[gmx-users] About Check point for restart

[Justin Lemkul]

On 3/16/13 7:15 AM, vidhya sankar wrote:
> Dear Justin Thank you for previous reply,
>                                                                    There is power cut when i run My simulation So My System Gets Automatically restarted (Due to Low ups Power Packing)  Then I want To restart My simulation using the obtained Checkpoint so i am using the following Command to restart
> ./mdrun_d  -s emdppccycN31_solionsfull.tpr  -cpi emdppccycN31_solionsfull_prev.cpt  -v -nt 4 -deffnm emdppccycN31_solionsfull  -cpt 2 -append
>
> But I have Got the following Error
>
>
> Checksum wrong for 'emdppccycN31_solionsfull.log'. The file has been replaced or its contents has been modified.
>
> Could you please suggest me a solution ?
>

Don't use -append.  Concatenate the relevant output files later yourself.

-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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