Alfio Lazzaro

This is a bug in CP2K :( Could you tell me where do you get it? In principle, in the popt you should not have any mention of openmp in...

Well, we don't see such a problem on the dashboard... So, I see that you are using `VERSION=psmp` but I assume it is a wrong copy&paste. Somehow you are enabling...

Well no, in Fortran is enough to have !$ at the beginning of the line...

Would it be that you are linking to OpenMP libraries, even if the flag -fopenmp is off?

So the assumption here is that we get OpenMP in DBCSR even if a compile-time we don't ask for it just because we are linking OpenMP libraries... Could you try...

Assuming that you find the reason in the linking, then we can proceed to use _OPENMP macro and see if it works

Well, not a surprise since DBCSR was part of CP2K ;) We can add a check for that and stop if this is the case, but I wonder if there...

No really, we use !$ everywhere in the code! Is this with a recent GCC compiler?

The man page says: ``` -fopenmp-simd Enable handling of OpenMP's SIMD directives with "#pragma omp" in C/C++ and "!$omp" in Fortran. Other OpenMP directives are ignored. ``` so it is...

It is a placeholder for any kind of documentation...