The update is not yet on the web. (next release). I attach main.f, where the proper initialization of norigs=0 fixes the problem.
Oleg Rubel schrieb: > Dear Laurence, > > thank you for the reply. I downloaded the most recent version of pairhess and > compared to that I used with 'diff' command. I did not find any differences > except for the compiler options. Anyway, I recompiled the just downloaded > pairhess with the options suggested and tried it. The error persists: -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ -------------------------------------------------------------------------- -------------- next part -------------- A non-text attachment was scrubbed... Name: main.f Type: text/x-fortran Size: 21720 bytes Desc: not available URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20091209/0083cc09/attachment.f>