[Wien] lapw2 error

Anurag Chaudhry anuragchaudhry at yahoo.co.uk
Sat Dec 6 07:10:37 CET 2008


Hello,

I trying to learn WIEN2k and have run the examples of TiC and FCC Ni successfully.  But for another system of interest to me I get the error message which says --
============================from .dayfile==============
start 	(Fri Dec  5 21:52:47 PST 2008) with lapw0 (40/99 to go)

    cycle 1 	(Fri Dec  5 21:52:47 PST 2008) 	(40/99 to go)

>   lapw0 -p	(21:52:47) starting parallel lapw0 at Fri Dec  5 21:52:47 PST 2008
--------
running lapw0 in single mode
37.079u 9.597s 0:46.92 99.4%	0+0k 0+10io 0pf+0w
>   lapw1  -up -p  	(21:53:34) starting parallel lapw1 at Fri Dec  5 21:53:35 PST 2008
->  starting parallel LAPW1 jobs at Fri Dec  5 21:53:35 PST 2008
running LAPW1 in parallel mode (using .machines)
2 number_of_parallel_jobs
     localhost(4) 160.358u 2.875s 2:46.86 97.8%	0+0k 0+15io 0pf+0w
     localhost(4) 155.426u 2.762s 2:43.65 96.6%	0+0k 0+9io 0pf+0w
   Summary of lapw1para:
   localhost	 k=8	 user=315.784	 wallclock=330.51
316.162u 6.220s 2:48.70 191.0%	0+0k 0+38io 7pf+0w
>   lapw1  -dn -p  	(21:56:23) starting parallel lapw1 at Fri Dec  5 21:56:23 PST 2008
->  starting parallel LAPW1 jobs at Fri Dec  5 21:56:23 PST 2008
running LAPW1 in parallel mode (using .machines.help)
2 number_of_parallel_jobs
     localhost(4) 156.918u 2.817s 2:44.36 97.1%	0+0k 0+10io 0pf+0w
     localhost(4) 154.626u 2.792s 2:43.02 96.5%	0+0k 0+24io 0pf+0w
   Summary of lapw1para:
   localhost	 k=8	 user=311.544	 wallclock=327.38
311.912u 6.173s 2:45.66 192.0%	0+0k 0+49io 0pf+0w
>   lapw2 -up -p 	(21:59:09) running LAPW2 in parallel mode
**  LAPW2 crashed!
0.873u 0.456s 0:03.72 35.4%	0+0k 0+26io 1pf+0w
error: command   /Users/anurag/WIEN2K/lapw2para -up uplapw2.def   failed

>   stop error

=========================
I do not know the source of this error since examples of TiC and FCC Ni ran successfully.  The input structure file is attached with this mail.
The code is compiled on a Intel Core 2 Duo Macbook running OS X 10.5.5 with Intel Fortran 10.0 compilers.
Can anyone please suggest a solution to this issue ?
Thanks and regards,
Anurag


      
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