[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