Alfio Lazzaro

Use a centralized DEBUG flag

1

Drop all ``` LOGICAL, PARAMETER :: debug_mod = .FALSE. LOGICAL, PARAMETER :: careful_mod = .FALSE. ``` .... ``` IF (debug_mod) THEN ... ENDIF IF (careful_mod) THEN ... ENDIF ```

See https://github.com/cp2k/cp2k/issues/212 Libsmm has to be exaplained (and possibly the code has to be improved). We have to explain when (instead of libxsmm, for instance) and how to use the...

[WIP] Documentation

4

1) Macros for compiling the library 2) External library dependencies

ELPA-GPU and multigpu runs

1

Issue reported on the googlegroup, more details at: https://groups.google.com/g/cp2k/c/bvuX6RGFW1o Maybe a solution would be to use a `--with-elpa=onlycpu` flag in the toolchain?

Discussion driven by https://github.com/cp2k/dbcsr/pull/801#issuecomment-2160354339

Discussion on tuning machinery

2

Follow up of https://github.com/cp2k/dbcsr/pull/804