[Wien] troubles in LAPW1

[Li Wang]

Sergio L. Palacios wrote:

> Dear Wien2K users,
>
> First of all, I am a novice using this software and my experience with 
> Linux is very poor.
> I am trying to execute the TiC example with the compiled version of 
> Wien2K (I have not been able to compile the program myself yet). The 
> program is installed in a directory called /home/jabr/WIEN2K_03.
> My first trouble is that if I try to create a new session in another 
> directory the execution stops at the beginning of the calculation 
> (even the symmetry operations are not generated). However, if my 
> session is included in the above directory (./WIEN2K_03) the 
> calculations run OK up to the SCF calculation. At this moment the 
> program stops again in LAPW1 with the following message:
>
> INILPW  can't open unit : 10
> INILPW  filename /WIEN2K_03.vector
> INILPW  status : unknown form : unformatted
> LAPW1   INILPW aborted unsuccessfully
>
> I have already seen this old error in the maling list corresponding to 
> several months ago but I can not understand the answers. When I type 
> the command "echo $SCRATCH" my computer responds with the message 
> "SCRATCH : undefined variable" so I type another command which is 
> "source .cshrc" and then the new response I get when I type "echo 
> $SCRATCH" is "/scratch".
>
> Why the program only works with sessions created in ./WIEN2K_03 ??
> How can I solve the program stop in LAPW1 ??
>
> I am really puzzled and I would be very acknowledged if someone could 
> help me with very simple explanations (which can be understood by 
> someone with very very poor experience in Linux).
>
> Please, excuse me if I am wasting your time.
>
> Regards,
>
> *==================================================*
> *Dr. Sergio L. Palacios*
> Profesor Titular de Física Aplicada (Associate Professor of Applied 
> Physics)
> Departamento de Física (Department of Physics)
> Facultad de Ciencias (College of Science)
> Universidad de Oviedo (University of Oviedo)
> Avda. Calvo Sotelo s/n
> C.P. 33007. Oviedo
> España (Spain)
> Teléfono (Phone): 34 + 98 5 10 28 48
> Fax: 34 + 98 5 10 33 24
> Correo electrónico (E-mail address):sergio at pinon.ccu.uniovi.es
> *==================================================*
>
It is seem that you have correct executation  environment.
1. PATH variable
     See if the PATH variable include the directory "/home/jabr/WIEN2K_03,
by using  the command " set |grep PATH "  .  
 2. SCRATCH variable
     It seems that you have no right to write to your defined SCRATCH 
directory.
The scractch directory should be an existed directory that can be 
written by you.

The simplest method is to run userconfig again.
Or you can manually manumidify your configuration file. (.bashrc for 
bash or .cshrc for csh).

Best

Li Wang