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Applying the CHAOS/PARTI library to irregular problems in computational chemistry and computational aerodynamics

机译:将CHAOS / PARTI库应用于计算化学和计算空气动力学中的不规则问题

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This paper describes a number of optimizations that can be used to support the efficient execution of irregular problems on distributed memory parallel machines. We describe software primitives that (1) coordinate interprocessor data movement, (2) manage the storage of, and access to, copies of off-processor data, (3) minimize interprocessor communication requirements and (4) support a shared name space. The performance of the primitives is characterized by examination of kernels from real applications and from a full implementation of a large unstructured adaptive application (the molecular dynamics code CHARMM).
机译:本文介绍了许多可用于支持在分布式内存并行机上有效执行不规则问题的优化。我们描述了以下软件原语:(1)协调处理器间的数据移动;(2)管理处理器外数据的副本的存储和访问;(3)最小化处理器间的通信需求;(4)支持共享名称空间。基元的性能以检查实际应用程序中的内核以及大型非结构化自适应应用程序(分子动力学代码CHARMM)的完整实现为特征。

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