[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
==================================================
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