Just for information: the -DHAVE_LIBMVEC is a preprocessor option (like
-DINTEL_VML for ifort) and will speedup the HAMILT part due to a
vectorization of cosine/sine functions.
As far as I remember, it is available only with more recent
gfortran/openblas versions, therefore not yet a "default" gfortran option.
Peter Blaha
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Hi Pavel,
I don't think that that compiler flag has been used:
$ find . -name "Makefile" -exec grep "DHAVE_LIBMVEC" {} \;
yields nothing in my Wien2k source directory.
David
Am 24.11.2021 um 14:43 schrieb Pavel Ondračka:
Dear David,
nice, ~30 seconds instead of ~150 :-)
BTW is this already with "-DHAVE_LIBMVEC" in compiler options?
--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email:peter.bl...@tuwien.ac.at
WWW:http://www.imc.tuwien.ac.at WIEN2k:http://www.wien2k.at
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