[Pw_forum] Molecular Dynamics Restart Failure

[jiayu]

I usually find this failure is because of disk problem. Maybe you can check your disk and recalculate from the beginning.

Otherwise, there must be problem in your input, which introduce failure in your calculations.



jiayu

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>   1. Molecular Dynamics Restart Failure (wexlek)
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> Message: 1
> Date: Fri, 29 Jul 2016 10:12:52 -0400
> From: wexlek <wexlek at rpi.edu>
> Subject: [Pw_forum] Molecular Dynamics Restart Failure
> To: pw_forum at pwscf.org
> Message-ID: <3546b8fbf76b69ba1e7aa307202eefce at rpi.edu>
> Content-Type: text/plain; charset=UTF-8; format=flowed
> 
> I have a problem running md calculations, the code failed in the 
> beginning of the run giving me the error message:
> 
>  Error in routine seqopn (16):
>      error opening ./WS2.igk
> 
> I understand that this means that it could not read the wavefunction, 
> but just re-running the code brings up the same failure message. How do 
> I restart the code while preserving the velocities and other information 
> from the last fully completed run?
> 
> Thanks for any help.
> 
> 
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