[QE-users] [QE-GPU] Phonon calculation freezing without explanation

[pdelugas at sissa.it]

Hello

If you want to compute phonons using  GPU acceleration, you must use 
QE-7.2.

Pietro

On 30/08/23 15:34, Owens, Jonathan (GE Vernova, US) wrote:
>
> Hello,
>
> QE Version: 7.0-GPU
>
> I am trying to run a phonon calculation on a ~192 atom system. The 
> calculation stops, without explanation, after the lines:
>
>      Representation   573      1 modes - To be done
>
>      Representation   574      1 modes - To be done
>
>      Representation   575      1 modes - To be done
>
>      Representation   576      1 modes - To be done
>
> I’ve waited up to a few hours, but nothing more ever seems to happen, 
> including disk I/O.
>
> I had tried the same calculation for a similar, but different system 
> and the same thing happened. I also found this previous post 
> (https://lists.quantum-espresso.org/pipermail/users/2020-February/044022.html) 
> but there didn’t seem to be a resolution to Sayan’s problem.
>
> Here are some links to the various input/output files:
>
>   * PW input: pw.in
>     <https://github.com/jonathan-owens/qe-help/blob/fb852892247df2dc407d2c9462a206a4e928ac40/pw.in>
>   * PW output: pw.out
>     <https://github.com/jonathan-owens/qe-help/blob/fb852892247df2dc407d2c9462a206a4e928ac40/pw.out>
>   * PH input: ph.in
>     <https://github.com/jonathan-owens/qe-help/blob/fb852892247df2dc407d2c9462a206a4e928ac40/ph.in>
>   * PH output: ph.out
>     <https://github.com/jonathan-owens/qe-help/blob/fb852892247df2dc407d2c9462a206a4e928ac40/ph.out>
>
> Thank you for any help you can provide!
>
> *Jon Owens, PhD***(he/him)
> Lead Scientist – Material Chemistry and Physics
> GE Vernova Advanced Research Center
>
>
> M +1 518 703 1441
>
>
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