[Wien] Problem with SuperCell

[vandao at urisan.tche.br]

--------------------------- Mensagem Original ----------------------------
Assunto: manda isso para os caras do wien
De:      "Tiago Mumbach" <tiagomumbach at gmail.com>
Data:    Sex, Outubro 14, 2011 10:31 am
Para:    vandao at urisan.tche.br
--------------------------------------------------------------------------

Problem with SuperCell

Hello, I am using Wien2k to try calculate a super cell of 16 atoms.
But I have some problems, no error is shown, but the calculation does not
run.

see bellow!

>   lapw2 -c -up        (09:04:25) >   lapw1  -c -dn            (09:02:48)
94.3u
2.8s 1:37.26 99.9% 0+0k 0+168632io 0pf+0w
>   lapw1  -c -up       (09:01:11) 94.1u 2.6s 1:36.80 99.9% 0+0k 0+170968io
0pf+0w
>   lapw0       (09:00:30) 39.4u 0.8s 0:40.28 100.0% 0+0k 0+36712io 0pf+0w

   cycle 1     (Thu Oct 13 09:00:30 BRT 2011)  (40/99 to go)

   start       (Thu Oct 13 09:00:30 BRT 2011) with lapw0 (40/99 to go)


using WIEN2k_10.1 (Release 7/6/2010) in /WIENROOT
on Fisica-Host-Wien2K with PID 9421
Calculating fecocluster in /home/vandao/WIEN2k/vandao/fecocluster

The calculation is stopped at this stage. what can be happening?
some dependency? my structure? or something else?
sorry for my english!

regards

Antonio Vanderlei!
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