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On 07/20/2010 06:04 PM, Daniel Forrer wrote:
<blockquote
cite="mid:AANLkTimwW9ybL0-fGd9gLQgYr2LqqR6yG5S4SnFJdIiN@mail.gmail.com"
type="cite">Dear Gabriele,<br>
thank you for your prompt answer.<br>
Indeed, we set verbosity = 'high'.<br>
It was a little confusing to us that this line was present only for a
subset of k-points.<br>
</blockquote>
<br>
I see. You are right, maybe this kind of printout should be modified in
order to take into account the case with npool > 1, for the sake of
completeness (and to avoid confusing users).<br>
<br>
Regards,<br>
<br>
Gabriele<br>
<br>
<blockquote
cite="mid:AANLkTimwW9ybL0-fGd9gLQgYr2LqqR6yG5S4SnFJdIiN@mail.gmail.com"
type="cite"><br>
regards<br>
Daniel and Luca<br>
<br>
<br>
<br>
<div class="gmail_quote">2010/7/20 Gabriele Sclauzero <span dir="ltr"><<a
moz-do-not-send="true" href="mailto:sclauzer@sissa.it">sclauzer@sissa.it</a>></span><br>
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Have you set verbosity='high' in the input? If so, I think this is the
expected behavior of the code. When running in parallel, however, I
suspect that only the IO node prints this information, so that's why
you don't see this printout for all the k-points but only for those
assigned to the first pool. Anyway, this should not affect the results
in any way.
<div><br>
</div>
<div>HTH</div>
<div><br>
</div>
<div>GS</div>
<div><br>
</div>
<div>
<div>
<div>Il giorno 20/lug/2010, alle ore 17.18, Daniel Forrer ha
scritto:</div>
<br>
<blockquote type="cite">
<div>
<div class="h5">Dear all,<br>
in the output file of the nscf run, using npool > 1<br>
the line of the type:<br>
"Computing kpt #: xx"<br clear="all">
are printed only for a few k-points, precisely from kpt=1 to kpt=(total
kpt)/npool<br>
we checked that the nscf run computes actually the whole set of
k-points, so that it is only a matter of the textual output.<br>
<br>
kind regards<br>
<br>
Daniel Forrer (Università di Padova)<br>
Luca Sementa (IPCF-CNR Pisa)<br>
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§ Gabriele Sclauzero, EPFL SB ITP CSEA</span></div>
<div><font color="#7e7e7e"><i> PH H2 462, Station 3, CH-1015
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-- <br>
----------------------------------<br>
<br>
Daniel Forrer<br>
Dipartimento di Scienze Chimiche<br>
Università degli Studi di Padova<br>
V. Marzolo 1, Padova<br>
mail <a moz-do-not-send="true" href="mailto:daniel.forrer@unipd.it">daniel.forrer@unipd.it</a><br>
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<pre class="moz-signature" cols="72">--
Gabriele Sclauzero, EPFL SB ITP CSEA
PH H2 462, Station 3, CH-1015 Lausanne
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