<div dir="ltr"><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000">Use icc for fftw</div><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000">Search for and download:</div><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000"><a href="http://l_HPCKit_p_2021.1.0.2684.sh">l_HPCKit_p_2021.1.0.2684.sh</a></div><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000"><a href="http://l_BaseKit_p_2021.1.0.2659.sh">l_BaseKit_p_2021.1.0.2659.sh</a></div><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000"><br></div><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000">Fingers crossed the depositories are still available.</div></div><br><div class="gmail_quote gmail_quote_container"><div dir="ltr" class="gmail_attr">On Fri, Aug 29, 2025 at 7:34 AM Michael Fechtelkord via Wien <<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><u></u>
<div bgcolor="#FFFFFF">
<p>Thanks Laurence for your suggestions!</p>
<p><br>
</p>
<p>1) Using ifort / icc .. Compiling fftw3 with icx of the one-api
package and "make check" gives the same relink error during mpirun
.</p>
<p>2) Unfortunately I have only the latest and last ifort version</p>
<p>3) Does not change anything for the compilation of fftw3 because
it is completely written in C and only linked to ifort in the
WIEN2k compilation.</p>
<p><br>
</p>
<p>Thanks again for your help!</p>
<p><br>
</p>
<p>Best regards,</p>
<p>Michael</p>
<p><br>
</p>
<div>Am 29.08.2025 um 13:35 schrieb Laurence
Marks:<br>
</div>
<blockquote type="cite">
<div dir="auto">
<div>This link may help: <a href="https://github.com/spack/spack/issues/48296" target="_blank">https://github.com/spack/spack/issues/48296</a>
. It appears to be an inconsistency between system libraries
and ifort. Not easy to cure. (There might be other pages,
search with ifort + Relink.)</div>
<div dir="auto"><br>
</div>
<div dir="auto">Three possibilities:</div>
<div dir="auto">1. Compile fftw3 with ifort/icc. While ifort
& gcc are supposed to be compatible, it could be that they
are using different system libraries.</div>
<div dir="auto">2. Regress to 2021.1.1 . I tested others and was
not convinced they were better, in fact they could be buggy.
You don't have to uninstall other versions, use a config file.</div>
<div>3. Add -mcmodel=medium to your ifort line. I had to after a
recent OS update, although I cannot remember the exact reason
why.</div>
<div>___<br>
Emeritus Professor Laurence Marks (Laurie)<br>
Department of Materials Science and Engineering, Northwestern
University<br>
<a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a><br>
"Research is to see what everybody else has seen, and to think
what nobody else has thought" Albert Szent-Györgyi</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Fri, Aug 29, 2025, 05:54
Michael Fechtelkord via Wien <<a href="mailto:wien@zeus.theochem.tuwien.ac.at" target="_blank">wien@zeus.theochem.tuwien.ac.at</a>>
wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear
all,<br>
<br>
<br>
I am back now to ifort 2021.13 because it crashes much less as
the new <br>
ifx compiler, also it produces omp errors using fftw3 during
compilation.<br>
<br>
All worked fine since the last Open Suse Tumbleweed version
using Kernel <br>
6.16.3-1 (Opensuse Tumbleweed 202250827). Parallel Jobs
terminate when <br>
using "mpirun" with the following error. The same error
appears when I <br>
have compiled fftw 3.10 with gcc 15.1 and run "make check" the
check <br>
routine crashes when using mpirun with the same error.<br>
<br>
<br>
Does somebody know what that relink error means and how to
solve it? Is <br>
it maybe the opensuse libm.so.6 library (glibc version 2.42.1)
causing <br>
the error, because the new version does not contain the
symbol, libmpi <br>
is reqeusting?<br>
<br>
<br>
<br>
Best regards,<br>
<br>
Michael<br>
<br>
---------------<br>
<br>
EXECUTING: mpirun -np 4 -machinefile .machine_nmrinteg <br>
/usr/local/WIEN2k/nmr_mpi -case MgF2 -mode integ -green<br>
<br>
/usr/local/WIEN2k/nmr_mpi: Relink <br>
`/opt/intel/oneapi/mpi/2021.13/lib/libmpi.so.12' with
`/lib64/libm.so.6' <br>
for IFUNC symbol `modff'<br>
/usr/local/WIEN2k/nmr_mpi: Relink <br>
`/opt/intel/oneapi/mpi/2021.13/lib/libmpi.so.12' with
`/lib64/libm.so.6' <br>
for IFUNC symbol `modff'<br>
/usr/local/WIEN2k/nmr_mpi: Relink <br>
`/opt/intel/oneapi/mpi/2021.13/lib/libmpi.so.12' with
`/lib64/libm.so.6' <br>
for IFUNC symbol `modff'<br>
/usr/local/WIEN2k/nmr_mpi: Relink <br>
`/opt/intel/oneapi/mpi/2021.13/lib/libmpi.so.12' with
`/lib64/libm.so.6' <br>
for IFUNC symbol `modff'<br>
<br>
===================================================================================<br>
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES<br>
= RANK 0 PID 396989 RUNNING AT localhost<br>
= KILLED BY SIGNAL: 11 (Segmentation fault)<br>
===================================================================================<br>
<br>
===================================================================================<br>
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES<br>
= RANK 1 PID 396990 RUNNING AT localhost<br>
= KILLED BY SIGNAL: 11 (Segmentation fault)<br>
===================================================================================<br>
<br>
===================================================================================<br>
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES<br>
= RANK 2 PID 396991 RUNNING AT localhost<br>
= KILLED BY SIGNAL: 11 (Segmentation fault)<br>
===================================================================================<br>
<br>
===================================================================================<br>
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES<br>
= RANK 3 PID 396992 RUNNING AT localhost<br>
= KILLED BY SIGNAL: 11 (Segmentation fault)<br>
===================================================================================<br>
<br>
stop<br>
<br>
/opt/fftw-3.3.10/mpi/.libs/mpi-bench: Relink <br>
`/opt/intel/oneapi/mpi/2021.13/lib/libmpi.so.12' with
`/lib64/libm.so.6' <br>
for IFUNC symbol `modff'<br>
<br>
===================================================================================<br>
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES<br>
= RANK 0 PID 183831 RUNNING AT planck<br>
= KILLED BY SIGNAL: 11 (Segmentation fault)<br>
===================================================================================<br>
FAILED mpirun -np 1 /opt/fftw-3.3.10/mpi/mpi-bench:<br>
<br>
<br>
-- <br>
Dr. Michael Fechtelkord<br>
<br>
Institut für Geowissenschaften<br>
Ruhr-Universität Bochum<br>
<a href="https://www.google.com/maps/search/Universit%C3%A4tsstr.+150?entry=gmail&source=g" target="_blank">Universitätsstr. 150</a><br>
D-44780 Bochum<br>
<br>
Phone: +49 (234) 32-24380<br>
Fax: +49 (234) 32-04380<br>
<a href="mailto:Email%3AMichael.Fechtelkord@ruhr-uni-bochum.de" rel="noreferrer" target="_blank">Email:Michael.Fechtelkord@ruhr-uni-bochum.de</a><br>
Web Page:<a href="https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/" rel="noreferrer noreferrer" target="_blank">https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/</a><br>
<br>
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</blockquote>
</div>
</blockquote>
<pre cols="72">--
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: <a href="mailto:Michael.Fechtelkord@ruhr-uni-bochum.de" target="_blank">Michael.Fechtelkord@ruhr-uni-bochum.de</a>
Web Page: <a href="https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/" target="_blank">https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/</a>
</pre>
</div>
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</blockquote></div><div><br clear="all"></div><div><br></div><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature"><div dir="ltr">Emeritus Professor Laurence Marks (Laurie)<div>Northwestern University<br><div><a href="http://www.numis.northwestern.edu" target="_blank">Webpage</a> and <a href="http://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en" target="_blank">Google Scholar link</a></div><div>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Györgyi</div></div></div></div>