[gmx-users] how to restart a stopped simulation

[ananyachatterjee]

 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
>
> bye
> kavya
> On Mon, Nov 12, 2012 at 11:27 AM, ananyachatterjee <
> 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.