[Pw_forum] problem with bands.x

[Bramha Pandey]

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.
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