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