[Pw_forum] Help!

[Aurab]

Hi,
Segmentation fault indicates dynamic memory overflow. May be for Al,
pseudopotentials are larger and it created large matrices that the system
you are using was unable to handle. Are you running in parallel? Try using
specific parallelisation parameters  -npool <no. of pools> -ndiag <no. of
processors for diagonalizations> etc.

See the Parallelism chapter of  QE user guide for detailed instructions.

Many regards,
Aurab

On 16 November 2010 05:58, Suman Dhayal <ssdhayal at gmail.com> wrote:

> hi,
>
> I configured and compiled the code but when I run example01, it runs for Si
> but not for Al. It gives me a segmentation fault error and then says exit
> status as follows:
>
> This example shows how to use pw.x to calculate the total energy and
> the band structure of four simple systems: Si, Al, Cu, Ni.
>
>   executables directory: /home/suman/Diff_folders/Diff_
> Codes/espresso-4.2.1/bin
>   pseudo directory:
> /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/espresso-4.2.1/pseudo
>   temporary directory:
> /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/Temp_data_file
>   checking that needed directories and files exist... done
>
>   running pw.x as:
> /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/bin/pw.x
>   running bands.x as:
> /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/bin/bands.x
>
>   cleaning
> /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/Temp_data_file... done
>   running the scf calculation for Si... done
>   running the band-structure calculation for Si... done
>   running the symmetry analysis for Si bands...Segmentation fault
>  done
>   cleaning
> /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/Temp_data_file... done
>   running the scf calculation for Al...Segmentation fault
> Error condition encountered during test: exit status = 139
> Aborting
>
> Thanks for the help,
>
> Harli
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*
Aurab D. Chakrabarty
Postgraduate Student (Research)
Room 2.22
The Lloyd Institute
School of Physics
Trinity College Dublin
Dublin 2
Ireland

Telephone: +353-1-896-8453
*=*=*=*=*=*=*=*=*=*=*=*=*=*=*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101118/cf67049c/attachment.htm