[QE-developers] Parallelizing linear response calculations over optimal number of pools

[Max Amsler]

Thank you, indeed 6.6RC does solve the issue.

Best
Max

> On 20 Jul 2020, at 16:14, Lorenzo Paulatto <paulatz at gmail.com> wrote:
> 
> 
>> In fact, the bottleneck stems from when the wavefunction is read from the SCF calculation through "PW/src/read_file_new.f90”. There, "divide_et_impera” is called which fails if -npools is larger than nkstot from the SCF.
> 
> It does not fail anymore in version 6.6 of the code which should be out soon, although this specific case has not been tested very much. While waiting, you can use the tricks of running pw with more k-points than necessary, than specify nk1, nk2 ad nk3 in the input of phonon.
> 
> cheers
> 
> 
> 
> -- 
> Lorenzo Paulatto - Paris
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