Hello Gavin and Gerhard,
thanks for the reply. The core dump is due to a segmentation fault. I
also saw the Intel avx error in the core dump report and compiled lapw0
without the -AVX2 flag. Tumbleweed has now a new major kernel version
(6.14.0-1-default (64-bit)) and some other updates. I compiled all again
(same flags as before) and now lapw0 is running without any problems.
Thanks again for your help!
Best regards,
Michael
Am 07.04.2025 um 14:24 schrieb Gavin Abo:
Michael,
In your stack trace [1], it seems like lapw0 could be calling a AVX
routine:
Stack trace of thread
397829: #0
0x000000000103f03a __intel_avx_rep_memset (/usr/local/WIEN2k/lapw0 +
0xc3f03a)
If you haven't already, you might try to compile without the -xAVX2 to
see if it changes or not the error.
Of note, I don't see Opensuse in the list of Intel tested operating
systems for ifx 2025.1 [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.
[1]
https://www.mail-archive.com/[email protected]/msg23657.html
[2]
https://www.intel.com/content/www/us/en/developer/articles/system-requirements/oneapi-fortran-compiler-system-requirements.html
Kind Regards,
Gavin
WIEN2k user
On 4/7/2025 1:02 AM, Fecher, Gerhard wrote:
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$(MKLROOT)/include/fftw
the test was on a machine with two AMD EPYCs
What was triggering the core dump in your case? was it a segmentation fault or
something else ?
I guess there is some incompatibility between differen libraries rather a
problem with the kernel
did you check that there is no mixture of versions.
Some years ago we decided not to use rolling update versions anymore
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."
====================================
Dr. Gerhard H. Fecher
Institut of Physics
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: Wien [[email protected]] im Auftrag von Michael
Fechtelkord via Wien [[email protected]]
Gesendet: Samstag, 29. März 2025 17:42
An: A Mailing list for WIEN2k users
Cc: Michael Fechtelkord
Betreff: Re: [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel
6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler
Hello Gerhard,
- Compiler switches were -O3 -xAVX2 -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback -assume buffered_io -I$(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:
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 [[email protected]] im Auftrag von Michael
Fechtelkord via Wien [[email protected]]
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
....
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
Email:[email protected]
Web
Page:https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
--
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:[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
--
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:[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:
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