[Wien] Problem Regarding SLATER Calculations

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Thu Jun 29 09:41:14 CEST 2017 

The Slater potential is not calculated because the HF module is not
executed. This is probably because of Unmatched " which I don't yet
understand where it comes from. A few questions:
Which solid are you considering?
What is exactly the command that you used to start the calculation?
What is the name of the directory?


On Wednesday 2017-06-28 22:02, apande at iitk.ac.in wrote:

>Date: Wed, 28 Jun 2017 22:02:38
>From: apande at iitk.ac.in
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: Re: [Wien] Problem Regarding SLATER Calculations
>
> The STDOUT
>
>
>
>
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW0 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> STOP  LAPW2 END
> Unmatched ".
> STOP  LAPW2 END
> Unmatched ".
> STOP  CORE  END
> STOP  CORE  END
> STOP  MIXER END
> in cycle 2    ETEST: 0   CTEST: 0
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW0 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> STOP  LAPW2 END
> Unmatched ".
> STOP  LAPW2 END
> Unmatched ".
> STOP  CORE  END
> STOP  CORE  END
> STOP  MIXER END
> in cycle 3    ETEST: 0   CTEST: 0
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW0 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> STOP  LAPW2 END
> Unmatched ".
> STOP  LAPW2 END
> Unmatched ".
> STOP  CORE  END
> STOP  CORE  END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  MIXER END
> in cycle 4    ETEST: .0250397800000000   CTEST: .182651
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW0 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> STOP  LAPW2 END
> Unmatched ".
> STOP  LAPW2 END
> Unmatched ".
> STOP  CORE  END
> STOP  CORE  END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  MIXER END
> in cycle 5    ETEST: .0810430350000000   CTEST: .089823
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW0 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> STOP  LAPW2 END
> Unmatched ".
> STOP  LAPW2 END
> Unmatched ".
> STOP  CORE  END
> STOP  CORE  END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  MIXER END
> in cycle 6    ETEST: .0510568100000000   CTEST: .018457
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW0 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> STOP  LAPW2 END
> Unmatched ".
> STOP  LAPW2 END
> Unmatched ".
> STOP  CORE  END
> STOP  CORE  END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  MIXER END
> in cycle 7    ETEST: .0130647000000000   CTEST: .002347
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW0 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> STOP  LAPW2 END
> Unmatched ".
> STOP  LAPW2 END
> Unmatched ".
> STOP  CORE  END
> STOP  CORE  END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  MIXER END
> in cycle 8    ETEST: .0025926650000000   CTEST: .000702
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW0 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> STOP  LAPW2 END
> Unmatched ".
> STOP  LAPW2 END
> Unmatched ".
> STOP  CORE  END
> STOP  CORE  END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  MIXER END
> in cycle 9    ETEST: .0004367400000000   CTEST: .000028
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW0 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> STOP  LAPW2 END
> Unmatched ".
> STOP  LAPW2 END
> Unmatched ".
> STOP  CORE  END
> STOP  CORE  END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  MIXER END
> in cycle 10    ETEST: .0001005450000000   CTEST: .000016
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW0 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  LAPW1 END
> STOP  LAPW2 END
> Unmatched ".
> STOP  LAPW2 END
> Unmatched ".
> STOP  CORE  END
> STOP  CORE  END
> Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP  MIXER END
>
>>   stop
>
> With regards
> Aditya Pande
>
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