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["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Do you also have no message in the log file ?
Also did you try compiling with a verbose compiler like g95 using
debug options ? This would potentially help finding the problem.

On 9/4/07, Juan María García Lastra <garcialjm@unican.es> wrote:
> Hi and thank you for the quick answer, but the calculations were not done in
> parallel.
>
> Regards,
>
> Juanma
>
> -----Mensaje original-----
> De: Anglade Pierre-Matthieu [mailto:anglade@gmail.com]
> Enviado el: martes, 04 de septiembre de 2007 17:07
> Para: forum@abinit.org
> Asunto: Re: [abinit-forum] Problem with KSS files
>
> Hi,
>
> Are you running in parallel ?
> In the case you answer yes to this question, it is possible that the
> error message is in
> some temporary log files generated by each processor. Have you had a
> look there (notice that processor logs may differ) ?
>
> regards
>
> PMA
>
> On 9/4/07, garcialjm@unican.es <garcialjm@unican.es> wrote:
> > Dear Abinit forum members,
> >
> > I have problem to generate the KSS file with the latest version of ABINIT
> (I had also problems with previous versions). I have run the calculation in
> several plataforms, but it always stops without any error message. This is
> the input file:
> >
> > INPUT FILE
> >
> > acell 17.598 9.059 6.643 angstrom
> >
> > enunit 1
> >
> > nbandkss -1
> >
> > istwfk 1 1
> >
> > symmorphi 0
> >
> > ntypat 5
> > znucl 78 17 7 6 1
> >
> > nband 200
> >
> > natom  92
> > natrd  12
> > typat 1 2 3 4 4 4 4 4 5 5 5 5
> > xred
> >               0.0000000000E+00  9.6676409262E-01  2.5000000000E-01
> >               9.0333387142E-02  7.8432314128E-01  2.5000000000E-01
> >               7.3025422589E-02  1.3533939083E-01  2.5000000000E-01
> >               1.4813222070E-01  1.2225211910E-01  2.5000000000E-01
> >               1.9485628558E-01  2.4350167592E-01  2.5000000000E-01
> >               1.6261311096E-01  3.8229164940E-01  2.5000000000E-01
> >               8.4976076507E-02  3.9592559651E-01  2.5000000000E-01
> >               4.0852452778E-02  2.7033082504E-01  2.5000000000E-01
> >               5.9040593898E-02  5.0560926362E-01  2.5000000000E-01
> >               1.9795018781E-01  4.8105832937E-01  2.5000000000E-01
> >               2.5652968255E-01  2.3009169426E-01  2.5000000000E-01
> >               1.6890816530E-01  1.0086529108E+00  2.5000000000E-01
> >
> > spgroup 63
> > chkprim 0
> >
> > ecut 20.0
> >
> > kptopt 1
> > ngkpt 1 1 2
> > shiftk 0.0 0.0 0.0
> >
> > nstep 90
> > toldfe 1.0d-6
> > diemac 1.0
> > diemix 0.5
> >
> > END OF THE INPUT FILE
> >
> > And this is the output point in which it stops:
> >
> > OUTPUT FILE
> >
> >  At SCF step   13, etot is converged :
> >   for the second time, diff in etot=  9.266E-08 < toldfe=  1.000E-06
> >
> >  Cartesian components of stress tensor (hartree/bohr^3)
> >   sigma(1 1)=  3.65720097E-04  sigma(3 2)= -1.38904380E-10
> >   sigma(2 2)=  3.80621182E-04  sigma(3 1)=  0.00000000E+00
> >   sigma(3 3)=  3.37704677E-04  sigma(2 1)=  0.00000000E+00
> >
> >
> > ======================================================================
> >  Calculating and writing out Kohn-Sham electronic Structure file  Using
> diagonalized wavefunctions and energies (kssform=1)  number of Gamma
> centered plane waves  32327
> >  number of Gamma centered shells   8279
> >  number of bands  30510
> >  maximum angular momentum components      4
> >  Diagonalized eigenvalues
> >    k    eigenvalues [eV]
> >
> > END OF THE OUTPUT FILE
> >
> > Do you know anything about this error? Thank you in advavnce,
> >
> > Dr. Juan Maria Garcia Lastra
> > ETSF. San Sebastian. Spain.
> >
>
>
> --
> Pierre-Matthieu Anglade
>
>
>


-- 
Pierre-Matthieu Anglade