Method for quickening solving of mesoscopic scale physical problem by using graphic processing unit (GPU)

A problem-solving and systematic technology, applied in the field of high-performance computing, can solve problems such as cost and heavy initialization of Hamiltonian matrix, and achieve the effect of simple algorithm, easy implementation and expansion, and accelerated solution speed

Active Publication Date: 2012-09-12
LANGCHAO ELECTRONIC INFORMATION IND CO LTD
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Problems solved by technology

In order to make the calculation results as accurate as possible or to meet the needs of the calculation system, a large number of base vectors (set as M) are often required in practice, but as the number of base vectors increases, the s

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  • Method for quickening solving of mesoscopic scale physical problem by using graphic processing unit (GPU)
  • Method for quickening solving of mesoscopic scale physical problem by using graphic processing unit (GPU)
  • Method for quickening solving of mesoscopic scale physical problem by using graphic processing unit (GPU)

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[0034] In order to clarify the objectives, technical solutions and advantages of the present invention, the key steps in the present invention will be described in detail in conjunction with the accompanying drawings.

[0035] as attached figure 1 As shown, the corresponding relationship between the problem space involved in the present invention and the calculation thread in the GPU is given. In general, using Legendre ( ), Bezier ( ) or Laguerre ( ) polynomial as basis vector Containing at least two indicators n, m requires all instances, so each Hamiltonian matrix element Contains four index dimensions, so it can be considered that the problem space of the mesoscopic system is four-dimensional. We take the Hamiltonian matrix element constitute our problem space.

[0036] According to the current CUDA architecture, the thread space of the GPU is divided into a triple structure of grid, block and thread. For simplicity, the (q, p) variables of the problem space ca...

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Abstract

The invention provides a method for quickening solving of a mesoscopic scale physical problem by using a graphic processing unit (GPU). The method fully uses characteristics of a many-core processor such as superstrong floating-point calculation capacity and large memory bandwidth owned by the GPU, Hamiltonian matrix initialization calculating work occupying the longest machine hours in mesoscopic scale problem solving is processed by the GPU in assisted mode, traditional matrix diagonalization work is still finished by a central processing unit (CPU) good in serial calculating capacity, and quickening of the mesoscopic scale physical problem solving is achieved. In a calculating process, users use characteristics that Hamiltonian matrix element calculation is independent relatively, simple mapping from a problem space to a GPU thread space is achieved, and therefore usability and high expandability of an algorithm are guaranteed.

Description

technical field [0001] The present invention relates to the application of computational physics and nano-material science in the field of high-performance computing, and specifically relates to a method of using GPU to accelerate large-scale Hamiltonian matrix initialization calculations in the solution of mesoscopic system physics problems to solve micro, Nanoelectronic Structure Methods. Specifically, it is a method of using GPU to accelerate the solution of quantum mesoscopic system. Background technique [0002] With the continuous progress of human society and the development of science and technology, people's understanding of nature has become more and more extensive, and gradually deepened into physical systems such as micro and nano. At the same time, the needs of biotechnology, chemical production and pharmaceuticals also urgently require people to accurately grasp the properties of objects at the electronic, atomic or molecular scale, so the study of mesoscopic ...

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Application Information

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IPC IPC(8): G06F17/50
Inventor 刘羽
Owner LANGCHAO ELECTRONIC INFORMATION IND CO LTD
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