[Wien] hup: command not found and invalid command

Gavin Abo gsabo at crimson.ua.edu
Thu Jul 31 08:52:51 UTC 2014


"hup: Command not found" is not a problem:

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg06444.html

"Invalid null command" might be due to a problem with csh, maybe it is 
using an exotic version:

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg00132.html

On 7/31/2014 2:15 AM, kevin chester wrote:
> Dear wien2k users,
>
> I installed a wien2k version 10 on a Ubuntu 12.04 LTS using Ifort and 
> MKL non-commercial. There was no error during compilation. But during 
> the initialize calculations an invalid null command appears
>
> #using the  x nn
> Invalid null command.
>   specify nn-bondlength factor: (usually=2) [and optionally dlimit (about 1.d-5)]
>   DSTMAX:   20.0000000000000
>
>      ATOM  1  Ti         ATOM  2  C
>   RMT(  1)=2.09000 AND RMT(  2)=1.85000
>   SUMS TO 3.94000  LT.  NN-DIST= 4.08937
>
>      ATOM  2  C          ATOM  1  Ti
>   RMT(  2)=1.85000 AND RMT(  1)=2.09000
>   SUMS TO 3.94000  LT.  NN-DIST= 4.08937
> NN ENDS
> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+32io 0pf+0w
>
> #using the x sgroup
> Commandline:*x sgroup*
>
> Program input is:*""*
>
>
>
>
>
> Invalid null command.
> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+8io 0pf+0w
>
>
> #also in the SCF cycle
> hup: Command not found.
> Invalid null command.
>   LAPW0 END
> Invalid null command.
>   LAPW1 END
> Invalid null command.
>   LAPW2 END
> Invalid null command.
>   CORE  END
> Invalid null command.
>   MIXER END
> ec cc and fc_conv 0 0 1
> in cycle 2    ETEST: .1630659300000000   CTEST: .9223692
> hup: Command not found.
> Invalid null command.
>   LAPW0 END
> Invalid null command.
>   LAPW1 END
> Invalid null command.
>   LAPW2 END
> Invalid null command.
>   CORE  END
> Invalid null command.
>   MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 3    ETEST: .0815329700000000   CTEST: -.0004331
> hup: Command not found.
> Invalid null command.
>   LAPW0 END
> Invalid null command.
>   LAPW1 END
> Invalid null command.
>   LAPW2 END
> Invalid null command.
>   CORE  END
> Invalid null command.
>   MIXER END
> ec cc and fc_conv 0 1 1
> in cycle 4    ETEST: .0815509450000000   CTEST: -.0004820
> hup: Command not found.
> Invalid null command.
>   LAPW0 END
> Invalid null command.
>   LAPW1 END
> Invalid null command.
>   LAPW2 END
> Invalid null command.
>   CORE  END
> Invalid null command.
>   MIXER END
> ec cc and fc_conv 1 1 1
>
> >   stop

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