[Wien] segmentation fault in lapwso

[Fecher, Gerhard]

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-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Peter Blaha [pblaha at theochem.tuwien.ac.at]
Gesendet: Donnerstag, 10. Juni 2021 14:40
An: wien at 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 at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

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