[gmx-users] how to restart a stopped simulation

[Venkat Reddy]

State_prev.cpt is the previous check point file to state.cpt. Usually the
check point file generates for every 15 mins. You can use the
state_prev.cpt because your state.cpt has no data (0 bytes)


On Mon, Nov 12, 2012 at 11:54 AM, ananyachatterjee <
ananyachatterjee at iiserkol.ac.in> wrote:

> Hi all,
>
> I have restarted my simulation stopped due to power failure by using the
> command:
>
> mdrun -s md.tpr -cpi state.cpt -append
>
>  And now I am getting the following error:
>
> Program mdrun, VERSION 4.0.7
> Source code file: ../../../../src/gmxlib/**checkpoint.c, line: 547
>
> Fatal error:
> The checkpoint file is empty/corrupted, or maybe you are out of quota?
>
> can any one help in this regards.
>
> I have two .cpt files one state.cpt (0 bytes) and another state_prev.cpt
> file(5.4 MB). Should I have to use state_prev.cpt file to restart the
> simulation?
>
>
> On Mon, 12 Nov 2012 11:37:02 +0530, Kavyashree M wrote:
>
>> Hi Ananya,
>>
>> You can refer this.
>>
>> http://www.gromacs.org/**Documentation/How-tos/Doing_**
>> Restarts?highlight=restarting<http://www.gromacs.org/Documentation/How-tos/Doing_Restarts?highlight=restarting>
>>
>> bye
>> kavya
>> On Mon, Nov 12, 2012 at 11:27 AM, ananyachatterjee <
>> ananyachatterjee at iiserkol.ac.**in <ananyachatterjee at iiserkol.ac.in>>
>> wrote:
>>
>>
>>> Hi all,
>>>
>>> my simulation has stopped due to power failure, can anyone tell me how to
>>> restart it from the same point.
>>> --
>>> Ananya Chatterjee,
>>>
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> --
> Ananya Chatterjee,
> Senior Research Fellow (SRF),
> Department of biological Science,
> IISER-Kolkata.
>
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-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036