Collaborative Research: SI2-SSE: Software for integral equation solvers on manycore and heterogeneous architectures

合作研究：SI2-SSE：多核和异构架构上的积分方程求解器软件

• 批准号: 1047980
• 负责人: George Biros
• 金额: $ 25万
• 依托单位: Georgia Tech Research Corporation
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-09-15 至 2012-11-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1047980&HistoricalAwards=false
• 关键词: Collaborative; Research; SI2; SSE; Software

We propose to develop and deploy mathematical software for boundary-value problems in three-dimensional complex geometries. The algorithms in the library will be based on integral equation formulations. The library will be designed to scale on novel computing platforms that comprise special accelerators and manycore architectures. Integral equations can be used to conduct simulations on many problems in science and engineering with significant societal impact. Three example applications on which the proposed simulation technologies will have an impact in this project are microfluidic chips, biomolecular electrostatics, and plasma physics. First, microfluidic chips are submillimeter-sized devices used for medical diagnosis and drug design. Optimizing the function of such devices at low cost requires efficient computer simulation tools, such as the ones we propose to develop. Second, understanding the structure and function of biomolecules such as DNA and proteins is crucial in biotechnology. The proposed technologies can be used to resolve bimolecular electrostatic interactions. Third, plasma physics, which is related to fusion nuclear reactors, includes electrostatic interactions in complex geometries, and the proposed work will enable large-scale three-dimensional simulations. The key features of the proposed software are: (1) parallel fast multipole methods, (2) efficient geometric modeling techniques for complex geometries, (3) simple library interfaces that allow use of the proposed software by non-experts, and (4) scalability on heterogeneous architectures.Along with our research activities, an educational and dissemination program will be designed to communicate the results of this work to students and researchers. Several postdoctoral, graduate, and undergraduate students will be involved with the project. Additional educational activities will include research experiences for undergraduates, leveraging ongoing programs such as NSF REUs. We will encourage participation by women, minorities, and underrepresented groups.

我们建议开发和部署用于三维复杂几何中的边值问题的数学软件。 库中的算法将基于积分方程公式。 该库将设计为在包含特殊加速器和众核架构的新型计算平台上进行扩展。积分方程可用于对具有重大社会影响的科学和工程中的许多问题进行模拟。 所提出的模拟技术将在该项目中产生影响的三个示例应用是微流体芯片、生物分子静电学和等离子体物理学。 首先，微流控芯片是用于医疗诊断和药物设计的亚毫米尺寸设备。 以低成本优化此类设备的功能需要高效的计算机模拟工具，例如我们建议开发的工具。 其次，了解 DNA 和蛋白质等生物分子的结构和功能对于生物技术至关重要。 所提出的技术可用于解决双分子静电相互作用。 第三，与聚变核反应堆相关的等离子体物理学包括复杂几何形状中的静电相互作用，拟议的工作将实现大规模三维模拟。所提出软件的主要特点是：（1）并行快速多极方法，（2）复杂几何形状的高效几何建模技术，（3）简单的库接口，允许非专家使用所提出的软件，（4）异构架构上的可扩展性。随着我们的研究活动，我们将设计一个教育和传播计划，以向学生和研究人员传达这项工作的结果。 几名博士后、研究生和本科生将参与该项目。 其他教育活动将包括利用 NSF REU 等正在进行的项目为本科生提供研究经验。 我们将鼓励妇女、少数族裔和代表性不足的群体参与。