[Wien] lapw0.def failed

Laurence Marks laurence.marks at gmail.com
Fri Jul 21 17:31:41 CEST 2023


They are all the same error, associated with fftw3.f03 not being found.

What you need to do is ls $WIENROOT/SRC_lapw0/fftw3.f03 (it is probably not
there, but just checking.)

Then look at the few lines above the first error (you don't need them all).
This will give you the compilation options. There should be something that
starts with a -I.... where your FFTW3 library include files are. This is
wrong on your system. To see what you currently have you can do
grep "-- fftw" $WIENROOT/SRC_lapw0/Makefile -A10

I cannot say exactly what is wrong as I dont know how you
configured fftw (not part of Wien2k). Something with them, which is also in
$WIENROOT/WIEN2k_OPTIONS for entries with FFTW in them


On Fri, Jul 21, 2023 at 9:53 AM Brik Hamida <hmd.brik at gmail.com> wrote:

> hmd at hmd-host:~/wien2k23$ grep -i "error" */compile.msg | grep -v -e
> arguments -e xerror |grep -v know
>
> SRC_3ddens/compile.msg:fft_modules.F:174: Error: Can't open included file
> 'fftw3.f03'
>

-- 
Professor Laurence Marks (Laurie)
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Györgyi
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