<div>Dear Dr. Saeid,</div>
<div>I really appreciate your statements on using the laptops for ab initio calculations. Please continue feeding such suggestions which is really helpful for people like us.</div>
<div>Regards,</div>
<div>R.K.Thapa</div>
<div>Mizoram University</div>
<div>INDIA</div>
<div>======================= <br><br></div>
<div class="gmail_quote">2010/10/15 Saeid Jalali <span dir="ltr"><<a href="mailto:sjalali@phys.ui.ac.ir">sjalali@phys.ui.ac.ir</a>></span><br>
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<p class="MsoNormal">Dear All,</p>
<p class="MsoNormal"> </p>
<p class="MsoNormal">Let us start with the following question. </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.</p>
<p class="MsoNormal"> </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?</p>
<p class="MsoNormal"> </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.</p>
<p class="MsoNormal"> </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.</p>
<p class="MsoNormal"> </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. </p>
<p class="MsoNormal"> </p>
<p class="MsoNormal">For more information see:</p>
<p class="MsoNormal">[1] Journal of Computational Physics 227 (2008) 5342.</p>
<p class="MsoNormal">[2] Computer Physics Communications 181, (2010) 1549.</p>
<p class="MsoNormal"> </p>
<p class="MsoNormal">DFT calculations:</p>
<p class="MsoNormal">[3] Journal of Chemical Physics 131 (2009) 034103.</p>
<p class="MsoNormal">[4] Journal of Chemical Theory and Computation 4 (2008) 1230.</p>
<p class="MsoNormal"> </p>
<p class="MsoNormal">Interesting enough, one may also know that:</p>
<p class="MsoNormal">CUBLAS is an implementation of BLAS on top of GPU.</p>
<p class="MsoNormal">CUFFT is an implementation of FFT on top of GPU.</p>
<p class="MsoNormal"> </p>
<p class="MsoNormal">You would also have a look at the following link:</p>
<p class="MsoNormal"><a href="http://pcquest.ciol.com/content/technology/2007/107031003.asp" target="_blank">http://pcquest.ciol.com/content/technology/2007/107031003.asp</a></p>
<p class="MsoNormal"> </p>
<p class="MsoNormal">And do google search on GPU.</p>
<p class="MsoNormal"> </p>
<p class="MsoNormal">Sincerely yours,</p>
<p class="MsoNormal">S. Jalali</p>
<p class="MsoNormal">/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/</p>
<p class="MsoNormal">Saeid Jalali Asadabadi,</p>
<p class="MsoNormal">Department of Physics, Faculty of Science,</p>
<p class="MsoNormal">University of Isfahan (UI), Hezar Gerib Avenue,</p>
<p class="MsoNormal">81744 Isfahan, Iran.</p>
<p class="MsoNormal">Phones:</p>
<p class="MsoNormal">Dep. of Phys. :+98-0311-793 2435</p>
<p class="MsoNormal">Office :+98-0311-793 4176</p>
<p class="MsoNormal">Fax No. :+98-0311-793 2409</p>
<p class="MsoNormal">E-mail :<a href="mailto:sjalali@phys.ui.ac.ir" target="_blank">sjalali@phys.ui.ac.ir</a></p>
<p class="MsoNormal"> :<a href="mailto:sjalali@sci.ui.ac.ir" target="_blank">sjalali@sci.ui.ac.ir</a></p>
<p class="MsoNormal"> :<a href="mailto:sjalali@mailaps.org" target="_blank">sjalali@mailaps.org</a></p>
<p class="MsoNormal"> :<a href="mailto:saeid.jalali.asadabadi@gmail.com" target="_blank">saeid.jalali.asadabadi@gmail.com</a></p>
<p class="MsoNormal"> :<a href="mailto:s_jalali_a@yahoo.com" target="_blank">s_jalali_a@yahoo.com</a></p>
<p class="MsoNormal">Homepage :<a href="http://sci.ui.ac.ir/~sjalali" target="_blank">http://sci.ui.ac.ir/~sjalali</a></p>
<p class="MsoNormal">www :<a href="http://www.ui.ac.ir/" target="_blank">http://www.ui.ac.ir</a></p>
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