[Wien] segmentation fault in lapwso
Luis Ogando
lcodacal at gmail.com
Wed Aug 18 14:52:18 CEST 2021
Dear Wien2k Community,
Just adding two points:
1) Dear Prof. Fecher, in my case, restarting the machine did not solve the
problem and all the executables were compiled with the same Intel oneAPI
version.
2) Dear Prof. Ondračka, in my case, I used the lapwso serial version. In
fact, it was a very simple system, named, InP in the zinc blende symmetry.
If someone needs/wants more information, please let me know.
All the best,
Luis
Em qua., 18 de ago. de 2021 às 04:32, Pavel Ondračka <
pavel.ondracka at email.cz> escreveu:
> Dear Luis,
>
> one very easy thing to try could be to set environment variable
> OMP_STACKSIZE to something large like "1g", i.e., "export
> OMP_STACKSIZE=1g" before run_lapw. Small OpenMP stacksize caused issues
> for us previously so could be the case here as well. The only explicit
> omp loop in hsocalc.F does allocates all private variables on the stack
> and few of them are arrays, it is feasible this could be the case.
>
> 2 prof. Blaha:
> from a very brief visual inspection of the OpenMP code in lapwso, I
> believe there could be another small issue with combined MPI OpenMP. At
> lines hsocalc.F:159 and hsocalc.F:160 the variables ibf_local and
> ibi_local should be probably private. This should not be the cause of
> the here reported problems though as that would only influence the
> lapwso_mpi. The rest seems OK though (at first glance).
>
> Best regards
> Pavel
>
> On Tue, 2021-08-17 at 18:18 -0300, Luis Ogando wrote:
> > 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 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
> > <fecher at uni-mainz.de> 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
> > > _______________________________________________
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>
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