[Wien] troubles in LAPW1

Sergio L. Palacios sergio at pinon.ccu.uniovi.es
Thu Jul 10 10:34:48 CEST 2003


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
==================================================
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20030710/76ad6826/attachment.html


More information about the Wien mailing list