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
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing listus...@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
