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 > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- Peter Blaha Inst.Materials Chemistry TU Vienna Getreidemarkt 9 A-1060 Vienna Austria +43-1-5880115671