Hello all,
that is a well known problem .. I wrote about that already in January.
https://www.mail-archive.com/[email protected]/msg23599.html
In Addition to the glibc 2.42 IFUNC modff problem I found that they made
a bug fix for the functions in this release, which maybe induced a new bug.
https://sourceware.org/bugzilla/show_bug.cgi?id=33173
Best regards,
Michael
Am 03.09.2025 um 06:29 schrieb Gavin Abo:
Interesting.
The install instructions using ifx for WIEN2k 24.1 that used Ubuntu
24.04.2 LTS, ifx version 2025.1.0, and elpa version 2025.01.001 was
out dated. I recently updated them at [1] to use Ubuntu 24.04.3 LTS,
ifx version 2025.2.1, and elpa version 2025.06.001. When I compiled
fftw version 3.3.10, I didn't have to use "autoreconf -if".
Are you using a different Linux distribution and/or version
than Ubuntu 24.04.3 LTS?
Did you have all 12 patch files at [2] for WIEN2k 24.1 applied when
you compiled where some of them are needed for using ifx?
Though, the computer system I used had an AMD 5600G processor.
Was that using the computer system with an AMD processor with the Zen
5 mircoarchitecture mentioned in your past post at [3]?
[1]
https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1_Ubuntu22.04_Install_with_OneAPI(ifx).pdf
[2] https://github.com/gsabo/WIEN2k-Patches/tree/master/24.1
[3]
https://www.mail-archive.com/[email protected]/msg23783.html
Kind Regards,
Gavin
WIEN2k user
On 9/2/2025 3:40 PM, Straus, Daniel B wrote:
I have been troubleshooting the compilation of WIEN2k on a new
workstation using the ifx compiler. The main issue I was having was
related to compilation errors in 3ddens as well as in lapw1, but the
lapw1 compilation errors only occurred when I attempted to link ELPA.
The cause of the compilation errors was FFTW. The configure script
included with FFTW version 3.3.10 is not compatible with the new
Intel compilers (icx/ifx etc.) unless an additional step is taken;
otherwise, icx is unable to link FFTW to the applicable Fortran
libraries.
To fix this issue, the FFTW configure script must be updated using
autoconf version 2.70 or greater by running the command “autoreconf
-if” in the directory where the FFTW tarball was extracted. Once I
did this, recompiled FFTW, and then recompiled WIEN2k, there were no
compilation errors for 3ddens and lapw1 with ELPA.
This is documented in the ifx release notes
(https://www.intel.com/content/www/us/en/developer/articles/release-notes/fortran-compiler/2025.html):
*Configure Script Reports: "linking to Fortran libraries from C fails"*
*Symptom*
When compiling with ifx, a ./configure script generated by GNU
Autconf reports an error message similar to:
checking for Fortran 77 libraries of ifx... -loopopt=0
-L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64
-L/usr/lib/../lib64/ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib
-lifport -lifcoremt -limf -lsvml -lm -lipgo -lirc -lpthread -lirc_s -ldl
configure: WARNING: FLIBS does not work
checking for ifx flag to add single underscore to external
names... none
checking for dummy main to link with Fortran 77 libraries... unknown
configure: error: in '/path/to/build/dir':
configure: error: linking to Fortran libraries from C fails
See `config.log' for more details
make: *** [build/config.status] Error 1
Examining the config.log file shows that the error causing
./configure to exit was:
ld: cannot find -loopopt=0
*Problem *
In trying to determine libraries needed to link Fortran code with C
or C++ code, GNU Autoconf 2.69 and earlier mistakenly interprets
-loopopt=0 in -mllvm -loopopt=0 in verbose compiler output as a
linker flag. GNU Autoconf then adds -loopopt=0 to the FLIBS
variable, which is passed to the linker. The linker then looks for a
non-existent library causing the test to fail.
*Solution for Users Downloading Source Code*
Please inform the maintainers of packages impacted by this error
about the problem and refer them to this release note. Projects vary
in how they handle configure scripts; however, some general rules
apply. Users who need a solution before the package maintainer can
respond can update the configure script themselves. The difficulty of
updating depends on how the package is distributed.
To update, first, install GNU Autoconf-2.70 or newer, as described in
Solution for Package Maintainers
<https://www.intel.com/content/www/us/en/developer/articles/release-notes/fortran-compiler/2025.html#solution-for-package-maintainers>,
below.
After installing the updated autoconf in the user's path, packages
that distribute the configure.ac file along with the configure
script can be updated simply by running:
autoreconf -if
The resulting configure script should be completed without the above
error in FLIBS.
It is not uncommon for project maintainers to remove the configure.ac
file from a source distribution in a tar or zip archive. In that
case, the user usually needs to download the project from its code
repository, and build according to the project's instructions.
Sometimes a version of the configure script is committed to version
control and not automatically regenerated. In that case, either
running autoreconf -if as described above, or deleting the configure
script often triggers it to be regenerated. Ideally, documentation
for the project will describe how to rebuild the configure script.
*Solution for Package Maintainers*
To prevent users from seeing errors, update to GNU Autoconf to
version 2.70 or later and re-generate the project configure script.
GNU Autoconf-2.70 was released
<https://lists.gnu.org/archive/html/autotools-announce/2020-12/msg00001.html>December
8, 2020. The source code is available via git clone:
http://git.sv.gnu.org/r/autoconf.git. GNU Autoconf documentation is
available through GNU Autoconf Project Page
<https://www.gnu.org/software/autoconf/>.
Daniel Straus
Assistant Professor
Department of Chemistry
Tulane University
5088 Percival Stern Hall
6400 Freret Street
New Orleans, LA 70118
(504) 862-3585
http://straus.tulane.edu/ <http://straus.tulane.edu/>
_______________________________________________
Wien mailing list
[email protected]
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST
at:http://www.mail-archive.com/[email protected]/index.html
--
Dr. Michael Fechtelkord
Institut für Geowissenschaften
Ruhr-Universität Bochum
Universitätsstr. 150
D-44780 Bochum
Phone: +49 (234) 32-24380
Fax: +49 (234) 32-04380
Email:[email protected]
Web Page:https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
_______________________________________________
Wien mailing list
[email protected]
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/[email protected]/index.html
