If you're building fftw3 from source with gfortran and are following my
steps, the fftw3.f03 is installed in the ~/fftw-3.3.10/include directory
as seen in step 4 of [1].
If you're using ifort instead of gfortran, fftw3 can also be built from
source and the fftw3.f03 can be installed in the ~/fftw-3.3.10/include
directory as seen in step 2 of [2].
If you are instead using fftw3 from the Ubuntu 22.04.2 LTS package,
which likely only works when using gfortran, the library header file
fftw3.f03 gets installed in the /usr/include/ directory as seen below:
username@computername:~/Desktop$ lsb_release -a
No LSB modules are available.
Distributor ID: Ubuntu
Description: Ubuntu 22.04.2 LTS
Release: 22.04
Codename: jammy
username@computername:~/Desktop$ ls /usr/include/fftw3*
ls: cannot access '/usr/include/fftw3*': No such file or directory
username@computername:~/Desktop$ sudo apt install libfftw3-dev
...
username@computername:~/Desktop$ ls /usr/include/fftw3*
/usr/include/fftw3.f /usr/include/fftw3.h /usr/include/fftw3q.f03
/usr/include/fftw3.f03 /usr/include/fftw3l.f03
Of note, the fftw3 library files (libfftw3.a and libfftw3.so), from the
Ubuntu 22.04.2 LTS package get installed in the
/usr/lib/x86_64-linux-gnu/ directory:
username@computername:~/Desktop$ ls /usr/lib/x86_64-linux-gnu/libfftw3.*
/usr/lib/x86_64-linux-gnu/libfftw3.a
/usr/lib/x86_64-linux-gnu/libfftw3.so
/usr/lib/x86_64-linux-gnu/libfftw3.so.3
/usr/lib/x86_64-linux-gnu/libfftw3.so.3.5.8
Depending on the install approach that you use for fftw3, you have to
adjust the FFTW options and FFTW-LIBS in siteconfig appropriately.
[1]
https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf
[2]
https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_OneAPI(ifort).pdf
Kind Regards,
Gavin
WIEN2k user
On 7/21/2023 9:31 AM, Laurence Marks wrote:
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 $WIENROOT/WIEN2k_OPTIONS for entries with FFTW in them
On Fri, Jul 21, 2023 at 9:53 AM Brik Hamida <hmd.b...@gmail.com> wrote:
hmd@hmd-host:~/wien2k23$ 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 <http://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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