Ole Schütt
Ole Schütt
The programs are being killed (`Program received signal SIGABRT`). So, perhaps they are exceeding the memory limit that you set for your containers? When using MPI with Docker it's also...
While the plane wave code does already [pin a couple of buffers](https://github.com/cp2k/cp2k/search?q=offload_malloc_pinned_mem), it might very well be that some are still missing. Unfortunately, I'm not very familiar with that code...
CC: @mtaillefumier
Thanks! Indeed, these keywords no longer exist in the [FORCE_EVAL/PW_DFT/PRINT](https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/PW_DFT/PRINT.html) section.
My bad. I guess, we should remove those keywords?
> one could even package cp2k for pkgsrc Yes, users should really install CP2K through a distribution. Unfortunately, there are [quite a few](https://www.cp2k.org/download#from_a_distribution) of them. Therefore, our move to CMake...
> I see that it chooses a specific config for libint2, for example, lmax5. Ist that just a sensible default for anyone? Yes, the `lmax=5` is a reasonable default. However,...
> OK, this is getting off-topic … Indeed :-) But those are all very good questions. How about you re-post them as a new issue?
Might be related to #1999.
> The only tasks to be done are on the project owner side to enable packit. I've already enabled the Packit-as-a-Service app for this repo.