Dear Matteo,<br><br>Thank you for the quick response. Hmmmm, I want to run the XSpectra example which I did once but it did not run and aborted in between. So I went back to example01 as xspectra uses the output of 'pw.x' and 'gipaw.x'. So I got back to example01 and looked into the output files and I found that it's not run completely. The output files for Si are completely run but not for the Al, it stops in between only with the error message that I have posted here in the previous email. So the error message that I posted is from running example01 and not xspectra. And I have no idea, what may be wrong. So it would be very helpful if I could be guided a little over it. <br>
<br>Thanks a lot,<br><br>Harli<br><br><div class="gmail_quote">On Tue, Nov 16, 2010 at 2:09 AM, Matteo Calandra <span dir="ltr"><<a href="mailto:matteo.calandra@impmc.jussieu.fr">matteo.calandra@impmc.jussieu.fr</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;">Dear Suman Dhayal,<br>
<br>
fro; the output of your script it seems to me that you are not running<br>
at all the XSpectra example but the general QE example.<br>
And the segmentation fault that you find has little do to with xspectrq<br>
but this is connected with the bands.x file.<br>
<br>
The XSpectra examples are in another directory.<br>
<br>
M.<br>
<br>
>><br>
>><br>
>><br>
><br>
> ------------------------------<br>
><br>
> Message: 8<br>
> Date: Mon, 15 Nov 2010 23:58:25 -0600<br>
> From: Suman Dhayal <<a href="mailto:ssdhayal@gmail.com">ssdhayal@gmail.com</a>><br>
> Subject: [Pw_forum] Help!<br>
> To: PWSCF Forum <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>
> Message-ID:<br>
> <<a href="mailto:AANLkTini_xSF1buwg3VFTufuGE8D%2BjM-si%2B7YaU39vKB@mail.gmail.com">AANLkTini_xSF1buwg3VFTufuGE8D+jM-si+7YaU39vKB@mail.gmail.com</a>><br>
> Content-Type: text/plain; charset="iso-8859-1"<br>
><br>
> hi,<br>
><br>
> I configured and compiled the code but when I run example01, it runs for Si<br>
> but not for Al. It gives me a segmentation fault error and then says exit<br>
> 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_<br>
> Codes/espresso-4.2.1/bin<br>
> pseudo directory:<br>
> /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/espresso-4.2.1/pseudo<br>
> temporary directory:<br>
> /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:<br>
> /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/bin/pw.x<br>
> running bands.x as:<br>
> /home/suman/Diff_folders/Diff_Codes/espresso-4.2.1/bin/bands.x<br>
><br>
> cleaning<br>
> /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<br>
> /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<br>
><br>
> Thanks for the help,<br>
><br>
> Harli<br>
> -------------- next part --------------<br>
> An HTML attachment was scrubbed...<br>
> URL: <a href="http://www.democritos.it/pipermail/pw_forum/attachments/20101115/0b3385a5/attachment.htm" target="_blank">http://www.democritos.it/pipermail/pw_forum/attachments/20101115/0b3385a5/attachment.htm</a><br>
><br>
> ------------------------------<br>
><br>
> _______________________________________________<br>
> Pw_forum mailing list<br>
> <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
> <a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
><br>
><br>
> End of Pw_forum Digest, Vol 41, Issue 28<br>
> ****************************************<br>
<br>
<br>
--<br>
* * * *<br>
Matteo Calandra, Charge de Recherche (CR1)<br>
Institut de Minéralogie et de Physique des Milieux Condensés de Paris<br>
Université Pierre et Marie Curie, tour 16, case 115<br>
4 Place Jussieu, 75252 Paris Cedex 05 France<br>
Tel: +33-1-44 27 52 16 Fax: +33-1-44 27 37 85<br>
<a href="http://www.impmc.jussieu.fr/%7Ecalandra" target="_blank">http://www.impmc.jussieu.fr/~calandra</a><br>
_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
</blockquote></div><br>