<div dir="ltr">Thanks very much for your assistance</div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature"><div dir="ltr">Ray Gasper<br>Computational Nanomaterials Laboratory<br>ELab 204<br>Chemical Engineering<br>University of Massachusetts Amherst<br><a href="tel:402-990-4900" value="+14029904900" target="_blank">402-990-4900</a></div></div></div>
<br><div class="gmail_quote">On Wed, Sep 30, 2015 at 8:10 AM, nicola varini <span dir="ltr"><<a href="mailto:nicola.varini@epfl.ch" target="_blank">nicola.varini@epfl.ch</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Ok I got what you miss: if you would like to restart with a different<br>
number of processor you must specify<br>
wf_collect=.true. as the error suggest you.<br>
<span class=""><br>
  Error in routine phq_readin (1):<br>
      pw.x run with a different number of processors. Use wf_collect=.true.<br>
<br>
<br>
</span>The best way to understand which options pw.x takes is to use<br>
<a href="http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html" rel="noreferrer" target="_blank">http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html</a><br>
as a reference.<br>
Here,<br>
<a href="http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idp32096" rel="noreferrer" target="_blank">http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idp32096</a>,<br>
it explains what wf_collect does.<br>
While<br>
<a href="http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/node18.html" rel="noreferrer" target="_blank">http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/node18.html</a><br>
is a good description for the parallelization level.<br>
Now if I take the parallelization info at the beginning of your code I see<br>
<span class="">      Parallel version (MPI), running on    32 processors<br>
      path-images division:  nimage    =       4<br>
      K-points division:     npool     =       4<br>
      R & G space division:  proc/nbgrp/npool/nimage = 2<br>
<br>
<br>
<br>
<br>
</span>Nocp;a<br>
<br>
<br>
<br>
On 29/09/15 17:38, Raymond Gasper wrote:<br>
> Use wf_collect=.true.<br>
<div class="HOEnZb"><div class="h5"><br>
--<br>
Nicola Varini, PhD<br>
<br>
Scientific IT and Application Support (SCITAS)<br>
Theory and simulation of materials (THEOS)<br>
CE 0 813 (Bâtiment CE)<br>
Station 1<br>
CH-1015 Lausanne<br>
<a href="tel:%2B41%2021%2069%2031332" value="+41216931332">+41 21 69 31332</a><br>
<a href="http://scitas.epfl.ch" rel="noreferrer" target="_blank">http://scitas.epfl.ch</a><br>
<br>
Nicola Varini<br>
<br>
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