<div dir="ltr">Dear Filippo,<div style=""> Thanks for your helpful comments. We have openmpi version 1.6-intel and the compiler version is intel-2012-lp64. Please let me know if more details are needed. I did edit the partialdos.f90 file to remove the advance="NO". So far, we have found the 5.2.1 version to perform well otherwise. Thanks, Natalie</div><div style=""><br></div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature">N. A. W. Holzwarth email: <a href="mailto:natalie@wfu.edu" target="_blank">natalie@wfu.edu</a><div>Department of Physics web: <a href="http://www.wfu.edu/~natalie" target="_blank">http://www.wfu.edu/~natalie</a></div><div>Wake Forest University phone: 1-336-758-5510 </div><div>Winston-Salem, NC 27109 USA office: Rm. 300 Olin Physical Lab</div></div></div>
<br><div class="gmail_quote">On Mon, Sep 28, 2015 at 2:54 AM, Filippo Spiga <span dir="ltr"><<a href="mailto:spiga.filippo@gmail.com" target="_blank">spiga.filippo@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Natalie,<br>
<br>
which version of intel compiler? We need to track these information to fix backward compatibility and increase our testing coverage. Anyway, if needed I can generate a patch to revert only these specific issue within the next 24h.<br>
<br>
--<br>
Mr. Filippo SPIGA, M.Sc.<br>
Quantum ESPRESSO Foundation<br>
<a href="http://fspiga.github.io" rel="noreferrer" target="_blank">http://fspiga.github.io</a> ~ skype: filippo.spiga<br>
<br>
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<br>
> On Sep 27, 2015, at 11:55 PM, Holzwarth, Natalie <<a href="mailto:natalie@wfu.edu">natalie@wfu.edu</a>> wrote:<br>
><br>
> In testing the new 5.2.1 version of the program, I noticed that one change from 5.1 was in the partial density of states output from partialdos.f90 for the title line.<br>
><br>
> For example, in version 5.1, the title line for the pdos output used<br>
> WRITE(4,'(" pdos(E) ",$)')<br>
><br>
> while in version 5.2.1 the same pdos output is changed to<br>
> WRITE(4,'(" pdos(E) "), advance="NO"')<br>
><br>
> For our intel compiler, the 5.1 version keeps the title line on a single line, while the 5.2.1 version puts each piece of the title line on a different line. I guess it is not processing the advance="NO" statement. Since this title line is making the postprocessing difficult, I am tempted to put those write statements back to the 5.1 version, or perhaps there is a better solution. Thanks in advance for your advice on this. Natalie<br>
><br>
> N. A. W. Holzwarth email: <a href="mailto:natalie@wfu.edu">natalie@wfu.edu</a><br>
> Department of Physics web: <a href="http://www.wfu.edu/~natalie" rel="noreferrer" target="_blank">http://www.wfu.edu/~natalie</a><br>
> Wake Forest University phone: 1-336-758-5510<br>
> Winston-Salem, NC 27109 USA office: Rm. 300 Olin Physical Lab<br>
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