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<p class=MsoNormal>Dear All,<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>Let us start with the following question. <o:p></o:p></p>
<p class=MsoNormal>Although this question and its answer may be trivial for
authors and experts, but it may be interesting for many of us.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>Is it possible to run the WIEN2k code for a heavy case,
using a regular laptop faster than a typical cluster containing for example
more than 100 nodes even if the speed of each nodes of the cluster is higher
than the speed of the laptop?<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>The answer surprisingly can be positive, if the authors
enable the wien2k code to use the graphics processing units (GPU) technology.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>We know that the maximum speed of silicon-based or even new
relativistic graphene-based processors asymptotically approaches to limited
values, and researchers are now switching from CPU to GPU technology.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>This will help many researchers with limited facility to
perform their heavy ab initio works like the others scientists who access to
fast super computers. <o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>For more information see:<o:p></o:p></p>
<p class=MsoNormal>[1] Journal of Computational Physics 227 (2008) 5342.<o:p></o:p></p>
<p class=MsoNormal>[2] Computer Physics Communications 181, (2010) 1549.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>DFT calculations:<o:p></o:p></p>
<p class=MsoNormal>[3] Journal of Chemical Physics 131 (2009) 034103.<o:p></o:p></p>
<p class=MsoNormal>[4] Journal of Chemical Theory and Computation 4 (2008)
1230.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>Interesting enough, one may also know that:<o:p></o:p></p>
<p class=MsoNormal>CUBLAS is an implementation of BLAS on top of GPU.<o:p></o:p></p>
<p class=MsoNormal>CUFFT is an implementation of FFT on top of GPU.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>You would also have a look at the following link:<o:p></o:p></p>
<p class=MsoNormal><a
href="http://pcquest.ciol.com/content/technology/2007/107031003.asp">http://pcquest.ciol.com/content/technology/2007/107031003.asp</a><o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>And do google search on GPU.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>Sincerely yours,<o:p></o:p></p>
<p class=MsoNormal>S. Jalali<o:p></o:p></p>
<p class=MsoNormal>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<o:p></o:p></p>
<p class=MsoNormal>Saeid Jalali Asadabadi,<o:p></o:p></p>
<p class=MsoNormal>Department of Physics, Faculty of Science,<o:p></o:p></p>
<p class=MsoNormal>University of Isfahan (UI), Hezar Gerib Avenue,<o:p></o:p></p>
<p class=MsoNormal>81744 Isfahan, Iran.<o:p></o:p></p>
<p class=MsoNormal>Phones:<o:p></o:p></p>
<p class=MsoNormal>Dep. of Phys. :+98-0311-793 2435<o:p></o:p></p>
<p class=MsoNormal>Office
:+98-0311-793 4176<o:p></o:p></p>
<p class=MsoNormal>Fax
No.
:+98-0311-793 2409<o:p></o:p></p>
<p class=MsoNormal>E-mail
:sjalali@phys.ui.ac.ir<o:p></o:p></p>
<p class=MsoNormal>
:sjalali@sci.ui.ac.ir<o:p></o:p></p>
<p class=MsoNormal>
:sjalali@mailaps.org<o:p></o:p></p>
<p class=MsoNormal>
:saeid.jalali.asadabadi@gmail.com<o:p></o:p></p>
<p class=MsoNormal>
:s_jalali_a@yahoo.com<o:p></o:p></p>
<p class=MsoNormal>Homepage
:http://sci.ui.ac.ir/~sjalali<o:p></o:p></p>
<p class=MsoNormal>www
:http://www.ui.ac.ir<o:p></o:p></p>
<p class=MsoNormal>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<o:p></o:p></p>
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