<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><flux_ray12@163.com></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: GAO Zhe <flux_ray12@163.com><br>Subject: Re: [Pw_forum] problems with pp.x for parallel processing<br>To: "PWSCF Forum" <pw_forum@pwscf.org><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 <input
>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 2011-10-08 02:09:04,"Natalia Pavlenko" <natalia@npavlenko.com> wrote:<br>>I tried two different possibilities: first, I used the same number of pools ("-npool 2") in nscf and in pp.x. In this case I received the message:<br>>-------------<br>>from local_dos : error # 1<br>> problems with xk_pool<br>>------------------<br>>Second, I tried to run pp.x without setting the option npool<br>>(just pp.x < case_rho.in > case_rho.out), in this case I get the following message after the&n
bsp;crash:<br>>------------------<br>>from postproc : error # 1<br>>pw.x run with a different number of pools. Use wf_collect=.true.<br>>-------------------<br>><br>>Best regards, N. Pavlenko<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>><br>>--- On Fri, 10/7/11, Paolo Giannozzi <giannozz@democritos.it> wrote:<br>><br>>> From: Paolo Giannozzi <giannozz@democritos.it><br>>> Subject: Re: [Pw_forum] problems with pp.x for parallel processing<br>>> To: "PWSCF Forum" <pw_for
um@pwscf.org><br>>> Date: Friday, October 7, 2011, 10:40 AM<br>>> <br>>> On Oct 7, 2011, at 18:19 , Natalia Pavlenko wrote:<br>>> <br>>> > I am trying to calculate charge density plots using<br>>> pp.x for 8 <br>>> > parallel<br>>> > processors. The scf and nscf calculations are<br>>> successfully finished.<br>>> > With pp.x, I receive the following warning after the<br>>> CRASH:<br>>> <br>>> you didn't try to run on a diferent number of pools from<br>>> the one<br>>> used in the&n
bsp;nscf calculation?<br>>> <br>>> P.<br>>> ---<br>>> Paolo Giannozzi, Dept of<br>>> Chemistry&Physics&Environment,<br>>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>>> Phone +39-0432-558216, fax +39-0432-558222<br>>> <br>>> <br>>> <br>>> <br>>> _______________________________________________<br>>> Pw_forum mailing list<br>>> Pw_forum@pwscf.org<br>>> http://www.democritos.it/mailman/listinfo/pw_forum<br>>> <br>>_______________________________________________<br>>Pw_forum mailing list<br>>Pw_forum@pwscf.org<br>>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>