<div>Hello Sir,</div><div> I followed your words but now the error that I am getting is with iotk..the detail error message is as follow: </div><div><br></div><div>physics@intranet:~/espresso/espresso/PW/examples/example01$ ./run_example</div>
<div><br></div><div>/home/physics/espresso/espresso/PW/examples/example01 : starting</div><div><br></div><div>This example shows how to use pw.x to calculate the total energy and</div><div>the band structure of four simple systems: Si, Al, Cu, Ni.</div>
<div><br></div><div> executables directory: /home/physics/espresso/espresso/bin</div><div> pseudo directory: /home/physics/espresso/espresso/pseudo</div><div> temporary directory: /home/physics/tmp</div><div> checking that needed directories and files exist... done</div>
<div><br></div><div> running pw.x as: /home/physics/espresso/espresso/bin/pw.x -nband 1 -ntg 1 </div><div><br></div><div> cleaning /home/physics/tmp... done</div><div> running the scf calculation for Si... done</div>
<div> running the band-structure calculation for Si...########################################################################################################################</div><div># FROM IOTK LIBRARY, VERSION 1.2.0</div>
<div># UNRECOVERABLE ERROR (ierr=1)</div><div># ERROR IN: iotk_scan_end (iotk_scan.f90:241)</div><div># CVS Revision: 1.23 </div><div># foundl</div><div># ERROR IN: iotk_close_read (iotk_files.f90:746)</div><div># CVS Revision: 1.20 </div>
<div>########################################################################################################################</div><div> done</div><div> cleaning /home/physics/tmp... done</div><div> running the scf calculation for Al... done</div>
<div> running the band-structure calculation for Al...########################################################################################################################</div><div># FROM IOTK LIBRARY, VERSION 1.2.0</div>
<div># UNRECOVERABLE ERROR (ierr=1)</div><div># ERROR IN: iotk_scan_end (iotk_scan.f90:241)</div><div># CVS Revision: 1.23 </div><div># foundl</div><div># ERROR IN: iotk_close_read (iotk_files.f90:746)</div><div># CVS Revision: 1.20 </div>
<div>########################################################################################################################</div><div> done</div><div> cleaning /home/physics/tmp... done</div><div> running the scf calculation for Cu... done</div>
<div> running the band-structure calculation for Cu...########################################################################################################################</div><div># FROM IOTK LIBRARY, VERSION 1.2.0</div>
<div># UNRECOVERABLE ERROR (ierr=1)</div><div># ERROR IN: iotk_scan_end (iotk_scan.f90:241)</div><div># CVS Revision: 1.23 </div><div># foundl</div><div># ERROR IN: iotk_close_read (iotk_files.f90:746)</div><div># CVS Revision: 1.20 </div>
<div>########################################################################################################################</div><div> done</div><div> cleaning /home/physics/tmp... done</div><div> running the scf calculation for Ni... done</div>
<div> running the band-structure calculation for Ni...########################################################################################################################</div><div># FROM IOTK LIBRARY, VERSION 1.2.0</div>
<div># UNRECOVERABLE ERROR (ierr=1)</div><div># ERROR IN: iotk_scan_end (iotk_scan.f90:241)</div><div># CVS Revision: 1.23 </div><div># foundl</div><div># ERROR IN: iotk_close_read (iotk_files.f90:746)</div><div># CVS Revision: 1.20 </div>
<div>########################################################################################################################</div><div> done</div><div> cleaning /home/physics/tmp... done</div><div> running the scf calculation for Si... done</div>
<div> running the band-structure calculation for Si...########################################################################################################################</div><div># FROM IOTK LIBRARY, VERSION 1.2.0</div>
<div># UNRECOVERABLE ERROR (ierr=1)</div><div># ERROR IN: iotk_scan_end (iotk_scan.f90:241)</div><div># CVS Revision: 1.23 </div><div># foundl</div><div># ERROR IN: iotk_close_read (iotk_files.f90:746)</div><div># CVS Revision: 1.20 </div>
<div>########################################################################################################################</div><div> done</div><div> cleaning /home/physics/tmp... done</div><div> running the scf calculation for Al... done</div>
<div> running the band-structure calculation for Al...########################################################################################################################</div><div># FROM IOTK LIBRARY, VERSION 1.2.0</div>
<div># UNRECOVERABLE ERROR (ierr=1)</div><div># ERROR IN: iotk_scan_end (iotk_scan.f90:241)</div><div># CVS Revision: 1.23 </div><div># foundl</div><div># ERROR IN: iotk_close_read (iotk_files.f90:746)</div><div># CVS Revision: 1.20 </div>
<div>########################################################################################################################</div><div> done</div><div> cleaning /home/physics/tmp... done</div><div> running the scf calculation for Cu... done</div>
<div> running the band-structure calculation for Cu...########################################################################################################################</div><div># FROM IOTK LIBRARY, VERSION 1.2.0</div>
<div># UNRECOVERABLE ERROR (ierr=1)</div><div># ERROR IN: iotk_scan_end (iotk_scan.f90:241)</div><div># CVS Revision: 1.23 </div><div># foundl</div><div># ERROR IN: iotk_close_read (iotk_files.f90:746)</div><div># CVS Revision: 1.20 </div>
<div>########################################################################################################################</div><div> done</div><div> cleaning /home/physics/tmp... done</div><div> running the scf calculation for Ni... done</div>
<div> running the band-structure calculation for Ni...########################################################################################################################</div><div># FROM IOTK LIBRARY, VERSION 1.2.0</div>
<div># UNRECOVERABLE ERROR (ierr=1)</div><div># ERROR IN: iotk_scan_end (iotk_scan.f90:241)</div><div># CVS Revision: 1.23 </div><div># foundl</div><div># ERROR IN: iotk_close_read (iotk_files.f90:746)</div><div># CVS Revision: 1.20 </div>
<div>########################################################################################################################</div><div> done</div><div><br></div><div>/home/physics/espresso/espresso/PW/examples/example01 : done</div>
<div>physics@intranet:~/espresso/espresso/PW/examples/example01$ </div><div><br></div><br><div class="gmail_quote">On Sun, Dec 30, 2012 at 10:48 PM, Bramha Pandey <span dir="ltr"><<a href="mailto:pandey.bramha@gmail.com" target="_blank">pandey.bramha@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><br><br><div class="gmail_quote"><div class="im">On Sun, Dec 30, 2012 at 10:40 PM, deepika goyal <span dir="ltr"><<a href="mailto:deepika.goyal58@gmail.com" target="_blank">deepika.goyal58@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hello Sir,<div> </div><div> I have checked the environmental variable file and the path for the PESUDO_DIR is also correctly defined.</div></blockquote></div><div>Can you please give your path what you have given? <br>
</div><div class="im">
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div> In FAQ, I found no thread relating this error. I tried with <span style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">EXPORT HTTP_PROXY=</span><a href="http://10.1.201.7:3128/" style="color:rgb(17,85,204);font-size:13px;font-family:arial,sans-serif" target="_blank">http://username:password/</a> in .bashrc file. but nothing is working. </div>
<div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif"><font color="#222222" face="arial, sans-serif"><br></font></div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">
<font color="#222222" face="arial, sans-serif">Error message:</font></div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif"><br></div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">
physics@intranet:~/espresso/espresso/PW/examples/example01$ ./run_example</div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif"><br></div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">
/home/physics/espresso/espresso/PW/examples/example01 : starting</div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif"><br></div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">
This example shows how to use pw.x to calculate the total energy and</div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">the band structure of four simple systems: Si, Al, Cu, Ni.</div>
<div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif"><br></div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">
executables directory: /bin</div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif"> pseudo directory: /pseudo</div></div></blockquote></div><div>it seems you are given here a current directory. see this folder exist or not where you have given this into your envirnment. if it is not there make a folder for this and then try. <br>
</div><div><div class="h5"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">
temporary directory: /home/physics/tmp</div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif"> checking that needed directories and files exist...</div><div><div style="color:rgb(80,0,80);font-size:13px;font-family:arial,sans-serif">
<div>ERROR: /pseudo not existent or not a directory</div><div>Aborting</div></div></div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">physics@intranet:~/espresso/espresso/PW/examples/example01$</div>
<div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif"><br></div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">
If possible can we do it using Team Viewer as I am very new to Linux environment. </div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif"><br></div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">
Thanks and regards</div><div><br></div><div>Deepika<div><div>Research Scholar</div><div>Department of Physics</div>
<div>Indian Institute of Technology</div><div>Ropar, 140001</div><div>Punjab </div></div></div><div><br><div><br><br><div class="gmail_quote"><div>On Sun, Dec 30, 2012 at 10:19 PM, Ari P Seitsonen <span dir="ltr"><<a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a>></span> wrote:<br>
</div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div><br>
Dear Deepika,<br>
<br>
Clearly the variable 'pseudo_dir' in your input is errorneuous, probably there is a problem with an environmental variable that you use but it is not defined?<br>
<br>
Otherwise it would be more useful to provide more information about what you did, your script/input files; but this is practically an FAQ, more a question about the usage of unix/linux scripts than Q-E itself.<br>
<br>
Good Luck!,<br>
<br>
apsi<br>
<br>
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=<u></u>*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=<u></u>-=*=-=*=-=*=-=*=-<br>
Ari P Seitsonen / <a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a> / <a href="http://www.iki.fi/~apsi/" target="_blank">http://www.iki.fi/~apsi/</a><br>
Physikalisch-Chemisches Institut der Universitaet Zuerich<br>
Tel: +41 44 63 54 497 / Mobile: +41 79 71 90 935<div><br>
<br>
<br>
On Sun, 30 Dec 2012, deepika goyal wrote:<br>
<br>
</div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div>
Hello,<br>
I have started working on Quantum Espresso, while installation process I<br>
have successfully tested the PW and CPV modules as given in User's guide for<br>
Quantum Espresso but the example files while running shows the error message<br>
<br>
ERROR: /pseudo not existent or not a directory<br>
Aborting<br>
<br>
Thanks and Regards<br>
<br>
--<br></div>
DeepikaResearch Scholar<div><br>
Department of Physics<br>
Indian Institute of Technology<br>
Ropar, 140001<br>
Punjab <br>
<br>
</div></blockquote>
<br></div></div><div>_______________________________________________<br>
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<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></div></blockquote></div><span><font color="#888888"><br><br clear="all"><div><br></div>
-- <br>Deepika</font></span><div><div>Research Scholar</div><div>Department of Physics</div>
<div>Indian Institute of Technology</div><div>Ropar, 140001</div><div>Punjab </div>
</div></div></div></div>
<br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div></div></div><br><br clear="all"><br>-- <br><div class="HOEnZb"><div class="h5">Thanks and Regards<br>
Bramha Prasad Pandey<br>Indian School of Mines(ISM)<br>
Dhanbad, INDIA.<br>
</div></div><br>_______________________________________________<br>
Pw_forum mailing list<br>
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<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><div><br></div>-- <br>Deepika<div>Research Scholar</div><div>Department of Physics</div>
<div>Indian Institute of Technology</div><div>Ropar, 140001</div><div>Punjab </div>