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<p>Dear Claudio</p>
<p>probably your first calculation terminates regularly and, on
exit, deletes the .prd files. You could try to run the first
calculation setting last_irrep = 3 and impose an earlier
termination setting max_seconds to some lapse that it is just
enough to compute the first 2 irreps. <br>
</p>
<p>Other option: try to comment the call to clean_pw_ph at line 135
of PHonon/PH/do_phonon, ( keep the label (100) and put there a
CONTINUE ). Note that in this case the code should work only if
you are computing phonons at one q point as it the case of your
input. <br>
</p>
regards - Pietro <br>
<br>
<br>
<div class="moz-cite-prefix">On 10/12/2017 16:23, Claudio Perottoni
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:f0234e57-4c2e-73c7-2fe3-963cc5ace63b@gmail.com">
<meta http-equiv="content-type" content="text/html; charset=utf-8">
<p><font face="Quattrocento Sans">Dear all,</font></p>
<p><font face="Quattrocento Sans">After successfully running a
phonon calculation restricted to the first two irreducible
representations and including Born effective charges
calculation I set a restart calculation aiming to timing
execution for continuing calculations on a grid. However the
restart calculation starts well, I am invariably having davcio
errors, as described below.<br>
</font></p>
<p><font face="Quattrocento Sans">Here is the first ph.x input
file, running of which went well up to completion,</font></p>
<p><font face="Quattrocento Sans"> &inputph<br>
tr2_ph=1.0d-16,<br>
prefix='0gpa',<br>
ldisp=.true.,<br>
nq1=1, nq2=1, nq3=1,<br>
lqdir=.true.,<br>
recover=.true.,<br>
low_directory_check=.true.,<br>
start_irr=1,<br>
last_irr=2,<br>
outdir='/scratch/files/',<br>
fildyn='0gpa.dyn.xml'<br>
/</font></p>
<p><font face="Quattrocento Sans">and here is the ph.x input file
aiming to restart the calculation for just the third irrep,<br>
</font></p>
<p><font face="Quattrocento Sans"> &inputph<br>
tr2_ph=1.0d-16,<br>
prefix='0gpa',<br>
ldisp=.true.,<br>
nq1=1, nq2=1, nq3=1,<br>
lqdir=.true.,<br>
recover=.true.,<br>
low_directory_check=.true.,<br>
start_irr=3,<br>
last_irr=3,<br>
outdir='/scratch/files/',<br>
fildyn='0gpa.dyn.xml'<br>
/</font></p>
<p><font face="Quattrocento Sans">After a while, the code
complains about reading .prd files (these files are present in
the scratch forlder, but their sizes is 0 kB). This is an
excerpt from the final part of the output file:</font></p>
<p><font face="Quattrocento Sans">...</font></p>
<p><font face="Quattrocento Sans"> atom 132 O<br>
Ex ( -2.70236 1.79240 -1.48478 )<br>
Ey ( 1.35871 -1.59983 1.00027 )<br>
Ez ( -1.63036 1.25886 -2.41541 )<br>
<br>
<br>
Representation # 3 mode # 3<br>
<br>
Self-consistent Calculation<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
Error in routine davcio (25):<br>
error while reading from file
"/scratch/files/_ph0/0gpa.prd82"<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
stopping ...<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
Error in routine davcio (25):<br>
error while reading from file
"/scratch/files/_ph0/0gpa.prd20"<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
stopping ...<br>
</font></p>
<p><font face="Quattrocento Sans">The calculation is being running
with MPI-enabled ph.x and the error occurs no matter the
number of processes is different of it is the same as in the
previous ph.x run. Every test was executed with a fresh and
unique temporary directory, whose files where copied from the
scratch folder as left after the </font><font
face="Quattrocento Sans"><font face="Quattrocento Sans">successful
ph.x run</font> for the two first irreps. I am using the
master branch of QE from <a class="moz-txt-link-freetext"
href="https://github.com/QEF/q-e" moz-do-not-send="true">https://github.com/QEF/q-e</a>.
Tests performed with earlier versions of QE-6.2 gave the same
error. <br>
</font></p>
<p><font face="Quattrocento Sans">I would be glad to hear any
suggestion on how to proceed with the ph.x restart calculation
while avoiding these errors.</font></p>
<p><font face="Quattrocento Sans">Best regards,</font></p>
<p><font face="Quattrocento Sans">Claudio<br>
</font></p>
<pre class="moz-signature" cols="72">--
*********************************************************************
Claudio A. Perottoni
Universidade de Caxias do Sul
Rua Francisco Getulio Vargas, 1130
95070-560 Caxias do Sul - RS - Brazil
<a class="moz-txt-link-freetext" href="http://www.researcherid.com/rid/B-8409-2008" moz-do-not-send="true">http://www.researcherid.com/rid/B-8409-2008</a>
*********************************************************************
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