why pre.log is locked, > and the strange warning of "*Function not implemented*"? > > Any suggestion is appreciated! > > ********************************************************************* > Getting Loaded... > Reading file pre.tpr, VERSION 4.5.3 (single precision) > > Reading checkpoint file pre.cpt generated: Thu Nov 25 19:43:25 2010 > > ------------------------------------------------------- > Program mdrun, VERSION 4.5.3 > Source code file: checkpoint.c, line: 1750 > > Fatal error: > *Failed to lock: pre.log. Function not implemented.* > For more information and tips for troubleshooting, please check the > GROMACS > website at http://www.gromacs.org/Documentation/Errors > ------------------------------------------------------- > > "It Doesn't Have to Be Tip Top" (Pulp Fiction) > > Error on node 0, will try to stop all the nodes > Halting parallel program mdrun on CPU 0 out of 64 > > gcq#147: "It Doesn't Have to Be Tip Top" (Pulp Fiction) > > -------------------------------------------------------------------------- > 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. > -------------------------------------------------------------------------- > -------------------------------------------------------------------------- > mpiexec has exited due to process rank 0 with PID 32758 on >
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