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<p><font face="Times New Roman">Sorry, it is not clear to me what
you are asking.</font></p>
<p><font face="Times New Roman">As far as I know, BoltzTrap and the
new BoltzTrap2 are 'serial' programs.<br>
</font></p>
<p><font face="Times New Roman">By "implement parallel BoltzTrap",
are you asking about how to use the WIEN2k parallel output from
an scf calculation (run[sp]_lapw -p) with BoltzTrap?</font></p>
<p><font face="Times New Roman">There is currently a
gather_energy.pl script [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13418.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13418.html</a>
] for combining the parallel energy files of WIEN2k into a
serial one that can be used with BoltzTrap.</font></p>
<p><font face="Times New Roman">Note that on the website at</font></p>
<p><font face="Times New Roman"><a class="moz-txt-link-freetext" href="http://blog.levilentz.com/boltztrap-tutorial-for-quantum-espresso/">http://blog.levilentz.com/boltztrap-tutorial-for-quantum-espresso/</a></font></p>
<p><font face="Times New Roman">there is:</font></p>
<p><i><font face="Times New Roman">"finally how to run Boltztrap in
parallel mode?"-Muthu<br>
</font></i></p>
<p><i>I am not sure you can run this is parallel. Unless you have a
huge number of tangled bands, you really shouldn’t need to.
Further, if you do have such a system, only consider the
mobility of the bands near the fermi energy as those will be the
only ones participating in electronic mobility (in
general).-Levi</i><br>
</p>
<p><font face="Times New Roman">Or are asking how to program the
BoltzTrap source code to make parts of it parallel?</font></p>
<p><font face="Times New Roman">If your trying to rewrite parts of
the code to parallelize it, I think Intel has some documentation
for doing that with their ifort or icc compilers. For example,
see:</font></p>
<p><font face="Times New Roman"><a class="moz-txt-link-freetext" href="https://software.intel.com/en-us/mpi-developer-guide-linux-compiling-an-mpi-program">https://software.intel.com/en-us/mpi-developer-guide-linux-compiling-an-mpi-program</a></font></p>
<p><font face="Times New Roman">Some universities might have courses
or hold seminars on programing for code parallelization.</font></p>
<p><font face="Times New Roman">There should also be coding school
companies that offer online courses. If you happen to work for
a software company, your company might be paying one of those
online coding schools to give you access to those courses. Maybe,
even some universities do that too. Your library or department
could likely tell you what is available to you. As an example,
the "High-performance Computing in C++" course website for
Pluralsight </font><font face="Times New Roman"><font
face="Times New Roman">mentions it covers MPI and
parallelization topics</font>:</font></p>
<p><font face="Times New Roman"><a class="moz-txt-link-freetext" href="https://www.pluralsight.com/courses/cpp-high-performance-computing">https://www.pluralsight.com/courses/cpp-high-performance-computing</a></font></p>
<p><font face="Times New Roman">However, I haven't taken the above
course, so I cannot vouch for whether it would be helpful or not
for parallelizing the BolzTrap source code. There may be a more
appropriate course or tutorial that you could find yourself somewhere
else on the web.<br>
</font></p>
<div class="moz-cite-prefix">On 10/29/2017 3:36 PM, Kamil Klier
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAMzgt7exUtpVHVh9ejZfMARXGkjyzXM4VUWXdN=D_3EsatEsAQ@mail.gmail.com">
<div dir="ltr">I'd like to join this inquiry, with specifics on
how to implement parallel BoltzTrap and whether a link to
graphic (ps ?) could be mads available.
<div><br>
</div>
<div>With thanks,</div>
<div><br>
</div>
<div>Kamil</div>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Sat, Oct 28, 2017 at 10:15 PM, Gavin
Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu"
target="_blank" moz-do-not-send="true">gsabo@crimson.ua.edu</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF"> <font face="Times
New Roman">All,<br>
<br>
Just curious, has anyone heard if the new BoltzTraP2
package will remain a private code or if it is just not
ready yet for public release?<br>
<br>
The BoltzTraP website<br>
<br>
<a class="m_3430124078868289233moz-txt-link-freetext"
href="https://www.imc.tuwien.ac.at//forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap/"
target="_blank" moz-do-not-send="true">https://www.imc.tuwien.ac.at//<wbr>forschungsbereich_<wbr>theoretische_chemie/<wbr>forschungsgruppen/prof_dr_gkh_<wbr>madsen_theoretical_materials_<wbr>chemistry/boltztrap/</a><br>
<br>
and the blank workshop conclusion slide at<br>
<br>
<a class="m_3430124078868289233moz-txt-link-freetext"
href="http://susi.theochem.tuwien.ac.at/events/ws2017/"
target="_blank" moz-do-not-send="true">http://susi.theochem.tuwien.<wbr>ac.at/events/ws2017/</a><br>
<br>
don't seem to provide any hints about that.<br>
<br>
Thanks in advance,<br>
<br>
Gavin</font><br>
</div>
</blockquote>
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