[Pw_forum] problem with bands.x

Krishna chaitanya krishnachaitanya.gunturu at gmail.com
Thu Apr 4 11:32:09 CEST 2013


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.
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