[Wien] troubles in LAPW1

[Kevin Jorissen]

The same error twice, I'd say :
*your scratch-variable is not set (which is why you have problems with
vector files)
*the WIENROOT-directory /home/jabr/WIEN2K_03 is not included in your path
variable (do "echo $path" to check).

Seems your .cshrc is not executed when you log in to your machine?  This
file (or .bashrc if you use bash, etc.) should contain instructions like :
set scratch = /scratch
set WIENROOT = /home/jabr/WIEN2K_03
set path  = ($WIENROOT $path)

Are you sure you're in (t)csh ?  (Type "echo $shell" to find out).

Kevin.


----- Original Message -----
From: "Sergio L. Palacios" <sergio at pinon.ccu.uniovi.es>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Thursday, July 10, 2003 10:34 AM
Subject: [Wien] troubles in LAPW1


> 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
> ==================================================
>