Hi,<br>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.<br>
<br>See the Parallelism chapter of QE user guide for detailed instructions.<br><br>Many regards,<br>Aurab <br><br><div class="gmail_quote">On 16 November 2010 05:58, Suman Dhayal <span dir="ltr"><<a href="mailto:ssdhayal@gmail.com">ssdhayal@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">hi,<br><br>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:<br>
<br>This example shows how to use pw.x to calculate the total energy and<br>
the band structure of four simple systems: Si, Al, Cu, Ni.<br><br> executables directory: /home/suman/Diff_folders/Diff_<div>Codes/espresso-4.2.1/bin<br>
pseudo directory: /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/espresso-4.2.1/pseudo<br> temporary directory: /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/Temp_data_file<br> checking that needed directories and files exist... done<br>
<br> running pw.x as: /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/bin/pw.x <br> running bands.x as: /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/bin/bands.x <br><br> cleaning /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/Temp_data_file... done<br>
running the scf calculation for Si... done<br> running the band-structure calculation for Si... done<br> running the symmetry analysis for Si bands...Segmentation fault<br> done<br> cleaning /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/Temp_data_file... done<br>
running the scf calculation for Al...Segmentation fault<br>Error condition encountered during test: exit status = 139<br>Aborting</div><br>Thanks for the help,<br><br>Harli<br>
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<br></blockquote></div><br><br clear="all"><br>-- <br>=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*<br>Aurab D. Chakrabarty<br>Postgraduate Student (Research)<br>Room 2.22<br>The Lloyd Institute<br>School of Physics<br>Trinity College Dublin<br>
Dublin 2<br>Ireland<br><br>Telephone: +353-1-896-8453<br>*=*=*=*=*=*=*=*=*=*=*=*=*=*=*<br>