[Pw_forum] problem with bands.x

[Krishna chaitanya]

Dear Pandey

Thank you for your post. I even tried to increase ecutwfc upto 50Ry and
nbnd=16 but failed and got the same error.


On Thu, Apr 4, 2013 at 9:36 PM, Bramha Pandey <pandey.bramha at gmail.com>wrote:

> You may be try with incresing the ecut cuoff  value in your input file, it
> may be around 18Ry and incresed it upto approx 35  Ry, if it works then see
> the reason for that increased value of this ecut cutoff.
>
>
> On Thu, Apr 4, 2013 at 3:49 PM, Krishna chaitanya <
> krishnachaitanya.gunturu at gmail.com> wrote:
>
>> Dear Prof.  Paolo Giannozzi
>>
>> My sincere apologies for the incomplete details about my issue. I am
>> using PWSCF version 5.0 compiled with intel fortran 12.1.6 version,
>> gfortran 4.7.2 and mpich 3.0.2 environment.
>>
>> When I am trying to do band structure calculation according to webpage  *
>> http://people.sissa.it/~degironc/QE-Tutorial/examples_pwscf_ex.tgz *I am
>> getting the following error for silicon case.
>>
>> *Program received signal SIGSEGV: Segmentation fault - invalid memory
>> reference.*
>> *
>> *
>> *Backtrace for this error:*
>> *#0  0x2B8949244F27*
>> *#1  0x2B89492454F4*
>> *#2  0x3D036302CF*
>> *#3  0x2B894A53B270*
>> *#4  0x2B894825748C*
>> *#5  0x2B89473DC47D*
>> *#6  0x411782 in cgracsc_ at cgracsc.f90:67*
>> *#7  0x4084D8 in punch_band_ at bands.f90:331*
>> *#8  0x40951E in do_bands at bands.f90:112*
>> *
>> *
>> *[1]+  Segmentation fault      ../bin/bands.x < bands.in > bands.out*
>>
>> Moreover nothing is written in bands.out and bands.dat files. I hope with
>> this information I will get solution for the above error.
>>
>>
>>
>> On Wed, Apr 3, 2013 at 6:49 PM, Paolo Giannozzi <paolo.giannozzi at uniud.it
>> > wrote:
>>
>>> On Wed, 2013-04-03 at 11:22 +0530, Krishna chaitanya wrote:
>>>
>>> > Please suggest me how to solve this problem.
>>>
>>> please see page http://www.quantum-espresso.org/?page_id=26
>>> section "Reporting Bugs". There is no way anybody can suggest
>>> anything without a clear explanation of which exact operations
>>> have been done, on which version of the code, etc. etc.
>>>
>>> P.
>>>
>>> --
>>>  Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>>>  Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>>>  Phone +39-0432-558216, fax +39-0432-558222
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>
>>
>>
>> --
>> With Best Regards
>>
>> Dr. G. Krishna Chaitanya
>> Assistant Professor
>> School of Chemical Sciences
>> SRTM University
>> Nanded-431 606
>> India.
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
>
> --
> Thanks and Regards
> Bramha Prasad Pandey
> Indian School of Mines(ISM)
> Dhanbad, INDIA.
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
With Best Regards

Dr. G. Krishna Chaitanya
Assistant Professor
School of Chemical Sciences
SRTM University
Nanded-431 606
India.
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