[Wien] stop calculation

[Lyudmila Dobysheva]

27.04.2013 14:17, Karima Karim wrote:
> :ENERGY convergence:  0 0.0001 .0156607800000000
>      cycle 11 	(Wed Apr 24 04:14:39 CET 2013) 	(70/89 to go)
>>   lapw0 	(04:14:40) 34.1u 2.6s 31:18.12 1.9% 0+0k 842304+25464io 15350pf+0w
>>   lapw1  -up    	(04:46:15) 627.2u 27.9s 8:19:49.15 2.1% 0+0k 3012056+227880io 61324pf+0w
>>   lapw1  -dn    	(13:06:07) 618.6u 23.8s 7:51:18.86 2.2% 0+0k 1996088+227784io 39412pf+0w
>>   lapw2 -up   	(20:57:31) 71.6u 5.4s 58:22.89 2.1% 0+0k 1953208+15200io 604pf+0w
>>   lapw2 -dn   	(21:55:58) 71.7u 5.5s 1:00:00.58 2.1% 0+0k 1962848+15384io 710pf+0w
>>   lcore -up	(22:56:05) 0.1u 0.0s 0:09.19 2.1% 0+0k 12512+1016io 11pf+0w
>>   lcore -dn	(22:56:17) 0.1u 0.0s 0:18.40 1.1% 0+0k 9784+1224io 0pf+0w
>>   mixer 	(22:56:56) 1.7u 1.2s 3:13.21 1.5% 0+0k 190984+52896io 82pf+0w
> :ENERGY convergence:  0 0.0001 .0458957200000000
> :CHARGE convergence:  0 0.0000 .0195478
>      cycle 12 	(Wed Apr 24 23:00:17 CET 2013) 	(69/88 to go)
>>   lapw0 	(23:00:19) 34.0u 2.9s 35:14.01 1.7% 0+0k 1050904+24984io 19312pf+0w
>>   lapw1  -up    	(23:35:37) 624.2u 26.4s 8:12:26.27 2.2% 0+0k 2474176+227528io 46565pf+0w
>>   lapw1  -dn    	(07:48:10)
> in error file I found the error in /dnlapw1.error
> thise error :
>   Error in LAPW1

It looks like your last 12th iteration was simply stopped by some outer 
reason. Such error in dnlapw1.error means that calculation continues. 
And from the first 11th iterations it looks like normally going.
Very strange is the fact that loading of your computer is only 2-3 %. 
So, you have very slow calculation. Are there some other tasks in 
background?
I suggest you to solve, first, this problem (loading of computer should 
be 100 % or close), as then one "x lapw1 -up" will work 15 minutes 
instead of 8 hours.
After this, or maybe just now if you cannot solve the first, make from 
terminal "x lapw1 -dn" and check again if this stopped program works.

Best wishes,
   Lyudmila Dobysheva
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