> On 8/30/23, 12:45 PM, "Paolo Giannozzi" <paolo.gianno...@uniud.it > <mailto:paolo.gianno...@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 _______________________________________________ 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
