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<div class="moz-cite-prefix">Dear Taylor,<br>
<br>
thank you very much for the patch,<br>
we will include it in the trunk in one of the next commits,<br>
<br>
best,<br>
carlo<br>
<br>
Il 01/02/2016 08:01, Taylor Barnes ha scritto:<br>
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cite="mid:CAPD_qR=6K0SuVPAeAzUFEoVX7PBtYqwt8NV+3DzqqkDz3zPv4Q@mail.gmail.com"
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<div><span class=""></span>Dear All,<br>
</div>
<span class=""><span><br>
</span></span></div>
<span class=""><span> I am a postdoc who is currently
working on QE as part of NERSC's NESAP efforts, with
particular interest in improving the efficiency of the
exact exchange parts of the code. In the coming
months I intend to contribute several changes to the
parallelization strategy of exx.f90, but in the
meantime I would like to present one small
modification to vexx_k.<br>
</span></span></div>
<div><span class=""><span> The attached patch reduces the
total amount of data communication in subroutine
vexx_k. This is accomplished by moving several
"mp_sum" calls to a later point in the code, so that
quantities that were communicated in real-space are
instead communicated in g-space. For some
calculations, this can result in a non-negligible
reduction in walltime. The patch can be applied by
running "patch < exx.patch" within PW/src.<br>
</span></span></div>
<div><span class=""><span><br>
</span></span></div>
<span class=""><span>Sincerely,<br>
</span></span></div>
<span class=""><span>Dr. Taylor Barnes<br>
</span></span></div>
<div><span class=""><span>Postdoctoral Scholar,<br>
</span></span></div>
<span class=""><span>Lawrence Berkeley National Laboratory<br>
</span></span></div>
<br>
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<br>
<pre class="moz-signature" cols="72">--
Ph.D. Carlo Cavazzoni
SuperComputing Applications and Innovation Department
CINECA - Via Magnanelli 6/3, 40033 Casalecchio di Reno (Bologna)
Tel: +39 051 6171411 Fax: +39 051 6132198
<a class="moz-txt-link-abbreviated" href="http://www.cineca.it">www.cineca.it</a></pre>
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