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

[Madhurya Chandel]

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, fax +39-0432-558222
>>
>>
>
>
> --
>
> *Madhurya Chandel*
>
> *Research Scholar *
>
> *Department of Chemistry *
>
> *BITS PILANI, GOA campus*
>
> *+91-7507546773*
>



-- 

*Madhurya Chandel*

*Research Scholar *

*Department of Chemistry *

*BITS PILANI, GOA campus*

*+91-7507546773*
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