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粒子模拟是目前化工、材料、生物等领域重要的研究手段之一。随着计算机软硬件的发展和大规模并行集群的出现,可模拟的粒子规模越来越大,模拟对象也越来越复杂。前处理是粒子模拟初始数据的生成环节,它负责将模拟对象转化为粒子系统,并按照模拟算例需求,将粒子数据输出为文件。前处理是连接模拟对象和模拟计算的纽带,是粒子模拟过程中关键的一步。本文提出的设计方案是首先使用BRLCAD建立模拟对象的三维模型,然后将三维模型转换为空间枚举,接着在空间枚举的规则块中填充粒子,同时通过使用元胞法检测粒子之间的冲突来保证粒子的合法性,最后根据粒子的类型和位置计算粒子的物性并将粒子数据输出到文件。本文根据该设计方案结合MPI并行计算技术,实现了大规模粒子模拟并行前处理系统,并进行了一系列的测试证明了该系统的实用性和可靠性。
Particle simulation is currently one of the important research methods in the fields of chemical industry, materials and biology. With the development of computer hardware and software and the emergence of large-scale parallel clusters, the size of particles that can be simulated increases and the simulation objects become more and more complex. Preprocessing is the generation of particle simulation initial data. It is responsible for converting the simulation object into a particle system and outputting the particle data as a file according to the simulation example requirement. Preprocessing is a link between the simulation object and the simulation and is a key step in particle simulation. In this paper, the design scheme is to use BRLCAD to build the 3D model of the simulation object first, then to convert the 3D model into the space enumeration, and then to fill the rules blocks in the space enumeration, and to detect the conflicts among the particles by using the cellular method To ensure the legitimacy of particles, and finally calculate the particle’s physical properties according to the type and location of particles and output the particle data to the file. According to the design scheme and MPI parallel computing technology, this paper realizes a large-scale particle simulation parallel preprocessing system and carries out a series of tests to prove its practicability and reliability.