Collaborative Research: SI2-SSE: WRENCH: A Simulation Workbench for Scientific Worflow Users, Developers, and Researchers

协作研究：SI2-SSE：WRENCH：面向科学 Worflow 用户、开发人员和研究人员的模拟工作台

• 批准号: 1642369
• 负责人: Henri Casanova
• 金额: $ 25.8万
• 依托单位: University of Hawaii
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2017
• 资助国家: 美国
• 起止时间: 2017-01-01 至 2019-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1642369&HistoricalAwards=false
• 关键词: Collaborative; Research; SI2; SSE; WRENCH

Many scientific breakthroughs can only be achieved by performing complex processing of vast amounts of data efficiently. In domains as crucial to our society as climate modeling, oceanography, particle physics, seismology, or computational biology (and in fact in most fields of physics, chemistry, and biology today), scientists nowadays routinely define "scientific workflows". These workflows are complex descriptions of scientific processes as data and inter-dependent computations on these data. When executed, typically with great expenses of computing, storage, and networking hardware, these workflows can produce groundbreaking results. A famous and recent example is the workflow that was used as part of the LIGO project to confirm the first detection of gravitational waves from colliding black holes. Scientific workflows are mainstays in today's science. Their efficient execution (in terms of speed, reliability, and cost) is thus crucial. This project seeks to provide a software framework, called WRENCH (Workflow Simulation Workbench), that will make it possible to simulate large-scale hypothetical scenarios quickly and accurately on a single computer, obviating the need for expensive and time-consuming trial and error experiments. WRENCH potentially enables scientists to make quick and informed choices when executing their workflows, software developers to implement more efficient software infrastructures to support workflows, and researchers to develop novel efficient algorithms to be embedded within these software infrastructures. In addition, WRENCH makes it possible to bring scientific workflow content into undergraduate and graduate computer science curricula. This is because meaningful knowledge can be gained by students using a single computer and the WRENCH software stack, making such learning possible even at institutions without access to high-end computing infrastructures, such as many non-Ph.D.-granting and minority-serving institutions. As a result, this work will contribute to producing computer science graduates better equipped to take an active role in the advancing of science. Due to its potentially transformative impact on scientific workflow usage, development, research, and education, this project promises to promote the progress of science across virtually all its fields, ultimately resulting in broad and numerous benefits to our society.Scientific workflows have become mainstream for conducting large-scale scientific research. As a result, many workflow applications and Workflow Management Systems (WMSs) have been developed as part of the cyberinfrastructure to allow scientists to execute their applications seamlessly on a range of distributed platforms. In spite of many success stories, building large-scale workflows and orchestrating their executions efficiently (in terms of performance, reliability, and cost) remains a challenge given the complexity of the workflows themselves and the complexity of the underlying execution platforms. A fundamental necessary next step is the establishment of a solid "experimental science" approach for future workflow technology development. Such an approach is useful for scientists who need to design workflows and pick execution platforms, for WMS developers who need to compare alternate design and implementation options, and for researchers who need to develop novel decision-making algorithms to be implemented as part of WMSs. The broad objective of this work is to provide foundational software, the Workflow Simulation Workbench (WRENCH), upon which to develop the above experimental science approach. Capitalizing on recent advances in distributed application and platform simulation technology, WRENCH makes it possible to (i) quickly prototype workflow, WMS implementations, and decision-making algorithms; and (ii) evaluate/compare alternative options scalably and accurately for arbitrary, and often hypothetical, experimental scenarios. This project will define a generic and foundational software architecture, that is informed by current state-of-the-art WMS designs and planned future designs. The implementation of the components in this architecture when taken together form a generic "scientific instrument" that can be used by workflow users, developers, and researchers. This scientific instrument will be instantiated for several real-world WMSs and used for a range of real-world workflow applications. In a particular case-study, it will be used with a popular WMS (Pegasus) to revisit published results and scheduling algorithms in the area of workflow planning optimizations. The objective is to demonstrate the benefit of using an experimental science approach for WMS research. Another impact of this project is that it makes it possible to include scientific workflow content pervasively in undergraduate and graduate computer science curricula, even for students without any access to computing infrastructure, by defining meaningful pedagogic activities that only require a computer and the WRENCH software stack. This educational impact will be demonstrated in the classroom in both undergraduate and graduate courses at our institutions.

许多科学突破只能通过高效地对海量数据进行复杂处理来实现。在气候建模、海洋学、粒子物理学、地震学或计算生物学等对我们社会至关重要的领域(事实上，在当今的大多数物理、化学和生物学领域)，科学家们如今经常定义“科学工作流”。这些工作流是对科学过程的复杂描述，如数据和对这些数据的相互依赖的计算。当执行这些工作流时，通常会花费大量的计算、存储和网络硬件，从而产生突破性的结果。一个著名的和最近的例子是作为LIGO项目的一部分使用的工作流程，以确认首次探测到来自碰撞黑洞的引力波。科学工作流程是当今科学的中流砥柱。因此，它们的高效执行(在速度、可靠性和成本方面)至关重要。该项目致力于提供一个软件框架，称为WRANCE(工作流模拟工作台)，它将使在一台计算机上快速、准确地模拟大规模假设场景成为可能，从而消除昂贵且耗时的试错实验的需要。扳手可能使科学家能够在执行其工作流程时做出快速和明智的选择，软件开发人员可以实施更高效的软件基础设施来支持工作流程，研究人员可以开发新的高效算法嵌入到这些软件基础设施中。此外，扳手可以将科学的工作流程内容引入本科生和研究生的计算机科学课程。这是因为学生可以使用一台计算机和扳手软件栈获得有意义的知识，即使在没有高端计算基础设施的机构，如许多非授予博士学位的机构和为少数群体服务的机构，这种学习也是可能的。因此，这项工作将有助于培养出更好地为科学进步发挥积极作用的计算机科学毕业生。由于其对科学工作流使用、开发、研究和教育的潜在变革性影响，该项目承诺促进几乎所有领域的科学进步，最终为我们的社会带来广泛和众多的好处。科学工作流已成为开展大规模科学研究的主流。因此，许多工作流应用程序和工作流管理系统(WMS)被开发为网络基础设施的一部分，以允许科学家在一系列分布式平台上无缝地执行他们的应用程序。尽管有许多成功的案例，但考虑到工作流本身的复杂性和底层执行平台的复杂性，构建大规模工作流并高效地协调其执行(在性能、可靠性和成本方面)仍然是一项挑战。下一步必须采取的一个基本步骤是为未来的工作流技术开发建立一个坚实的“实验科学”方法。这种方法对于需要设计工作流和选择执行平台的科学家、需要比较备选设计和实现选项的WMS开发人员以及需要开发作为WMS一部分实现的新决策算法的研究人员都很有用。这项工作的广泛目标是提供基础软件工作流模拟工作台(扳手)，在此基础上开发上述实验科学方法。利用分布式应用程序和平台模拟技术的最新进展，WRANCH使其能够(I)快速构建工作流、WMS实施和决策算法的原型；以及(Ii)针对任意且通常是假设的实验场景，可扩展地、准确地评估/比较备选方案。这个项目将定义一个通用的和基础的软件体系结构，该体系结构由当前最先进的WMS设计和规划的未来设计提供信息。该体系结构中的组件的实现结合在一起形成了一个通用的“科学仪器”，可供工作流用户、开发人员和研究人员使用。这个科学仪器将被实例化用于几个真实世界的WMS，并用于一系列真实世界的工作流应用程序。在一个特定的案例研究中，它将与流行的工作流管理系统(Pegasus)一起使用，以重新审视工作流规划优化领域中已发表的结果和调度算法。其目的是展示使用实验科学方法进行WMS研究的好处。这个项目的另一个影响是，通过定义只需要一台计算机和扳手软件堆栈的有意义的教学活动，它使在本科生和研究生的计算机科学课程中普遍包含科学工作流程内容成为可能，即使对于没有任何计算基础设施的学生也是如此。这一教育影响将在我们各机构的本科生和研究生课程的课堂上得到展示。

项目成果

Checkpointing Workflows for Fail-Stop Errors

• DOI: 10.1109/cluster.2017.14
• 发表时间: 2017-09
• 期刊: 2017 IEEE International Conference on Cluster Computing (CLUSTER)
• 作者: Li Han;Louis-Claude Canon;H. Casanova;Y. Robert;F. Vivien

WRENCH: Workflow Management System Simulation Workbench

WRENCH：工作流程管理系统模拟工作台

• 发表时间: 2018
• 期刊: Workshop on Workflows in Support of Large-Scale Science
• 作者: Casanova, H;Pandey, S;Oeth, J.;Tanaka, R.;Suter, F.;Ferreira da Silva, R.
• 通讯作者: Ferreira da Silva, R.

SMPI Courseware: Teaching Distributed-Memory Computing with MPI in Simulation

SMPI 课件：在仿真中使用 MPI 教授分布式内存计算

• 发表时间: 2018
• 期刊: Proceedings of EduHPC
• 作者: Casanova, H.;Quinson, M.;Legrand, A.;Suter, F.
• 通讯作者: Suter, F.

Computing the expected makespan of task graphs in the presence of silent errors

在存在无提示错误的情况下计算任务图的预期完工时间

• DOI: 10.1016/j.parco.2018.03.004
• 发表时间: 2018
• 期刊: Parallel Computing
• 影响因子: 1.4
• 作者: Casanova, Henri;Herrmann, Julien;Robert, Yves
• 通讯作者: Robert, Yves

Teaching parallel and distributed computing concepts in simulation with WRENCH

使用 WRENCH 进行模拟教学并行和分布式计算概念

• DOI: 10.1016/j.jpdc.2021.05.009
• 发表时间: 2021
• 期刊: Journal of Parallel and Distributed Computing
• 影响因子: 3.8
• 作者: Casanova, Henri;Tanaka, Ryan;Koch, William;Ferreira da Silva, Rafael
• 通讯作者: Ferreira da Silva, Rafael