[Pw_forum] Error forrtl: severe (24): end-of-file during read, unit 27, file /h/f/Q/pwscf.update

[Paolo Giannozzi]

I have run your job and cannot reproduce your problem

On Tue, Sep 12, 2017 at 12:55 PM, Madhurya Chandel <madhurya.svnit at gmail.com
> wrote:

> Respected Sir,
>
> One more thing I am still not able to get the solution of the error
>
>  forrtl: severe (24): end-of-file during read, unit 27, file
> /home/f2013877/QE/Madhurya/pwscf.update
> Image              PC                Routine            Line        Source
> pw.x               0000000000B8E509  Unknown               Unknown  Unknown
> pw.x               0000000000BC68CD  Unknown               Unknown  Unknown
> pw.x               0000000000BC492E  Unknown               Unknown  Unknown
> pw.x               000000000044061C  extrapolation_mp_          63
> update_pot.f90
> pw.x               000000000040679A  run_pwscf_                146
> run_pwscf.f90
> pw.x               00000000004064A5  MAIN__                     30
> pwscf.f90
> pw.x               000000000040641E  Unknown               Unknown  Unknown
> libc.so.6          00007FF3CA052B15  Unknown               Unknown  Unknown
> pw.x               0000000000406329  Unknown               Unknown  Unknown
>
>
> Why this "pwscf.update" file is generating after getting incomplete output
> file along with above mention error?
>
> Thanking you
>
> With regards
> Madhurya
> Research scholar
> BITS Pilani Goa Campus (INDIA)
>
>
>
> On Tue, Sep 12, 2017 at 4:16 PM, Madhurya Chandel <
> madhurya.svnit at gmail.com> wrote:
>
>> Respected Sir,
>>
>> As you said in the previous mail that due to Fe-O and O-O distance my
>> molecule will not converge.
>> 1) So to make it converge what are the changes I have to do?
>> 2) How will it affect the molecule converge? Is there any relation
>> between distance and converge?
>>
>> Please help me to clear these point.
>>
>> Thanking you
>>
>> With regards
>> Madhurya
>> Research scholar
>> BITS Pilani Goa Campus (INDIA)
>>
>>
>> On Mon, Sep 11, 2017 at 12:19 PM, Paolo Giannozzi <p.giannozzi at gmail.com>
>> wrote:
>>
>>> On Sun, Sep 10, 2017 at 4:05 PM, Madhurya Chandel <
>>> madhurya.svnit at gmail.com> wrote:
>>>
>>>
>>>>   From where did you get this (*your input has Fe-O distance 0.17 A,
>>>> O-O distance 0.28 A*)?
>>>>
>>>
>>> from auxiliary code "dist.x", distributed with QE
>>>
>>>
>>>> How this is creating the problem in my calculation?
>>>>
>>>
>>> it will not converge
>>>
>>> --
>>> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
>>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>>> <https://maps.google.com/?q=Udine,+via+delle+Scienze+208,+33100+Udine,+Italy&entry=gmail&source=g>
>>> Phone +39-0432-558216 <+39%200432%20558216>, fax +39-0432-558222
>>> <+39%200432%20558222>
>>>
>>>
>>
>>
>> --
>>
>> *Madhurya Chandel*
>>
>> *Research Scholar *
>>
>> *Department of Chemistry *
>>
>> *BITS PILANI, GOA campus*
>>
>> *+91-7507546773 <+91%2075075%2046773>*
>>
>
>
>
> --
>
> *Madhurya Chandel*
>
> *Research Scholar *
>
> *Department of Chemistry *
>
> *BITS PILANI, GOA campus*
>
> *+91-7507546773 <+91%2075075%2046773>*
>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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