Hello John,
thank you very much for the useful information!
Best regards
Arthur
-------- Original Message --------
Subject: [Wien] WIEN2k and gfortran II
Local Time: 8. Dezember 2016 1:51 PM
UTC Time: 8. Dezember 2016 12:51
From: j...@kth.se
To: wien@zeus.theochem.tuwien.ac.at <wien@zeus.theochem.tuwien.ac.at>
Dear Arthur,
"Linker Flags" and "R_LIB" are found by consulting google on "xianyi-openblas
user manual".
The "include" flag is necessary, otherwise there is a conflict with
/usr/link/ld.
Xianyi recommends -lopenblas and adds -lpthread -lgfortran with motivations
understood by wise Linuxers. They have not done any harm.
Could you improve calculation time ...? In a previous wien-bounces you find a
test where gfortran+openblas is fully competitive with intel+mkl. A try is
worthwhile.
Best regards / John
John Rundgren
Department of Theoretical Physics, KTH Royal Institute of Technology
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