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

[Owens, Jonathan (GE Vernova, US)]

> On 8/30/23, 12:45 PM, "Paolo Giannozzi" <paolo.giannozzi at uniud.it <mailto:paolo.giannozzi at uniud.it>> wrote:

> It might be. A 192-atom phonon calculation takes a lot of time for sure. 
> The initialization, especially using Ultrasoft pseudopotentials, takes a 
> lot of time and of memory. Your cutoff is quite high.

Thanks Paolo, this is helpful. I'll let it click away on the CPU while I get the 7.2 GPU compilation sorted.

Presumably, the GPU version was then just using that available CPU cores for this portion of the calculation, explaining the lack of an explicit failure?

--Jon