One thing to check is virtual memory fragmentation, e.g. do "cat /proc/buddy_info". (Please google this, the /proc directory has a lot of useful information.)
Some sources say that memory fragmentation "does not occur" in Linux, but others that it does. My experience is that it does, and can lead to significant slowdowns. It is not impossible that this is connected if rebooting works (for a bit). ---- Professor Laurence Marks Department of Materials Science & Engineering Northwestern University www.numis.northwestern.edu "Research is to see what everyone else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi ________________________________ From: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of Fecher, Gerhard <fec...@uni-mainz.de> Sent: Thursday, June 10, 2021 8:03 AM To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> Subject: Re: [Wien] segmentation fault in lapwso Thanks all for the suggestions. Finally, restarting the computer helped, no idea what happened. I will try some more things to reproduce it. (actually it runs with OMP_NUM_THREADS=8, just as test.) 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-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Peter Blaha [pbl...@theochem.tuwien.ac.at] Gesendet: Donnerstag, 10. Juni 2021 14:40 An: wien@zeus.theochem.tuwien.ac.at Betreff: Re: [Wien] segmentation fault in lapwso Please set OMP_NUM_THREADS to 1 and rerun. I had such a seg.fault once and suspect that there is a problem either with our OMP parallelization or the pthread-library. If I remember correctly, it even worked with OMP_NUM_THREADS=6 ! and my conclusion was that it was a problem with intel. Otherwise, compile with -C and rerun, and/or compile with gfortran and openblas if possible and finally, we need the case for debugging. Regards Am 10.06.2021 um 13:17 schrieb Fecher, Gerhard: > Dear all, > while running a -so calculation I hit a segmentation fault in lapwso (see > below) with the latest version Wien2k21.1 that does NOT appear in 19.2. > (appeared for two different systems in fresh directories) > > Did someone experience the same, or did I miss a report and may be not up to > date? > > I used all settings the same (mostly default values), and the same compilers > and options (Intel OneAPI 2021 2.0 and Parallel Studio XE 2017.4.056) for > both versions, 21.1 and 19.2 > > forrtl: severe (174): SIGSEGV, segmentation fault occurred > Image PC Routine Line Source > lapwso 000000000046CE0A Unknown Unknown Unknown > libpthread-2.22.s 00002AFBCC6DAB10 Unknown Unknown Unknown > libiomp5.so 00002AFBCCF2C8E8 Unknown Unknown Unknown > lapwso 000000000049F7A6 Unknown Unknown Unknown > lapwso 0000000000421E9E hmsec_ 926 hmsec.F > > line 926 is; deallocate(meigve) > indeed, if this is the correct line at all. > > indeed in 21.2 (I have seen that hmsec.F is different in 19.2) > > Thanks for any suggestions that help > > 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 > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!D1C_5Q7CL9xXbtDTmbJZHREmTZfAMO3RIbUUgsEfT3VUMQm82xQPTxwyrxn6JPQAXxEQeg$ > SEARCH the MAILING-LIST at: > https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!D1C_5Q7CL9xXbtDTmbJZHREmTZfAMO3RIbUUgsEfT3VUMQm82xQPTxwyrxn6JPQGgNWOYg$ -- ----------------------------------------------------------------------- Peter Blaha, Inst. f. 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