<div dir="ltr"><div>I don't think there has been any change in file format that make files from a previous version unreadable by the new version. Remember that running "bands" may overwrite wavefunctions from "scf"<br><br></div>Paolo<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Fri, Jun 26, 2015 at 2:37 PM, Kirk <span dir="ltr"><<a href="mailto:khrusallis@gmail.com" target="_blank">khrusallis@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="gmail_quote">Hello<br><br><div dir="ltr"><div>I am using QE 5.0.2 and QE 5.1.2 on NERSC (<a href="https://www.nersc.gov/" target="_blank">https://www.nersc.gov/</a>).</div><div><br></div><div>I do a calculation='scf' run with 5.0.2 and then also with 5.0.2 a calculation='bands' run. All is well.</div><div><br></div><div>Then I try to do the exact same calculation='bands' run with 5.1.2 using the 5.0.2 "*.save" data. All is not well. I get lots of these:</div><div><br></div><div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div>     Error in routine diropn (10):</div><div>     error opening ./P2.wfc109</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div>     stopping ...</div></div><div>*****************************************************</div><div><br></div><div>Is this correct behavior?</div><div><br></div><div>I searched the forum but found nothing re diropn. </div><div><br></div><div></div><div>Best Regards</div><span class="HOEnZb"><font color="#888888"><span><font color="#888888"><div>Kirk</div><div><br></div></font></span></font></span></div>
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Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone <a href="tel:%2B39-0432-558216" value="+390432558216" target="_blank">+39-0432-558216</a>, fax <a href="tel:%2B39-0432-558222" value="+390432558222" target="_blank">+39-0432-558222</a></font></span></span></div></div></div></div>
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