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

[Carsten Kutzner]

Hi,

as a workaround you could run with -noappend and later
concatenate the output files. Then you should have no
problems with locking.

Carsten


On Nov 25, 2010, at 9:43 PM, Baofu Qiao wrote:

> 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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