[Wien] Error in OPTIC

[Gavin Abo]

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
>
>
>
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