[Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler

[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/wien@zeus.theochem.tuwien.ac.at/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$(MKLROOT)/include/fftw
> the test was on a machine with two AMD EPYCs
>
> What was triggering the core dump in your case? was it a segmentation fault or something else ?
>
> I guess there is some incompatibility between differen libraries rather a problem with the kernel
> did you check that there is no mixture of versions.
>
> Some years ago we decided not to use rolling update versions anymore
>
> Ciao
> Gerhard
>
> DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
> "I think the problem, to be quite honest with you,
> is that you have never actually known what the question is."
>
> ====================================
> Dr. Gerhard H. Fecher
> Institut of Physics
> Johannes Gutenberg - University
> 55099 Mainz
> ________________________________________
> Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Michael Fechtelkord via Wien [wien at zeus.theochem.tuwien.ac.at]
> Gesendet: Samstag, 29. März 2025 17:42
> An: A Mailing list for WIEN2k users
> Cc: Michael Fechtelkord
> Betreff: Re: [Wien] lapw0 coredump on Opensuse Tumbleweed (Kernel 6.13.8-1-default (64-bit)) with Intel OneApi ifx / icx Compiler
>
> Hello Gerhard,
>
> - Compiler switches were -O3 -xAVX2 -FR -mp1 -w -prec_div -pc80 -pad -ip
> -DINTEL_VML -traceback -assume buffered_io -I$(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 [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Michael Fechtelkord via Wien [wien at zeus.theochem.tuwien.ac.at]
>> 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:Michael.Fechtelkord at ruhr-uni-bochum.de
>> 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:Michael.Fechtelkord at ruhr-uni-bochum.de
>> Web Page:https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
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