[Wien] Problem Regarding SLATER Calculations

Gavin Abo gsabo at crimson.ua.edu
Thu Jun 29 14:04:37 CEST 2017 

Using WIEN2k 16.1 with the x_lapw.patch [1]?  If not, perhaps try the 
patch and see if the Unmatched error goes away or not.

[1] https://github.com/gsabo/WIEN2k-Patches/tree/master/16.1

On 6/29/2017 1:41 AM, tran at theochem.tuwien.ac.at wrote:
> 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
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> SEARCH the MAILING-LIST at: 
>> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>>
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