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<p>Michael,</p>
<p>In your stack trace [1], it seems like <font color="#0000ff">lapw0</font>
could be calling a <font color="#ff8000">AVX</font> routine:<br>
</p>
<p>Stack trace of thread
397829: #0
0x000000000103f03a __intel_<font color="#ff8000">avx</font>_rep_memset
(/usr/local/WIEN2k/<font color="#0000ff">lapw0</font> + 0xc3f03a)<br>
</p>
<p>If you haven't already, you might try to compile without the
-xAVX2 to see if it changes or not the error.</p>
<p>Of note, I don't see Opensuse in the list of Intel tested
operating systems for ifx <span class="versionValue">2025.1 </span>[2],
which might cause it to be more susceptible to bugs with the Intel
compiler, but SuSE LINUX Enterprise Server 15 in the list may be
the closet to it.<br>
</p>
[1]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg23657.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg23657.html</a><br>
[2]
<a class="moz-txt-link-freetext" href="https://www.intel.com/content/www/us/en/developer/articles/system-requirements/oneapi-fortran-compiler-system-requirements.html">https://www.intel.com/content/www/us/en/developer/articles/system-requirements/oneapi-fortran-compiler-system-requirements.html</a><br>
<p>Kind Regards,</p>
Gavin<br>
WIEN2k user<br>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 4/7/2025 1:02 AM, Fecher, Gerhard
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:6943d54b42f740688ddcdff3e3f8a6bf@uni-mainz.de">
<pre wrap="" class="moz-quote-pre">Hallo Michael,
Meanwhile I installed also OneAPI 2025.1 (with Leap, kernelversion 6.4, not Tumbleweed)
Wien2k and all my other programs run without any problems, so far. There is no difference to 2025.0 together with a 5.14. kernel.
I tested Wien2k with fftw3 from mkl (needs to change the effected makefiles by hand) and also with a self compiled version.
My OPTIONS are
-free -w -O3 -axCORE-AVX512 -fp-model=precise -DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include
or with fftw from mkl
-free -w -O3 -axCORE-AVX512 -fp-model=precise -DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include -I$(MKLROOT)/include/fftw
the test was on a machine with two AMD EPYCs
What was triggering the core dump in your case? was it a segmentation fault or something else ?
I guess there is some incompatibility between differen libraries rather a problem with the kernel
did you check that there is no mixture of versions.
Some years ago we decided not to use rolling update versions anymore
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."
====================================
Dr. Gerhard H. Fecher
Institut of Physics
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: Wien [<a class="moz-txt-link-abbreviated" href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.tuwien.ac.at</a>] im Auftrag von Michael Fechtelkord via Wien [<a class="moz-txt-link-abbreviated" href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>]
Gesendet: Samstag, 29. März 2025 17:42
An: A Mailing list for WIEN2k users
Cc: Michael Fechtelkord
Betreff: Re: [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler
Hello Gerhard,
- Compiler switches were -O3 -xAVX2 -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include
- I used also O2 instead of O3 - makes no difference (crashes also)
- single processing instead of parallel led also to a core dump
- I compiled also with ifort and icx .. that worked fine ..no crash
It seems that the combination of the current ifx compiler together with
the current Tumbleweed Kernel is responsible for the crashes.
LEAP 16 will switch a container-based ALP architecture. It is not sure
if LEAP 16 will be available in fall 2025 and if the migration from
15.6. to 16 (upgrade) can be handled properly. I just wanted to check
for an alternative.
Best regards,
Michael
Am 29.03.2025 um 16:28 schrieb Fecher, Gerhard:
</pre>
<blockquote type="cite">
<pre wrap="" class="moz-quote-pre">Not enaugh information.
What Compilerswitches ? Did you try the most optimisation right from beginning or did you start with „smooth“ switches?
Does the serial version work ?
What do you expect to go wrong with the next Leap version ?
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."
====================================
Dr. Gerhard H. Fecher
Institut of Physics
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: Wien [<a class="moz-txt-link-abbreviated" href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.tuwien.ac.at</a>] im Auftrag von Michael Fechtelkord via Wien [<a class="moz-txt-link-abbreviated" href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>]
Gesendet: Samstag, 29. März 2025 12:01
An: A Mailing list for WIEN2k users
Cc: Michael Fechtelkord
Betreff: [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler
Hello all,
due to the upcoming change of opensuse leap 15.6 to 16.0, I am trying if
opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) works better for
me than the new Leap 16 architecture. Compilation of elpa 2025, fftw
3.3.10, libxc 7.0.0 and mpich 4.3.0 and WIEN2k works all fine under
oneapi ifx / icx 2025.1.0.
However lapw0 crashes on all structures I tried to calculate. The
systemd-coredump shows the following messages:
systemd-coredump[397837]: [🡕] Process 397828 (lapw0) of user 1000
</pre>
</blockquote>
<pre wrap="" class="moz-quote-pre">....
</pre>
<blockquote type="cite">
<pre wrap="" class="moz-quote-pre">
Any ideas would be welcomed.
Best regards,
Michael
--
Dr. Michael Fechtelkord
Institut für Geologie, Mineralogie und Geophysik
Ruhr-Universität Bochum
Universitätsstr. 150
D-44780 Bochum
Phone: +49 (234) 32-24380
Fax: +49 (234) 32-04380
<a class="moz-txt-link-abbreviated" href="mailto:Email:Michael.Fechtelkord@ruhr-uni-bochum.de">Email:Michael.Fechtelkord@ruhr-uni-bochum.de</a>
Web Page:<a class="moz-txt-link-freetext" href="https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/">https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/</a>
--
Dr. Michael Fechtelkord
Institut für Geologie, Mineralogie und Geophysik
Ruhr-Universität Bochum
Universitätsstr. 150
D-44780 Bochum
Phone: +49 (234) 32-24380
Fax: +49 (234) 32-04380
Email: <a class="moz-txt-link-abbreviated" href="mailto:Michael.Fechtelkord@ruhr-uni-bochum.de">Michael.Fechtelkord@ruhr-uni-bochum.de</a>
Web Page: <a class="moz-txt-link-freetext" href="https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/">https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/</a>
</pre>
</blockquote>
</blockquote>
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