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

[Dr. Manish K. Kashyap]

On 10/16/10, Ramkumar Thapa <r.k.thapa at gmail.com> wrote:
> 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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>>
>