<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">It does not work, unfortunately.<br><br>--------------------------------------------<br>Dr. Natalia Pavlenko<br>Institute for Condensed Matter Physics,<br>Lviv, Ukraine<br><br>Tel.: +38-0322-707401<br>Fax: +38-0322-761158<br><br><br>--- On <b>Fri, 10/7/11, GAO Zhe <i>&lt;flux_ray12@163.com&gt;</i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: GAO Zhe &lt;flux_ray12@163.com&gt;<br>Subject: Re: [Pw_forum] problems with pp.x for parallel processing<br>To: "PWSCF Forum" &lt;pw_forum@pwscf.org&gt;<br>Date: Friday, October 7, 2011, 12:23 PM<br><br><div id="yiv628058227"><div style="line-height: 1.7; color: rgb(0, 0, 0); font-size: 14px; font-family: arial;">In my opinion, the easiest way to solve this problem is to add wf_collect=.t. in nscf calculation "input" file, then use pp.x &lt;input
 &gt;output without parallelism.<br><br><br><br><div>--<br>GAO Zhe<br>CMC Lab, MSE, SNU, Seoul, S.Korea<br>        
</div><div
 id="yiv628058227divNeteaseMailCard"></div><br><pre><br>At&nbsp;2011-10-08&nbsp;02:09:04,"Natalia&nbsp;Pavlenko"&nbsp;&lt;natalia@npavlenko.com&gt;&nbsp;wrote:<br>&gt;I&nbsp;tried&nbsp;two&nbsp;different&nbsp;possibilities:&nbsp;first,&nbsp;I&nbsp;used&nbsp;the&nbsp;same&nbsp;number&nbsp;of&nbsp;pools&nbsp;("-npool&nbsp;2")&nbsp;in&nbsp;nscf&nbsp;and&nbsp;in&nbsp;pp.x.&nbsp;In&nbsp;this&nbsp;case&nbsp;I&nbsp;received&nbsp;the&nbsp;message:<br>&gt;-------------<br>&gt;from&nbsp;local_dos&nbsp;:&nbsp;error&nbsp;#&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;1<br>&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;problems&nbsp;with&nbsp;xk_pool<br>&gt;------------------<br>&gt;Second,&nbsp;I&nbsp;tried&nbsp;to&nbsp;run&nbsp;pp.x&nbsp;without&nbsp;setting&nbsp;the&nbsp;option&nbsp;npool<br>&gt;(just&nbsp;pp.x&nbsp;&lt;&nbsp;case_rho.in&nbsp;&gt;&nbsp;case_rho.out),&nbsp;in&nbsp;this&nbsp;case&nbsp;I&nbsp;get&nbsp;the&nbsp;following&nbsp;message&nbsp;after&nbsp;the&n
bsp;crash:<br>&gt;------------------<br>&gt;from&nbsp;postproc&nbsp;:&nbsp;error&nbsp;#&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;1<br>&gt;pw.x&nbsp;run&nbsp;with&nbsp;a&nbsp;different&nbsp;number&nbsp;of&nbsp;pools.&nbsp;Use&nbsp;wf_collect=.true.<br>&gt;-------------------<br>&gt;<br>&gt;Best&nbsp;regards,&nbsp;N.&nbsp;Pavlenko<br>&gt;Dr.&nbsp;Natalia&nbsp;Pavlenko<br>&gt;Institute&nbsp;for&nbsp;Condensed&nbsp;Matter&nbsp;Physics,<br>&gt;Lviv,&nbsp;Ukraine<br>&gt;<br>&gt;Tel.:&nbsp;+38-0322-707401<br>&gt;Fax:&nbsp;+38-0322-761158<br>&gt;<br>&gt;<br>&gt;<br>&gt;---&nbsp;On&nbsp;Fri,&nbsp;10/7/11,&nbsp;Paolo&nbsp;Giannozzi&nbsp;&lt;giannozz@democritos.it&gt;&nbsp;wrote:<br>&gt;<br>&gt;&gt;&nbsp;From:&nbsp;Paolo&nbsp;Giannozzi&nbsp;&lt;giannozz@democritos.it&gt;<br>&gt;&gt;&nbsp;Subject:&nbsp;Re:&nbsp;[Pw_forum]&nbsp;problems&nbsp;with&nbsp;pp.x&nbsp;for&nbsp;parallel&nbsp;processing<br>&gt;&gt;&nbsp;To:&nbsp;"PWSCF&nbsp;Forum"&nbsp;&lt;pw_for
um@pwscf.org&gt;<br>&gt;&gt;&nbsp;Date:&nbsp;Friday,&nbsp;October&nbsp;7,&nbsp;2011,&nbsp;10:40&nbsp;AM<br>&gt;&gt;&nbsp;<br>&gt;&gt;&nbsp;On&nbsp;Oct&nbsp;7,&nbsp;2011,&nbsp;at&nbsp;18:19&nbsp;,&nbsp;Natalia&nbsp;Pavlenko&nbsp;wrote:<br>&gt;&gt;&nbsp;<br>&gt;&gt;&nbsp;&gt;&nbsp;I&nbsp;am&nbsp;trying&nbsp;to&nbsp;calculate&nbsp;charge&nbsp;density&nbsp;plots&nbsp;using<br>&gt;&gt;&nbsp;pp.x&nbsp;for&nbsp;8&nbsp;&nbsp;<br>&gt;&gt;&nbsp;&gt;&nbsp;parallel<br>&gt;&gt;&nbsp;&gt;&nbsp;processors.&nbsp;The&nbsp;scf&nbsp;and&nbsp;nscf&nbsp;calculations&nbsp;are<br>&gt;&gt;&nbsp;successfully&nbsp;finished.<br>&gt;&gt;&nbsp;&gt;&nbsp;With&nbsp;pp.x,&nbsp;I&nbsp;receive&nbsp;the&nbsp;following&nbsp;warning&nbsp;after&nbsp;the<br>&gt;&gt;&nbsp;CRASH:<br>&gt;&gt;&nbsp;<br>&gt;&gt;&nbsp;you&nbsp;didn't&nbsp;try&nbsp;to&nbsp;run&nbsp;on&nbsp;a&nbsp;diferent&nbsp;number&nbsp;of&nbsp;pools&nbsp;from<br>&gt;&gt;&nbsp;the&nbsp;one<br>&gt;&gt;&nbsp;used&nbsp;in&nbsp;the&n
bsp;nscf&nbsp;calculation?<br>&gt;&gt;&nbsp;<br>&gt;&gt;&nbsp;P.<br>&gt;&gt;&nbsp;---<br>&gt;&gt;&nbsp;Paolo&nbsp;Giannozzi,&nbsp;Dept&nbsp;of<br>&gt;&gt;&nbsp;Chemistry&amp;Physics&amp;Environment,<br>&gt;&gt;&nbsp;Univ.&nbsp;Udine,&nbsp;via&nbsp;delle&nbsp;Scienze&nbsp;208,&nbsp;33100&nbsp;Udine,&nbsp;Italy<br>&gt;&gt;&nbsp;Phone&nbsp;+39-0432-558216,&nbsp;fax&nbsp;+39-0432-558222<br>&gt;&gt;&nbsp;<br>&gt;&gt;&nbsp;<br>&gt;&gt;&nbsp;<br>&gt;&gt;&nbsp;<br>&gt;&gt;&nbsp;_______________________________________________<br>&gt;&gt;&nbsp;Pw_forum&nbsp;mailing&nbsp;list<br>&gt;&gt;&nbsp;Pw_forum@pwscf.org<br>&gt;&gt;&nbsp;http://www.democritos.it/mailman/listinfo/pw_forum<br>&gt;&gt;&nbsp;<br>&gt;_______________________________________________<br>&gt;Pw_forum&nbsp;mailing&nbsp;list<br>&gt;Pw_forum@pwscf.org<br>&gt;http://www.democritos.it/mailman/listinfo/pw_forum<br></pre></div><br><br><span title="neteasefooter"><span
 id="yiv628058227netease_mail_footer"></span></span></div><br>-----Inline Attachment Follows-----<br><br><div class="plainMail">_______________________________________________<br>Pw_forum mailing list<br><a ymailto="mailto:Pw_forum@pwscf.org" href="/mc/compose?to=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></div></blockquote></td></tr></table>