[Wien] "Segmentation fault" in lapw2 program

[Laurence Marks]

Do you have "stacksize unlimited" set? If it works in a smaller case,
not in a larger one, this may be the problem.

On 6/14/07, cesar <cesar at unizar.es> wrote:
> Hi,
>
> I tried dynamic linking without particular optimizations but no hope.
>
> Laurence Marks suggested me to follow step by step the script "x lapw2" by
> using the compiling flags -g, -CB, -traceback but no hope, too.
>
> It has to be the memory problem! you suggested in the PDF file you have in
> the web.
>
> Laurence Marks expect to find some problem executing "x lapw2 -fermi", but
> it works fine and does not show errors up. However, on continuing the
> "Segmentation fault" does not disappear, and the "case.dayfile" or directly
> in the command line, this problem does not seem to show up any more
> information than "Segmentation faul".
>
> Have you tried to comment this problem to the intel people in any of INTEL
> forums?
>
> Cheers,
> Cesar
>
> PS: I m just trying to debug the lapw2 by using INTEL tools but I m afraid,
> I m loosing the time...
>
> -----Mensaje original-----
> De: wien-bounces at zeus.theochem.tuwien.ac.at
> [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] En nombre de Gerhard Fecher
> Enviado el: sábado, 09 de junio de 2007 7:52
> Para: A Mailing list for WIEN2k users
> Asunto: Re: [Wien] "Segmentation fault" in lapw2 program
>
> Try to use dynamic linking,
> I am just testing 10.0 of the compiler, but I don't think that this problem
> changed.
>
> Ciao
> Gerhard
>
>
> -----Ursprüngliche Nachricht-----
> Von: wien-bounces at zeus.theochem.tuwien.ac.at im Auftrag von cesar
> Gesendet: Do 07.06.2007 11:21
> An: 'A Mailing list for WIEN2k users'
> Betreff: [Wien] "Segmentation fault" in lapw2 program
>
> To whom may help me,
>
>
> Quite recently, I ve been found the following error in lapw2 program when I
> run the SCF.
> ------------------------------------------------------------------
>     start       (Thu Jun  7 11:00:07 CEST 2007) with lapw0 (20/20 to go)
>
>     cycle 1     (Thu Jun  7 11:00:07 CEST 2007)         (20/20 to go)
>
> >   lapw0       (11:00:07) 12.646u 0.241s 0:12.88 100.0%        0+0k 0+0io
> 0pf+0w
> >   lapw1       (11:00:20) 14.442u 0.387s 0:14.85 99.7% 0+0k 0+0io 0pf+0w
> >   lapw2       (11:00:35) Segmentation fault
> 0.797u 0.053s 0:00.85 98.8%     0+0k 0+0io 0pf+0w
>
> >   stop error
> ------------------------------------------------------------------
> (I m using a reduced number of k-points to check the SCF convergence, and
> the -traceback compiling option is enabled but optimization flag are still
> enabled)
> ------------------------------------------------------------------
>
> This fault seems to be related with the increment of the number of atoms in
> the unit cell because on decreasing this number the fault disappears (of
> course for other system).
>
> I ve change the compiling dimension NMATMAX from 10000 to 20000 or higher to
> increase the matrixsize of the basis function (the memory should be enough,
> 6 Gb), but lapw2 fails again in the first SCF cycle.
>
> Can this problem be associated to the memory limitation of em64t systems
> above 2Gb? (mentioned in "www.ghfecher.de/Fecher_CompileIntel.pdf", section
> 5.1)
>
> Is it possible to fix this problem with a dynamic linking of some
> libraries?, or Any idea to fix this problem?
>
> Sincerely,
> Cesar de la Fuente
> cesar at unizar.es
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> PS:
> -I ve tried to calculate using TEMP option instead TETRA, but nothing.
> -I ve not installed MPI and SCALAPACK libraries, only the usual Intel and
> scalapack_wien2k libraries.
> -I m using ifc 9.0, mkl 8.0 and Linux (RHE4-ud2 for WS). My system is a Dual
> Xeon Pentium with 6Gb of (real) memory.
>
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-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
EMM2007 http://ns.crys.ras.ru/EMMM07/
Commission on Electron Diffraction of IUCR
www.numis.northwestern.edu/IUCR_CED