Collaborative Research: SI2-SSI: Task-Based Environment for Scientific Simulation at Extreme Scale (TESSE)

这个名为Tesse的项目正在开发新一代编程环境，该环境独特地满足了化学和其他领域新兴计算模型的需求，并允许这些模型从未来的计算机硬件中获益。因此，该项目将进一步提高预测物质性质和设计对美国技术领先地位和能源安全具有重要意义的物质转变的能力。Tesse的影响包括科学、网络基础设施和跨学科教育方面。Tesse有助于承载广泛使用的科学应用程序(NWChem、Madness、MPQC等)整合到全新一代的多核加速架构中，同时显著提高程序员的工作效率。在网络基础设施方面，Tesse的PARSEC运行时系统提供了许多库和高级应用程序在大规模和混合系统上的高性能所需的功能。该项目的目标是通过化学和其他学科中的大量科学模拟来设计和演示一个原型软件框架，该框架为新兴的大规模并行、混合、多核系统上的高级科学应用程序的可移植性能和程序员生产力这两个问题提供开创性的响应。Tesse将为新一代科学代码创建一个可行的基础，该代码能够更快地探索新的物理模型，通过有向无环图(DAG)调度和自动调整内核提供极大的增强的性能可移植性，并通过兼容的运行时和数据结构努力实现主要化学包之间的完全互操作性。Tesse将成熟成为一个标准的、广泛可用的、基于社区的、广泛适用的并行编程环境，与MPI/OpenMP相辅相成。这是因为现有主流编程模型普遍存在的缺陷，以及现有的基于DAG的运行时已经取得的巨大成功，这些运行时是NSF和DOE支持(SCA)的下一代LAPACK高性能线性代数库的基础。

This project, TESSE, is developing a new-generation programming environment that uniquely address the needs of emerging computational models in chemistry and other fields, and allowing these models to reap the benefits of the computer hardware of tomorrow. The project thus is bringing closer the ability to predict properties of matter and design matter transformations of importance to the technological leadership and energy security of the US. TESSE's impact has scientific, cyberinfrastructure, and interdisciplinary educational aspects. TESSE helps carry widely used scientific applications (NWChem, MADNESS, MPQC, etc.) into a whole new generation of many-core and accelerated architectures, while at the same time dramatically improving programmer productivity. In terms of cyberinfrastructure, TESSE's PaRSEC runtime system delivers capabilities that many libraries and advanced applications will require for high performance on large scale and hybridized systems.The goals of this project, Task-based Environment for Scientific Simulation at Extreme Scale (TESSE), are to design and demonstrate via substantial scientific simulations within chemistry and other disciplines a prototype software framework that provides a groundbreaking response to the twin problems of portable performance and programmer productivity for advanced scientific applications on emerging massively-parallel, hybrid, many-core systems. TESSE will create a viable foundation for a new generation of science codes, one which enables even more rapid exploration of new physical models, provides greatly enhanced performance portability through directed acyclic graph (DAG) scheduling and auto-tuned kernels, and works towards full interoperability between major chemistry packages through compatible runtimes and data structures. TESSE will mature to become a standard, widely available, community-based and broadly-applicable parallel programming environment complementing and rivaling MPI/OpenMP. This is needed due to the widely appreciated shortfalls of existing mainstream programming models and the already huge successes of the existing DAG-based runtimes that are the foundation of the next generation of NSF- and DOE-supported (Sca)LAPACK high-performance linear algebra libraries.