Method for calculating particles on GPU by utilizing multi-body interaction model

A technology of action models and particles, applied in the direction of processor architecture/configuration, etc., can solve problems such as inability to read and write, and achieve the effect of improving computing efficiency, facilitating program development, and speeding up computing efficiency

Inactive Publication Date: 2010-03-31
INST OF PROCESS ENG CHINESE ACAD OF SCI
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  • Abstract
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  • Claims
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Problems solved by technology

However, since the calculation thread on the graphics processing unit (GPU) processes all the particles in the system in parallel at the same time, when a certain threa

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  • Method for calculating particles on GPU by utilizing multi-body interaction model
  • Method for calculating particles on GPU by utilizing multi-body interaction model
  • Method for calculating particles on GPU by utilizing multi-body interaction model

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Embodiment Construction

[0044] The present invention will be described below in conjunction with the accompanying drawings and specific embodiments.

[0045] In one embodiment, the atomic simulation of the single crystal silicon system is realized by using the Tersoff many-body interaction model on a computer loaded with a graphics processing unit GPU. In this embodiment, the GPU adopted by the computer system has the following configuration: integrated 128 computing cores, including 1.6G bytes of global memory (Global Memory), 64K bytes of constant memory (Constant Memory), and shared memory ( Shared Memory) and texture memory (Texture Memory), through the CUDA (Compute Unified Device Architecture) compilation environment to control the computing behavior on the graphics processing unit GPU.

[0046] The Tersoff multi-body interaction model involved in this embodiment is the prior art. For the convenience of understanding and the needs of the description below, the Tersoff multi-body interaction mod...

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Abstract

The invention provides a method for calculating particles on a GPU by utilizing a multi-body interaction model, comprising the following steps: storing the attribute information of particles in a particle system and labeling information of an adjacent particle of each particle to a system memory on a computer loaded with the GPU; transmitting the attribute information and the labeling informationto a global memory of the GPU; opening up a storage array for the acting force applied by each particle to the adjacent particle thereof in the global memory; distributing an individual calculation threading in the GPU for each particle; taking down all stresses of the particles calculated in the threading according to the established multi-body interaction model between the particles; simultaneously storing the stress of each particle to the adjacent particle thereof; reading in the stress of the stored adjacent particle of each particle from the global memory; adding the stresses to the particles with corresponding labels to obtain completed acting force to the particles; and calculating potential energy of each particle on the GPU, outputting the results to the system memory, and carrying out statistics and calculation on the average potential energy of a single particle by CPU.

Description

technical field [0001] The invention relates to particle calculation, in particular to a method for particle calculation using a multi-body action model on a GPU. Background technique [0002] The calculation of many-body interaction widely exists in many fields such as materials, chemistry, biology, and astrophysics. In materials science, the calculation of many-body interactions is a typical application of atomic simulation of materials. The material atom simulation mentioned above is a research method of material calculation. This simulation method studies some properties of matter by studying the motion changes of each atom in the system. In the prior art, there are many methods for atomically simulating matter, for example, the ab initio algorithm (abinitio) in quantum mechanics, the embedded atom method EAM (Embeded Atom Method), the molecular dynamics (Molucular Dynamics, MD) simulation method ( Such as LJ (Lennard-Jones) potential function, Morse potential function...

Claims

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Application Information

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IPC IPC(8): G06T1/20
Inventor 侯超峰陈飞国葛蔚李静海
Owner INST OF PROCESS ENG CHINESE ACAD OF SCI
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