[Wien] error on SCF calculation

[rachida lamouri]

Dear all,
i'm not that good at programmation, i can't undestand what i get in the file (SRC_lapw1/compile.msg) 
this is the file SRC_lapw1/compile.msg :


Date: Wed, 20 May 2015 10:11:37 -0600
From: gsabo at crimson.ua.edu
To: wien at zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] error on SCF calculation


  
    
  
  
    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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