Sims James S, Martys Nicos
National Institute of Standards and Technology, Gaithersburg, MD 20899-8911.
J Res Natl Inst Stand Technol. 2004 Apr 1;109(2):267-77. doi: 10.6028/jres.109.017. Print 2004 Mar-Apr.
A parallel quaternion-based dissipative particle dynamics (QDPD) program has been developed in Fortran to study the flow properties of complex fluids subject to shear. The parallelization allows for simulations of greater size and complexity and is accomplished with a parallel link-cell spatial (domain) decomposition using MPI. The technique has novel features arising from the DPD formalism, the use of rigid body inclusions spread across processors, and a sheared boundary condition. A detailed discussion of our implementation is presented, along with results on two distributed memory architectures. A parallel speedup of 24.19 was obtained for a benchmark calculation on 27 processors of a distributed memory cluster.
已用Fortran语言开发了一个基于平行四元数的耗散粒子动力学（QDPD）程序，用于研究受剪切作用的复杂流体的流动特性。并行化使得能够模拟更大规模和更复杂的情况，它是通过使用MPI的并行链接单元空间（域）分解来实现的。该技术具有一些新颖的特性，这些特性源于DPD形式体系、跨处理器分布的刚体内含物的使用以及剪切边界条件。本文详细讨论了我们的实现方法，以及在两种分布式内存架构上的结果。在分布式内存集群的27个处理器上进行基准计算时，获得了24.19的并行加速比。
