[Wien] Segmentation fault in pairhess with constrains / Thank you

[Oleg Rubel]

Dear Peter and Laurence,

thanks a lot for the help. I replaced main.f, and now pairhess works perfectly.

Oleg

>>> Peter Blaha <pblaha at theochem.tuwien.ac.at> 12/09/09 2:41 AM >>>
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:


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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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