[CP2K-user] Compiling CP2K with AMD Libraries

Bich Phuong bichphu... at gmail.com
Wed May 22 18:58:20 UTC 2019


I like to compile CP2K with AMD libs to compare the performances with the 
one compiled with OpenBLAS, LAPACK and Scalapack.
I had the system with 2 x EPYC 7601.

I checked the install_cp2k_toolchain.sh and install_acml.sh but the acml 
doesn't exist anymore (https://developer.amd.com/amd-cpu-libraries/).
I tried to link either BLIS/BLIS+libflame/LibM but nothing works (the 
available libraries other compiled them by myself follow this 
documentation https://developer.amd.com/wp-content/resources/AMDCPULibrariesUserGuide_1.3.pdf).
It complaint about undefined references to some BLAS functions.

Does anyone have experiences with this work?
Which AMD library should I use to alter the ACML one?

Thank you.
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