[Wien] Error in optimization
Roberto Iglesias
roberto.iglesias at psi.ch
Mon Jan 14 09:21:53 CET 2008
Dear all
I am running an optimization on a pretty simple system, pure bcc Cr. I use the optimize utility from w2web,
though I've also tried to initialize the optimization through x optimize. The calculation runs well for the
first mini cycle, but then crashes, showing in the dayfile:
> stop error
error: command /home/l_iglesias/WIEN2k/mini mini.def failed
> mini (08:58:24) 0.001u 0.002s 0:00.13 0.0% 0+0k 0+0io 8pf+0w
> stop
In STDOUT:
ERROR status in k8000_vol__-5.0
mini 0804AE11 Unknown Unknown Unknown
libc.so.6 00911DE3 Unknown Unknown Unknown
mini 0804AED5 Unknown Unknown Unknown
mini 0805B923 Unknown Unknown Unknown
mini 08050BBD Unknown Unknown Unknown
mini 08146AAC Unknown Unknown Unknown
mini 0812E86E Unknown Unknown Unknown
mini 0812EB3E Unknown Unknown Unknown
mini 0815B3C5 Unknown Unknown Unknown
mini 08185841 Unknown Unknown Unknown
mini 0818716E Unknown Unknown Unknown
Image PC Routine Line Source
forrtl: severe (24): end-of-file during read, unit 15, file
/home/l_iglesias/WIEN2k/roberto/tests/bccAFCr_2at/optimize/k8000/k8000.finM
> stop
I checked the k8000.finM file and it only shows a number in the first line:
-4203.567940
which is exactly the total energy in the last iteration.
I tried to check the archives in the mailing list, but did not find anything. I'm running the latest Wien2k
version, WIEN2k_08.1 (Release 14/12/2007).
Any suggestions are welcome!
Thanks in advance
Roberto
--
------------------------------------------
Roberto Iglesias
High Temperature Materials Project
Laboratory for Materials Behaviour
Nuclear Energy and Safety Department
OHLD/013
PAUL SCHERRER INSTITUT
CH-5232 Villigen PSI
phone: +41 (0)56 310 54 81
fax: +41 (0)56 310 35 65
e-mail: roberto.iglesias at psi.ch
Internet: www.psi.ch
-----------------------------------------
More information about the Wien
mailing list