GCC 8 and BLAS/LAPACK
Anton Kudelin
archm... at gmail.com
Sat May 19 11:36:38 UTC 2018
Hi all,
I run Arch Linux, and recently it changed the major version of the system
compiler. So I tried to compile CP2K with GCC 8.1.0 after the environment
being rebuilt and found something strange. The problem may lay far beyond
CP2K, but the program is a reliable indicator of the quality of compilers
and libraries, by the way it has very experienced community.
In short, BLAS/LAPACK routines don't working when compiled with GCC 8.1.0.
I tried NetLib BLAS/LAPACK, ATLAS, and OpenBLAS and obtained the same
results: SCF cannot get converged. On the other hand, Intel MKL does things
as earlier.
Could anybody check my results? If I get them proved, it could mean a
terrible issue with GCC 8.1.0 or even with BLAS/LAPACK that has to be
reported.
Anton
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