Characteristic Science Applications for the Leadership Class Computing Facility

该项目的目标是选择、研究和转换一组特征科学应用（CSAs），以在NSF领导级计算设施（LCCF）上实现下一代科学。选择CSA来代表广泛的科学领域和计算方法，每个CSA将包含一个或多个计算机代码和一个要在LCCF上解决的挑战问题。一系列CSAs将使项目能够验证LCCF的设计，并验证该设施在建造时是否适用于由国家科学基金支持的广泛科学学科。此外，对csa中的代码和工作流进行的转换将提供最佳实践模型和实现范例，这些模型和范例将为培训材料、教程和其他教育内容提供信息。这将确保国家的科学和工程研究界从LCCF运作的第一天起就能有效地发挥作用。该项目计划评估广泛的科学应用和挑战问题，为计算机代码的转换奠定基础，以支持LCCF的广泛目标，即在NSF目前领先的计算资源Frontera的基础上，用10倍或更多的时间来解决性能改进问题。这种能力的提高将来自LCCF主要计算系统规模的增加、组成计算仪器的组件（节点上I/O带宽、节点间I/O带宽、磁盘和内存带宽、访问速度、内核等）能力的提高，以及构成用于演示十倍性能提高的科学应用程序集的软件代码的改进。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

The goal of this project is to select, study, and transform a set of Characteristic Science Applications (CSAs) to enable next-generation science on the NSF Leadership-Class Computing Facility (LCCF). The CSAs were chosen to represent a broad range of science domains and computational approaches, and each CSA will comprise one or more computer codes and a challenge problem to be solved on the LCCF. The set of CSAs will enable the project to verify the design of the LCCF and validate that the facility is applicable across the broad range of science disciplines supported by the NSF when it is constructed. Furthermore, the transformations made to the codes and workflows in the CSAs will provide best practice models and implementation exemplars that will inform training materials, tutorials, and other educational content. This will ensure that the nation's science and engineering research community will be effective on the LCCF from day one of operations.The project plans to evaluate a broad selection of science applications and challenge problems, laying the foundations for a transformation of the computer codes in a way that will support the LCCF broad goal of enabling a ten-fold or more time to solution performance improvement over NSF's current leadership computing resource, Frontera. This capability improvement will come from a combination of increased scale of the LCCF primary computing system(s), increased capabilities of the components (on-node I/O bandwidth, inter-node I/O bandwidth, disk and memory bandwidth, access speed, cores, etc.) that make up the computing instrument, and improvements in the software codes that make up the set of science applications used to demonstration ten-fold performance improvement.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.