[Pw_forum] Error forrtl: severe (24): end-of-file during read, unit 27, file /h/f/Q/pwscf.update
Madhurya Chandel
madhurya.svnit at gmail.com
Tue Sep 12 12:55:13 CEST 2017
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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