[CP2K-user] [CP2K:20846] Accelerate Framework vs. OpenBLAS

[Rashid Riboul]

Hi;

So, I installed the program using the default arch files for MacOS install 
(thanks Krack!) and tested the install and got no errors during regression 
testing!

I then proceeded to reinstall CP2K to only utilize Apple's Accelerate 
Framework as the BLAS and LAPACK libraries and while it did compile, I had 
one failure and 10 wrong values during the regression testing.

I think that I'm probably not implementing the framework properly. I saw in 
the instructions that " -D__ACCELERATE" must be defined to account for some 
interface incompatibilities between Accelerate and reference BLAS/LAPACK, 
but I'm not entirely sure how to do that. The only thing I did do was add 
"-framework Accelerate" to the LIBS flag at the end of the arch file. Is 
there something else that needs to be done to define the framework?

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