[Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran

[David Holec]

Hi Pavel,

I have added now -DHAVE_LIBMVEC to the compiler options as you have
suggested (and removed it from the preprocessor flags).

 O   Compiler options:        -ffree-form -O2 -ftree-vectorize
-march=native -ffree-line-length-none -ffpe-summary=none -DHAVE_LIBMVEC
 P   Preprocessor flags       -DParallel


Here are the results of the test case:

$ x lapw1
STOP  LAPW1 END
109.094u 1.126s 0:29.41 374.7%  0+0k 0+37864io 0pf+0w
$ grep HORB *output1*
test_case.output1:       TIME HAMILT (CPU)  =    11.9, HNS =    15.2, HORB
=     0.0, DIAG =    82.4, SYNC =     0.0
test_case.output1:       TIME HAMILT (WALL) =     3.1, HNS =     4.4, HORB
=     0.0, DIAG =    21.2, SYNC =     0.0

David

---
*Dr David Holec*
*Computational Materials Science group*
Department of Materials Science
Montanuniversität Leoben



Franz-Josef-Strasse 18, A-8700 Leoben, Austria
tel. +43-(0)3842-4024211
fax. +43-(0)3842-4024202
materials.unileoben.ac.at
cms.unileoben.ac.at
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