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/ > > _______________________________________________ > 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 > _______________________________________________ > 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: http://www.mail-archive.com/[email protected]/index.html _______________________________________________ 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
