[gmx-users] job restart error

[Justin Lemkul]

On 9/4/12 4:09 PM, Albert wrote:
> hello:
>
>   I am going to restart jobs by command:
>
>
> mpiexec -n 160 /opt/gromacs/4.5.5/bin/mdrun -nosum -dlb yes -v -s md.tpr -npme
> 20 -o md.trr -g md.log -e md.edr -cpi -append
>
>
>
> but it said:
>
>
> -------------------------------------------------------
> Program mdrun, VERSION 4.5.5
> Source code file: checkpoint.c, line: 1811
>
> Fatal error:
> Checksum wrong for 'md.log'. The file has been replaced or its contents has been
> modified.
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
>
> "Just a Minute While I Reinvent Myself" (Red Hot Chili Peppers)
>
> Error on node 0, will try to stop all the nodes
> Halting parallel program mdrun on CPU 0 out of 160
>
> gcq#283: "Just a Minute While I Reinvent Myself" (Red Hot Chili Peppers)
>
>
>
> does anybody have any advices? how can I solve this problem?
>

If your files have been modified in some way, you can't use -append.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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