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<p hasownproperty="function hasOwnProperty() {
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}" style="padding: 0; margin: 0;" data-mce-style="padding: 0; margin: 0;"><span data-mce-style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;" style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;">Stephan<br data-mce-bogus="1"></span></p><blockquote style="border-left: 2px solid #325FBA; padding-left: 5px; margin: 0px 5px;"><span style="font-family:tahoma,arial,helvetica,sans-serif; font-size: 10pt;">-----Original message-----<br><span><strong>From:</strong> Paolo Giannozzi <p.giannozzi@gmail.com></span><br><span><strong>Sent:</strong> Thursday 9th July 2015 13:37</span><br><span><strong>To:</strong> PWSCF Forum <pw_forum@pwscf.org></span><br><span><strong>Subject:</strong> Re: [Pw_forum] no scf started for huge system</span><br><br></span><!-- begin sanitized html --><div dir="ltr"><br><div class="gmail_extra"><br><div class="gmail_quote">On Thu, Jul 9, 2015 at 12:38 PM, Ludwig, Stephan <span dir="ltr"><<a href="mailto:stephan.ludwig@pi1.physik.uni-stuttgart.de" target="_blank" title="This external link will open in a new window">stephan.ludwig@pi1.physik.uni-stuttgart.de</a>></span> wrote:<div> </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div><p style="padding:0px;margin:0px"><span style="font-size:10pt;font-family:tahoma,arial,helvetica,sans-serif"></span></p>Kohn-Sham Wavefunctions 7508.34 Mb ( 935488, 526)<br><p style="padding:0px;margin:0px"><span style="font-size:10pt;font-family:tahoma,arial,helvetica,sans-serif"> NL pseudopotentials 20098.38 Mb ( 935488, 1408)</span> </p></div></blockquote><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div><p style="padding:0px;margin:0px"><span style="font-size:10pt;font-family:tahoma,arial,helvetica,sans-serif">Auxiliary wavefunctions 30033.37 Mb ( 935488, 2104)</span><br></p></div></blockquote><div><br>You are trying to run a job with <span style="font-size:10pt;font-family:tahoma,arial,helvetica,sans-serif">935488 plane waves, 526 bands, 1408 projectors, PER PROCESS. These are sensible numbers for a 250-atom unit cell, but you have to run such a job in parallel, distributing plane waves across processors (something that you are clearly NOT doing)<br><br></span></div><div><span style="font-size:10pt;font-family:tahoma,arial,helvetica,sans-serif">Paolo<br></span></div></div>-- <br><div><div dir="ltr"><div><div dir="ltr"><span><span><span style="color: #888888;" data-mce-style="color: #888888;" color="#888888">Paolo Giannozzi, Dept. Chemistry&Physics&Environment,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone <a href="tel:%2B39-0432-558216" value="+390432558216" target="_blank" title="This external link will open in a new window">+39-0432-558216</a>, fax <a href="tel:%2B39-0432-558222" value="+390432558222" target="_blank" title="This external link will open in a new window">+39-0432-558222</a></span></span></span><br data-mce-bogus="1"></div></div></div></div>
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