[Wien] error in scf run

Oliver Albertini ora at georgetown.edu
Wed Apr 24 20:47:08 CEST 2013


That actually looks OK. the hup statement is not a problem:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-April/014484.html


On Wed, Apr 24, 2013 at 2:42 AM, wasim raja Mondal
<wasimr.mondal at gmail.com>wrote:

> Dear wien2k expert,
>
> I have installed wien2k version 12.1 in ubuntu system succesfully  with no
> error in compilation.
> I am running TiC example. I am getting this error in scf running.
>
> hup: Command not found.
>  LAPW0 END
>  LAPW1 END
>  LAPW2 END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 2    ETEST: 0   CTEST: 0
> hup: Command not found.
>  LAPW0 END
>  LAPW1 END
>  LAPW2 END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 3    ETEST: 0   CTEST: 0
> hup: Command not found.
>  LAPW0 END
>  LAPW1 END
>  LAPW2 END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 4    ETEST: .1092254750000000   CTEST: .4629260
> hup: Command not found.
>  LAPW0 END
>  LAPW1 END
>  LAPW2 END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 5    ETEST: .0816757200000000   CTEST: .1775404
> hup: Command not found.
>  LAPW0 END
>  LAPW1 END
>  LAPW2 END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 6    ETEST: .0194563700000000   CTEST: .1804727
> hup: Command not found.
>  LAPW0 END
>  LAPW1 END
>  LAPW2 END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 7    ETEST: .0026946250000000   CTEST: .0759627
> hup: Command not found.
>  LAPW0 END
>  LAPW1 END
>  LAPW2 END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 8    ETEST: .0030816400000000   CTEST: .0208062
> hup: Command not found.
>  LAPW0 END
>  LAPW1 END
>  LAPW2 END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 9    ETEST: .0003383600000000   CTEST: .0072849
> hup: Command not found.
>  LAPW0 END
>  LAPW1 END
>  LAPW2 END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 1 1 1
>
> >   stop
>
>
> regards
> wasim
>
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