Should I use the exactly same Intel MKL link line and compiler options to compile vasp and its 3rd interfaced libraries?

[hszhao.cn@gmail.com]

It is well known that VASP has several optional features that interface with several third libraries, some of which also support/require Intel MKL for more efficient computing and data processing, for example, wannier90.

So, I want to know, in these situations, should I use the exactly same Intel MKL link line and compiler options to compile vasp and its 3rd interfaced libraries?

Regards,
HZ

[ferenc_karsai]

Yes it's definitely wise to do that.

[hszhao.cn@gmail.com]

Thank you for your comment. But I think this should be regarded as a good practice if vasp compilation uses a dynamic link 3rd library. As for the static 3rd library interfaced with vasp, say, libwannier.a, I've given the following explanation here:

If I understand correctly, the static library libwannier.a will be linked as is into vasp, and the MKL settings of vasp will only affect the stuff in vasp itself. This will also be the behavior of the MKL subroutine, which will be used for subsequent calls of these third-party libraries from within vasp. To summarize: In terms of the MKL feature invoked, merging a static library into another program with different MKL link settings does not interfere with each other.

Regards,
HZ