[gmx-users] Re: Failed to lock: pre.log (Gromacs 4.5.3)

[Baofu Qiao]

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


于 2010-11-25 20:17, Baofu Qiao 写道:
> 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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