<div style="line-height:1.7;color:#000000;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><div>--<br>GAO Zhe<br>CMC Lab, MSE, SNU, Seoul, S.Korea<br>        
</div><div id="divNeteaseMailCard"></div><br><pre><br>At&nbsp;2011-10-08&nbsp;02:09:04,"Natalia&nbsp;Pavlenko"&nbsp;&lt;natalia@npavlenko.com&gt;&nbsp;wrote:
&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:
&gt;-------------
&gt;from&nbsp;local_dos&nbsp;:&nbsp;error&nbsp;#&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;1
&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;problems&nbsp;with&nbsp;xk_pool
&gt;------------------
&gt;Second,&nbsp;I&nbsp;tried&nbsp;to&nbsp;run&nbsp;pp.x&nbsp;without&nbsp;setting&nbsp;the&nbsp;option&nbsp;npool
&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&nbsp;crash:
&gt;------------------
&gt;from&nbsp;postproc&nbsp;:&nbsp;error&nbsp;#&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;1
&gt;pw.x&nbsp;run&nbsp;with&nbsp;a&nbsp;different&nbsp;number&nbsp;of&nbsp;pools.&nbsp;Use&nbsp;wf_collect=.true.
&gt;-------------------
&gt;
&gt;Best&nbsp;regards,&nbsp;N.&nbsp;Pavlenko
&gt;Dr.&nbsp;Natalia&nbsp;Pavlenko
&gt;Institute&nbsp;for&nbsp;Condensed&nbsp;Matter&nbsp;Physics,
&gt;Lviv,&nbsp;Ukraine
&gt;
&gt;Tel.:&nbsp;+38-0322-707401
&gt;Fax:&nbsp;+38-0322-761158
&gt;
&gt;
&gt;
&gt;---&nbsp;On&nbsp;Fri,&nbsp;10/7/11,&nbsp;Paolo&nbsp;Giannozzi&nbsp;&lt;giannozz@democritos.it&gt;&nbsp;wrote:
&gt;
&gt;&gt;&nbsp;From:&nbsp;Paolo&nbsp;Giannozzi&nbsp;&lt;giannozz@democritos.it&gt;
&gt;&gt;&nbsp;Subject:&nbsp;Re:&nbsp;[Pw_forum]&nbsp;problems&nbsp;with&nbsp;pp.x&nbsp;for&nbsp;parallel&nbsp;processing
&gt;&gt;&nbsp;To:&nbsp;"PWSCF&nbsp;Forum"&nbsp;&lt;pw_forum@pwscf.org&gt;
&gt;&gt;&nbsp;Date:&nbsp;Friday,&nbsp;October&nbsp;7,&nbsp;2011,&nbsp;10:40&nbsp;AM
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;On&nbsp;Oct&nbsp;7,&nbsp;2011,&nbsp;at&nbsp;18:19&nbsp;,&nbsp;Natalia&nbsp;Pavlenko&nbsp;wrote:
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;&gt;&nbsp;I&nbsp;am&nbsp;trying&nbsp;to&nbsp;calculate&nbsp;charge&nbsp;density&nbsp;plots&nbsp;using
&gt;&gt;&nbsp;pp.x&nbsp;for&nbsp;8&nbsp;&nbsp;
&gt;&gt;&nbsp;&gt;&nbsp;parallel
&gt;&gt;&nbsp;&gt;&nbsp;processors.&nbsp;The&nbsp;scf&nbsp;and&nbsp;nscf&nbsp;calculations&nbsp;are
&gt;&gt;&nbsp;successfully&nbsp;finished.
&gt;&gt;&nbsp;&gt;&nbsp;With&nbsp;pp.x,&nbsp;I&nbsp;receive&nbsp;the&nbsp;following&nbsp;warning&nbsp;after&nbsp;the
&gt;&gt;&nbsp;CRASH:
&gt;&gt;&nbsp;
&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
&gt;&gt;&nbsp;the&nbsp;one
&gt;&gt;&nbsp;used&nbsp;in&nbsp;the&nbsp;nscf&nbsp;calculation?
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;P.
&gt;&gt;&nbsp;---
&gt;&gt;&nbsp;Paolo&nbsp;Giannozzi,&nbsp;Dept&nbsp;of
&gt;&gt;&nbsp;Chemistry&amp;Physics&amp;Environment,
&gt;&gt;&nbsp;Univ.&nbsp;Udine,&nbsp;via&nbsp;delle&nbsp;Scienze&nbsp;208,&nbsp;33100&nbsp;Udine,&nbsp;Italy
&gt;&gt;&nbsp;Phone&nbsp;+39-0432-558216,&nbsp;fax&nbsp;+39-0432-558222
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;
&gt;&gt;&nbsp;_______________________________________________
&gt;&gt;&nbsp;Pw_forum&nbsp;mailing&nbsp;list
&gt;&gt;&nbsp;Pw_forum@pwscf.org
&gt;&gt;&nbsp;http://www.democritos.it/mailman/listinfo/pw_forum
&gt;&gt;&nbsp;
&gt;_______________________________________________
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