[Wien] error cycle 2

Rocquefelte Xavier.Rocquefelte at cnrs-imn.fr
Mon Feb 27 17:05:22 CET 2012


With so few information we cannot help you. However, did you look at 
p.185 of the userguide?
It could help you to solve your problem (error in the input files, 
structure file ...).

regards

Xavier


On 02/27/2012 03:37 PM, Antônio Vanbderlei dos Santos wrote:
> Dear users I am with the following error. Can anyone help me.
>
>
>
>
>
> Calculating fecufe in /home/vandao/WIEN2k/vandao/fecufe
> on Fisica-Host-Wien2K with PID 1606
> using WIEN2k_10.1 (Release 7/6/2010) in /WIENROOT
>
>
>      start         (Fri Feb 24 15:55:08 BRST 2012) with lapw0 (40/99 to go)
>
>      cycle 1         (Fri Feb 24 15:55:08 BRST 2012)         (40/99 to go)
>
>>    lapw0         (15:55:08) 5.1u 0.1s 0:23.38 22.4% 0+0k 3208+2504io 18pf+0w
>>    lapw1  -c -up            (15:55:32) 71.4u 6.1s 0:45.79 169.6% 0+0k
> 8880+30432io 46pf+0w
>>    lapw1  -c -dn            (15:56:18) 63.1u 6.1s 0:18.91 366.4% 0+0k
> 0+29816io
> 0pf+0w
>>    lapw2 -c -up            (15:56:37) 14.4u 1.2s 0:04.70 334.2% 0+0k
> 240+1504io
> 2pf+0w
>>    lapw2 -c -dn            (15:56:41) 14.4u 1.3s 0:04.29 368.9% 0+0k
> 0+1496io
> 0pf+0w
>>    lcore -up        (15:56:46) 0.0u 0.0s 0:00.05 40.0% 0+0k 2208+344io
> 11pf+0w
>>    lcore -dn        (15:56:46) 0.0u 0.0s 0:00.02 100.0% 0+0k 0+344io 0pf+0w
>>    mixer         (15:56:46) 0.1u 0.0s 0:00.26 69.2% 0+0k 4088+5088io 22pf+0w
> :ENERGY convergence:  0 0.0001 0
> :CHARGE convergence:  0 0.0000 0
>
>      cycle 2         (Fri Feb 24 15:56:46 BRST 2012)         (39/98 to go)
>
>>    lapw0         (15:56:46) 5.0u 0.0s 0:05.13 100.1% 0+0k 0+2520io 0pf+0w
>>    lapw1  -up            (15:56:51) 0.0u 0.0s 0:00.06 16.6% 0+0k
> 3944+16io 19pf+0w
> error: command   /WIENROOT/lapw1 uplapw1.def   failed
>
>>    stop error
>
>
>
>
>
>
>
> thank you
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>



More information about the Wien mailing list