[Pw_forum] Help!

Suman Dhayal ssdhayal at gmail.com
Tue Nov 16 06:58:25 CET 2010


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
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