[Wien] Interpretation of an mBJ output

Osama Yassin oyassin63 at gmail.com
Thu Jul 14 15:02:23 CEST 2011


Dear Wien2k-users,,

When performing mBJ calculations, Wien2k 11.1, we noted that it gives
two different prints at two different iteration as shown belwo.
This is not seen when we were using V. 10. Can you please give
comments on this behavior.

Best regards...  O A Yassin
===============================================================================================
:CHARGE convergence:  0 0.0000 .5337207
:ENERGY convergence:  0 0.0001 .4766903300000000
>   mixer_vresp	(15:45:34) 1.308u 1.352s 0:02.69 98.5%	0+0k 0+47544io 0pf+0w
>   mixer 	(15:45:31) 2.056u 1.452s 0:03.56 98.3%	0+0k 0+67480io 0pf+0w
>   lcore -dn	(15:45:30) 0.152u 0.060s 0:00.16 131.2%	0+0k 0+864io 0pf+0w
>   lcore -up	(15:45:30) 0.184u 0.052s 0:00.24 95.8%	0+0k 0+864io 0pf+0w
>   lapw2 -c -dn   -vresp 	(15:45:09) 18.497u 2.020s 0:20.57 99.7%	0+0k 0+34624io 0pf+0w
>   lapw2 -c -up   -vresp 	(15:44:48) 18.925u 2.064s 0:21.20 98.9%	0+0k 0+34632io 0pf+0w
>   lapw1  -c -dn    	(15:43:07) 94.445u 5.628s 1:40.52 99.5%	0+0k 0+103440io 0pf+0w
>   lapw1  -c -up    	(15:41:26) 94.181u 5.860s 1:40.44 99.6%	0+0k 0+105944io 0pf+0w
>   lapw0 	(15:40:49) 33.326u 2.972s 0:37.06 97.9%	0+0k 0+108912io 0pf+0w
>   lapw0 -grr 	(15:40:27) 18.953u 3.040s 0:22.05 99.7%	0+0k 0+108936io 0pf+0w

    cycle 4 	(Thu Jul 14 15:40:27 AST 2011) 	(97/96 to go)

:CHARGE convergence:  0 0.0000 .4957748
:ENERGY convergence:  0 0.0001 .5908737900000000
>   mixer_vresp	(15:40:24) 1.184u 1.316s 0:02.45 101.6%	0+0k 0+47544io 0pf+0w
>   mixer 	(15:40:20) 1.844u 1.460s 0:03.47 95.1%	0+0k 0+67480io 0pf+0w
>   lcore -dn	(15:40:20) 0.204u 0.036s 0:00.23 100.0%	0+0k 0+864io 0pf+0w
>   lcore -up	(15:40:19) 0.156u 0.052s 0:00.20 100.0%	0+0k 0+864io 0pf+0w
>   lapw2 -c -dn   -vresp 	(15:39:59) 18.621u 1.900s 0:20.57 99.7%	0+0k 0+34624io 0pf+0w
>   lapw2 -c -up   -vresp 	(15:39:37) 19.081u 2.164s 0:21.37 99.3%	0+0k 0+34632io 0pf+0w
>   lapw1  -c -dn    	(15:37:59) 91.997u 5.588s 1:37.83 99.7%	0+0k 0+103760io 0pf+0w
>   lapw1  -c -up    	(15:36:19) 94.085u 5.672s 1:40.02 99.7%	0+0k 0+105312io 0pf+0w
33.722u 2.936s 0:36.89 99.3%	0+0k 0+108944io 0pf+0w
 -1.027287750971506E-004
  9.453461247424181E-005  1.045039743809566E-003 tauwrong=
 int:rho,tauw,grho,g2rho  1.944882550473898E-003  1.148757408702842E-006
 -1.045029493463364E-004
  9.452237291241735E-005  1.044991538757838E-003 tauwrong=
 int:rho,tauw,grho,g2rho  1.944755267677064E-003  1.148535130549612E-006
 -1.022755959877256E-004
  9.453706911280979E-005  1.045048330122893E-003 tauwrong=
 int:rho,tauw,grho,g2rho  1.944913306634224E-003  1.148798947227444E-006
 -1.117632940109423E-004
  9.440547629152673E-005  1.044739085943851E-003 tauwrong=
>   lapw0 	(15:35:42)  int:rho,tauw,grho,g2rho  1.944224367629810E-003  1.146008930632714E-006
>   lapw0 -grr 	(15:35:18) 19.961u 3.176s 0:23.22 99.6%	0+0k 0+108928io 0pf+0w
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