Re: [Wien] hup: command not found and invalid command

Thu, 31 Jul 2014 01:53:48 -0700 

"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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