[Wien] LAPW1 ERROR

[Roberto Iglesias Pastrana]

When I execute runsp_lapw from the command line, the SCF cycle reaches the 
end with an acceptable value of  the Ni moment, etc. When I try to run SCF 
from w2web, the cycle crashes in LAPW1, as mentioned before. There seems to 
be a problem with w2web.
By the way, typing "echo $SCRATCH" gives me the right path to the scratch 
directory.
Thanks again for your input.
Roberto Iglesias.


At 16:22 16/05/2005, L. D. Marks wrote:
>Try "echo $SCRATCH" and also go into a csh and do the same. It sounds like
>your environmental variables may not be right.
>
>On Mon, 16 May 2005, Roberto Iglesias Pastrana wrote:
>
> > Dear Dr. Blaha:
> >
> > Thanks a lot for your quick reply to my previous message. I have tried to
> > do exactly what you suggest, but the SCF cycle stops again at the same
> > point. The uplapw.error is the same: strangely, it seems the program keeps
> > on trying to find the scratch directory, even though I have just told it
> > that it is ./. I also tried to create such a /scratch directory in the root
> > directory, to no avail.
> > I have executed the whole userconfig_lapw all over again. And also deleted
> > all Ni fcc directory, in order to start again as if it was the first time.
> > All this was unfruitful.
> > Any suggestions?.
> > Thanks in advance.
> > Roberto Iglesias
> >
> > At 14:37 16/05/2005, you wrote:
> > >You defined the SCRATCH variable as   /scratch
> > >and this is not correct, because you do not have a /scratch directory
> > >(but most likely a /tmp ?)
> > >
> > >Edit your .bashrc (or .cshrc) file and put a proper directory for
> > >SCRATCH
> > >(if you want it to be in your case directory specify SCRATCH as ./
> > >
> > > > 'INILPW' - can't open unit: 10
> > > >  'INILPW' -        filename: /scratch/fcc_Ni.vectorup
> > > >  'INILPW' -          status: unknown      form: unformatted
> > > >  'LAPW1' - INILPW aborted unsuccessfully.
> > >
> > >
> > >                                       P.Blaha
> > >--------------------------------------------------------------------------
> > >Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> > >Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> > >Email: blaha at theochem.tuwien.ac.at    WWW: 
> http://info.tuwien.ac.at/theochem/
> > >--------------------------------------------------------------------------
> > >_______________________________________________
> > >Wien mailing list
> > >Wien at zeus.theochem.tuwien.ac.at
> > >http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> > -----------------------------------------------------------
> > Roberto Iglesias Pastrana
> > Despacho 17
> > Área de Física Aplicada
> > Departamento de Física
> > Facultad de Ciencias de la Educación
> > Universidad de Oviedo
> > C/ Aniceto Sela, s/n 33005 Oviedo
> > Tel.: 34 (9) 85102898
> >           34 (9) 85458136
> > Fax: 34 (9) 85103324
> > e-mail: roberto at uniovi.es
> >            roberto at pinon.ccu.uniovi.es
> >
> >
>
>-----------------------------------------------
>Laurence Marks
>Department of Materials Science and Engineering
>MSE Rm 2036 Cook Hall
>2220 N Campus Drive
>Northwestern University
>Evanston, IL 60201, USA
>Tel: (847) 491-3996 Fax: (847) 491-7820
>email: L - marks @ northwestern . edu
>http://www.numis.northwestern.edu
>-----------------------------------------------
>
>_______________________________________________
>Wien mailing list
>Wien at zeus.theochem.tuwien.ac.at
>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien