What version of Wien2k are you using (cat $WIENROOT/VERSION)? It is recommended to use 12.1. It includes a fix to SRC_optic/rint.f, which seems related to your problem:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-June/014888.html Version 12.1 also includes another fix in SRC_optic/planew.frc as mentioned in the update list (http://www.wien2k.at/reg_user/updates/). On 11/4/2012 5:48 AM, AJAY SINGH VERMA wrote: > hello Blaha sir and all wien users, > Can anybody tell me the reason for the following error and how to > solve that...(error while running x optic) > emin,emax,nbvalmax -5.00000000000000 3.00000000000000 9999 > creating ust > kmin,kmax -12 -12 -24 12 12 > 24 > forrtl: severe (174): SIGSEGV, segmentation fault occurred > Image PC Routine Line Source > opticc 08068397 planew_ 164 planew_tmp.f > opticc 08076220 mom_mat_ 588 sph-UP_tmp.f > opticc 08062476 MAIN__ 447 opmain.f > opticc 0804A1E4 Unknown Unknown Unknown > libc.so.6 4008CCE7 Unknown Unknown Unknown > opticc 0804A0F1 Unknown Unknown Unknown > 206.2u 2.0s 3:28.38 99.9% 0+0k 2136+88824io 10pf+0w > error: command /home/sheetal/wien/opticc optic.def failed > > > Thanks and regards > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121104/e589a78a/attachment.htm>