[CP2K-user] [CP2K:18680] install CP2K with AOCL instead of ACML

[Dan_M]

Dear all,

I am trying to compile CP2K in an AMD Epyc 7H12 cluster, where AOCL is 
installed. I assumed that AOCL would be equivalent to ACML, as ACML is said 
to be end-of-life now. However, the toolchain installation reports the 
error '-lacml not found' when invoking the toolchain with the options 
--math-mode=acml --with-acml=system. I checked that in the paths one can 
find the amd libraries for fftw3 and a number of libraries I understand are 
the new AMD high-performance equivalents of Blas, Lapack, etc etc (named 
BLIS, LibFLAME, LibM, etc). But I do not know whether CP2K is supposed to 
work well with these, or how exactly I should instruct the toolchain to 
recognize the different libraries.

Could someone comment on that?

Thanks a lot!
D.

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/ab81062a-3f19-4340-95ac-1b6eb99464f5n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230419/3350adfc/attachment.htm>