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<body class='hmmessage'><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: pieper@ifp.tuwien.ac.at<br>> To: wien@zeus.theochem.tuwien.ac.at<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: pavel.ondracka@email.cz<br>> >> To: wien@zeus.theochem.tuwien.ac.at<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>> >> > _______________________________________________<br>> >> > Wien mailing list<br>> >> > Wien@zeus.theochem.tuwien.ac.at<br>> >> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>> >> > SEARCH the MAILING-LIST at:<br>> > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html<br>> >> <br>> >> _______________________________________________<br>> >> Wien mailing list<br>> >> Wien@zeus.theochem.tuwien.ac.at<br>> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>> >> SEARCH the MAILING-LIST at:<br>> > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html<br>> > <br>> > _______________________________________________<br>> > Wien mailing list<br>> > Wien@zeus.theochem.tuwien.ac.at<br>> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>> > SEARCH the MAILING-LIST at:<br>> > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html<br>> _______________________________________________<br>> Wien mailing list<br>> Wien@zeus.theochem.tuwien.ac.at<br>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>> SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html<br></div> </div></body>
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