Dear Luis, Indeed, this seems to be similar to a problem I had in June But finally it was running after a restart of the computer with up to OMP_NUM_THREADS=8 (did not check more) https://www.mail-archive.com/[email protected]/msg21138.html
I suspected that I accidently mixed different versions of the Intel compiler, because I could not reproduce it after the restart therefore I assumed that it was me rather than Wien2k or Intel that caused thje trouble. I see that your pthread library (2.28) is eventually different from the one in my case (2.22, or actually 2.26), but this is a Linux library and not an Intel one 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 Luis Ogando [[email protected]] Gesendet: Dienstag, 17. August 2021 23:18 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] segmentation fault in lapwso Dear Wien2k Community, Greetings! This message is only to inform that I also had a fragmentation problem with lapwso and Wien2k-21. It was a very strange case. After a converged SCF cycle with mBJ and SO, I could not run "run_lapw -NI -so ...". In this case, I always got the following error after lapwso: forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source lapwso 000000000046A0EA Unknown Unknown Unknown libpthread-2.28.s 00001530B217B730 Unknown Unknown Unknown libiomp5.so 00001530B1D132FB Unknown Unknown Unknown libiomp5.so 00001530B1D13049 Unknown Unknown Unknown libiomp5.so 00001530B1D14B59 Unknown Unknown Unknown libiomp5.so 00001530B1D161E8 Unknown Unknown Unknown libiomp5.so 00001530B1D0C926 Unknown Unknown Unknown lapwso 000000000049CA86 Unknown Unknown Unknown lapwso 000000000040D77F hmsout_mp_finit_h 119 modules.F lapwso 000000000042B94E MAIN__ 622 lapwso.F lapwso 0000000000404D22 Unknown Unknown Unknown libc-2.28.so<http://libc-2.28.so/> 00001530A3E3609B __libc_start_main Unknown Unknown lapwso 0000000000404C2A Unknown Unknown Unknown 0.167u 0.051s 0:00.10 210.0% 0+0k 0+1976io 0pf+0w error: command /home/ogando/Wien/Wien21/lapwso lapwso.def failed The solution was to change OMP_NUM_THREADS from 4 to 1. I checked and it also worked with OMP_NUM_THREADS equal to 2 but not 3. If someone is interested in the compilation options or any other information, please ask. All the best, Luis Em qui., 10 de jun. de 2021 às 08:17, Fecher, Gerhard <[email protected]<mailto:[email protected]>> escreveu: 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 [email protected]<mailto:[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
