<div dir="ltr">You may be try with incresing the ecut cuoff value in your input file, it may be around 18Ry and incresed it upto approx 35 Ry, if it works then see the reason for that increased value of this ecut cutoff.<br>
</div><div class="gmail_extra"><br><br><div class="gmail_quote">On Thu, Apr 4, 2013 at 3:49 PM, Krishna chaitanya <span dir="ltr"><<a href="mailto:krishnachaitanya.gunturu@gmail.com" target="_blank">krishnachaitanya.gunturu@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div class="im"><font color="#000000">Dear Prof. Paolo Giannozzi</font><br><div class="gmail_extra"><br>
My sincere apologies for the incomplete details about my issue. I am using PWSCF version 5.0 compiled with intel fortran 12.1.6 version, gfortran 4.7.2 and mpich 3.0.2 environment. </div>
<div class="gmail_extra"><br></div><div class="gmail_extra">When I am trying to do band structure calculation according to webpage <span style="font-family:arial,sans-serif;font-size:13px"> </span><i style="font-family:arial,sans-serif;font-size:13px"><a href="http://people.sissa.it/~degironc/QE-Tutorial/examples_pwscf_ex.tgz" target="_blank">http://people.sissa.it/~degironc/QE-Tutorial/examples_pwscf_ex.tgz</a> </i><span style="font-family:arial,sans-serif;font-size:13px">I am getting the following error for silicon case.</span></div>
</div><div class="gmail_extra"><div style="font-size:13px;font-family:arial,sans-serif"><br></div><div class="im"><div style="font-size:13px;font-family:arial,sans-serif"><i>Program received signal SIGSEGV: Segmentation fault - invalid memory reference.</i></div>
<div style="font-size:13px;font-family:arial,sans-serif"><i><br></i></div><div style="font-size:13px;font-family:arial,sans-serif"><i>Backtrace for this error:</i></div><div style="font-size:13px;font-family:arial,sans-serif">
<i>#0 0x2B8949244F27</i></div><div style="font-size:13px;font-family:arial,sans-serif"><i>#1 0x2B89492454F4</i></div><div style="font-size:13px;font-family:arial,sans-serif"><i>#2 0x3D036302CF</i></div>
<div style="font-size:13px;font-family:arial,sans-serif"><i>#3 0x2B894A53B270</i></div><div style="font-size:13px;font-family:arial,sans-serif"><i>#4 0x2B894825748C</i></div><div style="font-size:13px;font-family:arial,sans-serif">
<i>#5 0x2B89473DC47D</i></div><div style="font-size:13px;font-family:arial,sans-serif"><i>#6 0x411782 in cgracsc_ at cgracsc.f90:67</i></div><div style="font-size:13px;font-family:arial,sans-serif">
<i>#7 0x4084D8 in punch_band_ at bands.f90:331</i></div><div style="font-size:13px;font-family:arial,sans-serif"><i>#8 0x40951E in do_bands at bands.f90:112</i></div><div style="font-size:13px;font-family:arial,sans-serif">
<i><br></i></div><div style="font-size:13px;font-family:arial,sans-serif"><i>[1]+ Segmentation fault ../bin/bands.x < <a href="http://bands.in/" target="_blank">bands.in</a> > bands.out</i></div>
<div style="font-size:13px;font-family:arial,sans-serif"><br></div></div><div class="im"><div style="font-size:13px;font-family:arial,sans-serif">Moreover nothing is written in bands.out and bands.dat files. I hope with this information I will get solution for the above error.</div>
<div style="font-size:13px;font-family:arial,sans-serif">
<br></div><div style="font-size:13px;font-family:arial,sans-serif"><br></div></div></div><div class="gmail_extra"><font face="arial, sans-serif"><br></font><div class="gmail_quote"><div class="im">On Wed, Apr 3, 2013 at 6:49 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:paolo.giannozzi@uniud.it" target="_blank">paolo.giannozzi@uniud.it</a>></span> wrote:<br>
</div><div><div class="h5"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"><div>On Wed, 2013-04-03 at 11:22 +0530, Krishna chaitanya wrote:<br>
<br>
> Please suggest me how to solve this problem.<br>
<br>
</div>please see page <a href="http://www.quantum-espresso.org/?page_id=26" target="_blank">http://www.quantum-espresso.org/?page_id=26</a><br>
section "Reporting Bugs". There is no way anybody can suggest<br>
anything without a clear explanation of which exact operations<br>
have been done, on which version of the code, etc. etc.<br>
<span><font color="#888888"><br>
P.<br>
<br>
--<br>
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
<br>
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</font></span></blockquote></div></div></div><br><br clear="all"><div class="im"><div><br></div>-- <br>With Best Regards<br><br>Dr. G. Krishna Chaitanya<br>Assistant Professor<br>School of Chemical Sciences<br>SRTM University<br>
Nanded-431 606<br>India.<br>
</div></div></div>
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