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: pie...@ifp.tuwien.ac.at
> To: wien@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.ondra...@email.cz
> >> To: wien@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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