[Wien] segfault in mixer

[Laurence Marks]

I agree with Peter. A problem with SIGSEGV is that the line it indicates is
often not where the problem actually is. My guess would be that there is
something wrong with the struct format, and/or you have no PW's. For the
later try

grep -e PW case.clmval(up/dn) -A10

(change case etc)

and see if there are NAN's present.

On Wed, Nov 11, 2015 at 7:53 AM, Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> Never had such a problem.
>
> Anything in case.outputm ?
>
> setn has not much to do with the actual clmsum/val file input, except
> when the number of PW is zero (check out clmval and clmsum and
> clmsum_old files, if the K-lists are ok.), as this fft array gets
> allocated with nkknew1
>
> Otherwise more with the struct file.
>
> Is this still ok ? Can you run   x nn    with this struct file ?
>
>
>
> On 11/11/2015 02:43 PM, Elias Assmann wrote:
> > Hi List,
> >
> > In a fairly large calculation (200 atoms) I am running I get a segfault
> > in mixer:
> >
> > $ x mixer
> > forrtl: severe (174): SIGSEGV, segmentation fault occurred
> > Image               Routine            Line        Source
> > mixer               Unknown               Unknown  Unknown
> > mixer               Unknown               Unknown  Unknown
> > mixer               Unknown               Unknown  Unknown
> > mixer               Unknown               Unknown  Unknown
> > mixer               Unknown               Unknown  Unknown
> > libpthread.so.0     Unknown               Unknown  Unknown
> > mixer               setn_                      27  setn.f
> > mixer               MAIN__                   1232  mixer.F
> > mixer               Unknown               Unknown  Unknown
> > libc.so.6           Unknown               Unknown  Unknown
> > mixer               Unknown               Unknown  Unknown
> >
> > Line 27 in setn.f is just
> >
> >        FFT(1)=U0
> >
> > the ‘FFT’ array corresponds to ‘cfft’ in mixer.F, and indeed
> >
> > $ tail STO6LVO2_ovac.outputm
> > …
> >   Allocating CLM-arrays          678  MB
> >   Allocating nwav-arrays          57  MB
> >   Allocating cfft-array            0  MB
> >
> > Any idea where this might come from?  I strongly suspect some error in
> > the input because another, similar, calculation is running without this
> > problem; but I have no idea what I might have changed to cause the error.
> >
> > Here is my case.inm:
> >
> > MSR1   0.0   YES  (BROYD/PRATT, extra charge (+1 for additional e), norm)
> > 0.20            mixing FACTOR for BROYD/PRATT scheme
> > 1.00  1.00      PW and CLM-scaling factors
> > 9999  8         idum, HISTORY
> >
> > The error keeps happening even after I removed case.broyd*.
> >
> >
> >       Elias
> >
> >
> >
> >
> > _______________________________________________
> > 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
> >
>
> --
>
>                                        P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
> WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
> --------------------------------------------------------------------------
> _______________________________________________
> 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
>



-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20151111/642144f9/attachment.html>