[Wien] laptop can work faster than a typical good cluster!

[Ramkumar Thapa]

Dear Dr. Saeid,
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.
Regards,
R.K.Thapa
Mizoram University
INDIA
=======================

2010/10/15 Saeid Jalali <sjalali at phys.ui.ac.ir>

>  Dear All,
>
>
>
> Let us start with the following question.
>
> Although this question and its answer may be trivial for authors and
> experts, but it may be interesting for many of us.
>
>
>
> 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?
>
>
>
> The answer surprisingly can be positive, if the authors enable the wien2k
> code to use the graphics processing units (GPU) technology.
>
>
>
> 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.
>
>
>
> 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.
>
>
>
> For more information see:
>
> [1] Journal of Computational Physics 227 (2008) 5342.
>
> [2] Computer Physics Communications 181, (2010) 1549.
>
>
>
> DFT calculations:
>
> [3] Journal of Chemical Physics 131 (2009) 034103.
>
> [4] Journal of Chemical Theory and Computation 4 (2008) 1230.
>
>
>
> Interesting enough, one may also know that:
>
> CUBLAS is an implementation of BLAS on top of GPU.
>
> CUFFT  is an implementation of FFT on top of GPU.
>
>
>
> You would also have a look at the following link:
>
> http://pcquest.ciol.com/content/technology/2007/107031003.asp
>
>
>
> And do google search on GPU.
>
>
>
> Sincerely yours,
>
> S. Jalali
>
> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
>
> Saeid Jalali Asadabadi,
>
> Department of Physics, Faculty of Science,
>
> University of Isfahan (UI), Hezar Gerib Avenue,
>
> 81744 Isfahan, Iran.
>
> Phones:
>
> Dep. of Phys.   :+98-0311-793 2435
>
> Office                  :+98-0311-793 4176
>
> Fax No.                :+98-0311-793 2409
>
> E-mail                  :sjalali at phys.ui.ac.ir
>
>                                :sjalali at sci.ui.ac.ir
>
>                                :sjalali at mailaps.org
>
>                                 :saeid.jalali.asadabadi at gmail.com
>
>                                 :s_jalali_a at yahoo.com
>
> Homepage          :http://sci.ui.ac.ir/~sjalali
>
> www                      :http://www.ui.ac.ir
>
> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
>
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>
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