[Wien] Problem with wien2k 11

[Peter Blaha]

You have to read the mailing list and search it for such problems.
It was addressed several time recently:

Most likely (unless you do something else wrong) it is the version of ifort.
As far as we know, the last stable release is: composerxe-2011.3.174

More recent versions are all more or less wrong when using the mkl.

Am 28.06.2012 16:42, schrieb Jameson Maibam:
> 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/ZrO2
> on 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 END
> forrtl: 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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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671