[Wien] lapwdm error in runsp_c_lapw -so -orb

inukai manabu publicadressinukai at yahoo.co.jp
Fri Nov 1 12:19:18 CET 2013


Dear users,

I have encountered an error, when I run a calculation with the following command:
---------------------------------
 runsp_c_lapw -so -orb -i 1 -NI
---------------------------------
 runsp_c_lapw -so -orbdu -i 1 -NI
---------------------------------


>   stop error

>   lapwdm -up  -so -c	(20:24:07) 0.013u 0.003s 0:00.01 100.0%	0+0k 0+32io 0pf+0w
293.138u 7.564s 1:32.55 324.8%	0+0k 0+18760io 0pf+0w
  0.416628272698630        1583.85827165264        1584.10827166790     
>   lapw2 -c -up -so   	(20:22:35)  WARNING: EF not accurate, new emin,emax,NE-min,NE-max  0.416628272687763     
>   lapwso -up -c -orb 	(20:17:07) 489.129u 23.690s 5:27.07 156.7%	0+0k 0+3635432io 0pf+0w
copy Cd6Yb.vectorup to Cd6Yb.vectordn
228.674u 12.790s 1:37.37 247.9%	0+0k 0+1364784io 0pf+0w
>   lapw1  -c -up   	(20:15:25)  IPASS set to 1 in lopw.f
>   lapw0 	(20:14:20) 64.412u 0.525s 1:05.15 99.6%	0+0k 0+29200io 0pf+0w

I use WIEN2k ver. 12 on CentOS 6 x86_64. 

Best Regards,
M. Inukai
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