[Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran

[Peter Blaha]

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?
>
-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email:peter.blaha at tuwien.ac.at           
WWW:http://www.imc.tuwien.ac.at       WIEN2k:http://www.wien2k.at
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