Collaborative Research: SI2-SSI: Swift/E: Integrating Parallel Scripted Workflow into the Scientific Software Ecosystem

科学和工程研究越来越依赖于重复执行一系列复杂的步骤（即，工作流程）来形成假设;进行实验;分析结果;并完善理论。 计算在整个工作流程中通常是必不可少的，在这种情况下，软件可以通过管理计算和数据工作流程来提高生产力。 Swift就是这样一个开源工作流系统，它已经被开发并广泛应用于从材料模拟和气候建模到神经科学和基因组学的各个领域。该项目通过将Swift与其他软件系统集成来扩展Swift的功能，从而实现协作，可用性，可维护性和生产力。新的生态系统Swift/E将使科学家和工程师能够更高效地创建和运行更大规模的计算工作流活动，并比迄今为止更快、更容易地调试、执行、调整和传播它们。这些工作流程体现并传达了特定于每个科学探究领域的计算方法。Swift/E通过研究、教育和软件传播的综合计划，为大型用户社区实现社区参与度和广泛的生产力效益。该项目通过创建用于构建和共享可重用工作流库的实践模式，并通过培训学生，教育工作者和研究人员使用它们来参与和服务科学和工程社区。 为了促进下一代受过计算训练的科学家的教育，Swift/E为NSF支持的“电子实验室”网络提供动力，这些实验室在高中和本科阶段教授协作并行计算科学的概念，每年有超过1000名学生参与。开源Swift/E“生态系统”Swift将Swift与在当今国家和全球网络基础设施中发挥重要作用的几个科学软件元素相结合。这些要素是：Swift用于科学工作流的并行脚本编写; Globus用于数据编目、管理和高速广域传输;基于Web的Galaxy工作流门户用于工作流组成、执行和协作共享; Swift用于高级编程和工作流语言的交互式开发、测试、调试和组装; Python和R用于高效表达高级计算逻辑;和“git”以及相关工具和Web门户，用于版本控制、代码分发和共享，以及开发人员的协作参与。 Swift的隐式并行编程语言是最小和紧凑的。 Swift提供了一个将其他脚本语言（目前是Python、R、Julia和Tcl）嵌入其运行时环境的工具。 该项目将新的极端规模的“Swift/T”功能与灵活和可移植的原始“Swift/K”版本合并，使核心Swift/E软件元素更加强大和灵活，同时降低它？的持续支持成本。Swift/E通过扩展Swift的故障排除和跨语言集成功能来增强可用性。 通过增强和创新的工作流程共享档案、新的培训材料以及持续的用户支持和自我维持和扩大社区参与计划，Swift/E项目吸引、支持和维持了庞大的全球科学和工程用户群。

Science and engineering research increasingly relies on repeated execution of a complex series of steps (i.e., workflows) to form hypotheses; conduct experiments; analyze results; and refine theory. Computation is often essential throughout the workflow and in this case, software can improve productivity by managing the computational and data workflow. Swift is one such open-source workflow system that has been developed and widely used in diverse areas ranging from materials simulations and climate modeling to neuroscience and genomics. This project extends the capabilities of Swift by integrating it with other software systems that enable collaboration, usability, maintainability, and productivity. The new ecosystem, Swift/E, will enable scientists and engineers to more productively create and run computational workflow campaigns of larger scale, and debug, execute, adapt, and disseminate them faster and easier than has been possible to date. These workflows embody and communicate the computational methods specific to each domain of scientific inquiry. Swift/E achieves community engagement and extensive productivity benefits for a large user community through an integrated program of research, education, and software dissemination. The project engages and serves science and engineering communities by creating patterns of practice for building and sharing reusable workflow libraries, and by training students, educators, and researchers in their use. To advance the education of the next generation of computationally trained scientists, Swift/E powers a network of NSF-supported "e-Labs" that teach the concepts of collaborative parallel computational science at high school and undergraduate levels, reaching over a thousand students annually.The open-source Swift/E "ecosystem" integrates Swift with several scientific software elements that play a major role in the national and global cyberinfrastructure of today. These elements are: Swift for the parallel scripting of scientific workflow; Globus for data cataloging, management, and high-speed wide-area transport; the Web-based Galaxy workflow portal for workflow composition, execution, and collaborative sharing; Jupyter for the interactive development, testing, debugging, and assembly of high level programming and workflow languages; Python and R for productively expressing high-level computational logic; and "git" and related tools and Web portals for revision control, code dissemination and sharing, and for the collaborative engagement of developers. Swift's implicitly parallel programming language is minimal and compact. Swift provides a facility for embedding other scripting languages (currently Python, R, Julia and Tcl) into its runtime environment. This project merges newer extreme-scale "Swift/T" capabilities with the flexible and portable original "Swift/K" version to make the core Swift/E software element more powerful and flexible while lowering it?s ongoing support cost. Swift/E enhances usability by extending Swift's troubleshooting and inter-language integration facilities. And with enhanced and innovative workflow sharing archives, new training materials, and a sustained program for user support and self-sustaining and expanding community engagement, the Swift/E project engages, supports, and sustains a large global science and engineering user base.