[Wien] Problem with wien2k 11

Jameson Maibam j.maibam_official at yahoo.com
Thu Jun 28 16:42:26 CEST 2012


Dear Prof. Blaha,
I have installed wien2k11 in my dell core2duo laptop with composer xe 11 update 9 (l_fcompxe_intel64_2011.11.339_1). I can sucessfully run TiC, VC, ScC and similar compounds in fcc structure. But when I tried to calculate ZrO2 in monoclinic structure I got the following error:ZrO2 problem
Calculating ZrO2 in /home/james/ZrO2on localhost.localdomain with PID 8700
using WIEN2k_11.1 (Release 14/6/2011) in /home/james/wien2k
start       (Thu Jun 28 14:24:27 IST 2012) with lapw0 (40/99 to go)
cycle 1     (Thu Jun 28 14:24:27 IST 2012)  (40/99 to go)
>   lapw0       (14:24:27) 5.979u 0.380s 0:06.37 99.6%  0+0k 0+6320io 0pf+0w
>   lapw1       (14:24:34) Abort (core dumped)
2.369u 0.289s 0:03.73 70.7%     0+0k 1688+5168io 9pf+0w
error: command   /home/james/wien2k/lapw1 lapw1.def   failed
>   stop error
In another case I installed wien2k11 in my hp corei3 with composer xe 11.9.2011. In this case even TiC is unable to run. The following message came:
LAPW0 ENDforrtl: severe (174): SIGSEGV, segmentation fault occurred>   stop error
Please help me to get me out of these problems.

Yours sincerely
Jameson Maibam
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