[Pw_forum] warning message about matdyn.x

Stefano de Gironcoli degironc at sissa.it
Thu Oct 11 08:36:03 CEST 2012


NaN  is  Not a Number ... tipicaly the result of a division by zero or 
some other illegal operations...
signals that something went wrong in the calculation
what went wrong is hard to say

stefano


On 10/10/2012 08:17 PM, Chengyang Li wrote:
> I'm confused what is NaN's, it doesn't contain ********.
>
> Chengyang
>
> ----- Original Message -----
>> From: "Paolo Giannozzi" <giannozz at democritos.it>
>> To: "PWSCF Forum" <pw_forum at pwscf.org>
>> Sent: Wednesday, October 10, 2012 1:03:26 PM
>> Subject: Re: [Pw_forum] warning message about matdyn.x
>> On Oct 10, 2012, at 18:09 , Chengyang Li wrote:
>>
>>>       At line 658 of file matdyn.f90 (unit = 1, file = 'cr04.fc')
>>>        Fortran runtime error: Bad real number in item 8 of list input
>>>
>>>       Does anyone have hint about this problem?
>> Have a look into file cr04.fc: it contains NaN's, or ********
>>
>> P.
>> ---
>> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
>>
>>
>>
>>
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