[Wien] error on SCF calculation

[Gavin Abo]

As Pavel mentioned, open the SRC_lapw1/compile.msg file in a text editor 
and check for error messages (e.g., enter in a terminal: gedit 
$WIENROOT/SRC_lapw1/compile.msg).

On 5/20/2015 9:52 AM, rachida lamouri wrote:
> Dear all,
> I'm sorry, i made a careless mistake; lapw1c doesn't exist.
> what should I do???
>
> Best regards,
> Rachida
> > Date: Wed, 20 May 2015 17:21:47 +0200
> > From: pieper at ifp.tuwien.ac.at
> > To: wien at zeus.theochem.tuwien.ac.at
> > Subject: Re: [Wien] error on SCF calculation
> >
> > Dear Rachida,
> >
> > Pavel asked you to check if lapw1c exists - the c at the end is
> > important!
> >
> > Does ZnS need the complex version?
> >
> > Did you have any error messages during initialization?
> >
> > Are you able to do SCF's on example structures (the TiC example)?
> >
> > Best regards,
> >
> > Martin Pieper
> >
> > ---
> > Dr. Martin Pieper
> > Karl-Franzens University
> > Institute of Physics
> > Universitätsplatz 5
> > A-8010 Graz
> > Austria
> > Tel.: +43-(0)316-380-8564
> >
> >
> > Am 20.05.2015 15:54, schrieb rachida lamouri:
> > > Dear Pavel,
> > > thank you for your contribution.
> > > I checked if lapw1 exists and there is, and for version 14.2 I have
> > > tried and I had the same problem.
> > > I thought it may be due to an error in the installation, if there is a
> > > trick or something to change during installation.
> > >
> > > Best regards.
> > > Rachida.
> > >
> > >> From: pavel.ondracka at email.cz
> > >> To: wien at zeus.theochem.tuwien.ac.at
> > >> Date: Wed, 20 May 2015 14:58:52 +0200
> > >> Subject: Re: [Wien] error on SCF calculation
> > >>
> > >> Dear Rachida,
> > >>
> > >> the "hup: Command not found." line is harmless, however the "lapw1c:
> > >> Command not found" is not.
> > >> It looks like the lapw1c doesn't exist. It is possible it wasn't
> > >> compiled properly (especially since there are multiple known
> > > problems
> > >> when compiling Wien2k 13 with gfortran). Check if the lapw1c binary
> > >> exists and if not then check your compile log for errors (file
> > >> compile.msg in SRC_lapw1 subfolder).
> > >> Also Wien2k 14.2 is the recommended version with many compilation
> > > fixes,
> > >> so please upgrade to the latest version.
> > >>
> > >> Best regards
> > >> Pavel
> > >>
> > >>
> > >> On Wed, 2015-05-20 at 13:18 +0100, rachida lamouri wrote:
> > >> > hello,
> > >> > I am running wien2k_13 with gfortran compiler.
> > >> > when i try to run SCF calculation for ZnS, i get this error msg :
> > >> >
> > >> > hup: Command not found.
> > >> > STOP LAPW0 END
> > >> > /home/rachida/wien2k/lapw1c: Command not found.
> > >> >
> > >> > > stop error
> > >> >
> > >> > If you could help me I would be very honorable.
> > >> > Pending a favorable response, please accept my respectful
> > > greetings.
> > >> > best regards.
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