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><br>regards<br>Daniel and Luca<br>
<br><br><br><div class="gmail_quote">2010/7/20 Gabriele Sclauzero <span dir="ltr"><<a href="mailto:sclauzer@sissa.it">sclauzer@sissa.it</a>></span><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div style="word-wrap: break-word;"><div><br></div>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></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 (Universitą di Padova)<br>Luca Sementa (IPCF-CNR Pisa)<br>
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<span style="color: rgb(126, 126, 126); font-size: 16px; font-style: italic;"><br>§ Gabriele Sclauzero, EPFL SB ITP CSEA</span></div><div><font color="#7e7e7e"><i> PH H2 462, Station 3, CH-1015 Lausanne</i></font></div>
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<br></blockquote></div><br><br clear="all"><br>-- <br> ----------------------------------<br><br> Daniel Forrer<br> Dipartimento di Scienze Chimiche<br> Universitą degli Studi di Padova<br> V. Marzolo 1, Padova<br> mail <a href="mailto:daniel.forrer@unipd.it">daniel.forrer@unipd.it</a><br>
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