[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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