[Wien] mixer Abort

[Jorissen Kevin]

Is it, by any chance, an 'old' (ie, pre - 100 atom) calculation?  In that case you'd need to fix case.scf, or rename it.  If not, blame Stefaan, who seems to have intervened in your calculation ;-)
 
Kevin.
 
 
 

	-----Oorspronkelijk bericht----- 
	Van: Bing Zhou [mailto:umbingz at cc.UManitoba.CA] 
	Verzonden: za 3/20/2004 1:32 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] mixer Abort
	
	

	Dear all,
	
	My SCF crashed due to "mixer Abort" as shown in the case.dayfile below,
	could you please help me out? thank you in advance!
	
	Bing
	
	
	--------
	running lapw0 in single mode
	228.0u 0.0s 13:32 28% 0+0k 0+0io 0pf+0w
	>   lapw1  -p   (04:29:53) starting parallel lapw1 at Friday March 19
	04:29:53 C
	ST 2004 Mar 18 Stefaan Cottenier   (4166) Re: [Wien] rhombohedral
	structures in
	->  starting parallel LAPW1 jobs at Friday March 19 04:29:53 CST 2004
	running LAPW1 in parallel mode (using .machines)
	4 number_of_parallel_jobs
	     polaris(6) 6102.0u 14.0s 8:39:51 19% 0+0k 0+0io 0pf+0w
	     polaris(6) 6082.0u 15.0s 8:37:23 19% 0+0k 0+0io 0pf+0w
	     polaris(6) 6071.0u 15.0s 8:31:57 19% 0+0k 0+0io 0pf+0w
	     polaris(6) 6074.0u 15.0s 8:28:34 19% 0+0k 0+0io 0pf+0w
	   Summary of lapw1para:
	   polaris       k=0     user=0  wallclock=0
	24362.0u 93.0s 8:39:54 78% 0+0k 0+0io 0pf+0w
	>   lapw2 -p    (13:09:48) running LAPW2 in parallel mode
	      polaris 719.0u 19.0s 1:07:17 18% 0+0k 0+0io 0pf+0w
	      polaris 723.0u 18.0s 1:06:57 18% 0+0k 0+0io 0pf+0w
	      polaris 720.0u 18.0s 1:05:50 18% 0+0k 0+0io 0pf+0w
	      polaris 720.0u 19.0s 1:04:39 19% 0+0k 0+0io 0pf+0w
	   Summary of lapw2para:
	   polaris       user=0  wallclock=0
	2909.0u 78.0s 1:09:10 71% 0+0k 0+0io 0pf+0w
	>   lcore       (14:18:59) 1.0u 0.0s 0:05 16% 0+0k 0+0io 0pf+0w
	>   mixer       (14:19:06) Abort
	0.0u 0.0s 0:00 0% 0+0k 0+0io 0pf+0w
	
	>   stop error
	polaris:349>
	
	
	
	Bing Zhou
	Dept. of Geol. Sc.
	The Univ. of Manitoba
	Canada R3T 2N2
	Tel: (204)474-8395
	
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