addman2

Fix debug flags some of them was called __DEBUG and some _DEBUG

1

Some debug flags some of them was called __DEBUG and some _DEBUG. Now they are all _DEBUG.

Draft: QMCkl

1

I am not a fan of a big changes but this is a big one. Many things are intertwined and was hard to deliver them separately. 1. `Makefun.f90` was (partly)...

There is an issuel with header files of cublas and cusolver when compiled with cuda 12. So its not possible to comile TurboRVB with cuda 12. For the time being...

Fix openmp

6

Fix problem with OpenMP. CPU only.

Testing DMC run

1

Add test for DMC run (not LRDMC)

Adding scripts for creating the 0 branch

2

There are scripts that create a special "0" execution branch for non-pseudo case making execution much faster. They are missing in this repo.

Library `qlapack` is a `lapack` wrapper, therefore, it should not be dependent whether it is serial or parallel. However due to the nature of its dependencies it is. The idea...

Add new tests

3

New test added, catching problems we have on Leonardo.

In TurboRVB we have macros that start with no under (RISC, PARALLEL, etc ...), with one underscore (_OFFLOAD, _CUBLAS, etc ...) and with two underscores (__SCALAPACK, __PORT, etc ...). Maybe...

In CMake there is no support for ARM copmilers.