Exploring Cloud Paradigm and Practices for Science and Engineering

云抽象和基础设施正迅速成为高级研究网络基础设施(ACI)的一部分，为科学探索和发现提供可行的平台。因此，了解新兴的数据和计算密集型应用程序工作流如何有效地利用集成云抽象和服务的混合ACI，以及这种混合ACI如何支持科学和工程领域的新范式和实践，这一点非常重要。这份渴望探索的创新科学和工程应用配方是由包括云和HPC资源的混合联合ACI实现的，以及对这些新应用配方的编程和中间件支持。具体地说，该项目侧重于三个关键研究主题：(1)应用程序制定；(2)编程模型、抽象和系统；(3)中间件堆栈和管理服务，并探索两个应用用例--(I)基于集合卡尔曼滤波(EnKF)的油藏建模应用程序；(Ii)使用异步副本交换的分子动力学模拟。在每个使用案例中，活动都会探索如何利用联合ACI中的资源和服务提供的功能来优化科学时间、科学成本和/或科学能量等指标。云服务是NSF ACI愿景中不可或缺的一部分。云还迅速成为可用于科学和工程应用的ACI的组成部分，并提供可对一系列应用产生重大影响的补充功能。因此，这项研究可以通过确定能够有效利用混合ACI来加速科学的新范式和实践，对不同的应用领域产生重大影响。此外，这项研究的结果将为资源提供者提供信息，说明如何最好地满足科学和工程应用的需求，以及当前的ACI如何实现更广泛的可及性和更高的效率和生产率。人力资源的开发，包括对学生、研究人员和软件专业人员的培训，以及与少数群体和任职人数不足的群体的接触，是这项努力的所有方面不可或缺的一部分。

Clouds abstractions and infrastructure are rapidly becoming part of the advanced research cyber-infrastructure (ACI) providing viable platforms for scientific exploration and discovery. As a result, it is important to understand how emerging data and compute intensive application workflows can effectively utilize a hybrid ACI integrating Cloud abstractions and services, and how such a hybrid ACI can enable new paradigms and practices in science and engineering. This EAGER explores innovative science and engineering application formulations that are enabled by a hybrid federated ACI that includes Clouds and HPC resources, as well as programming and middleware support for these new application formulations. Specifically, the project focuses on three key research thrusts: (1) application formulation; (2) programming models, abstractions and systems; and (3) middleware stacks and management services, and explore two applications use cases -- (i) an oil reservoir modeling application based on an Ensemble Kalman Filter (EnKF), and (ii) molecular dynamics simulations using asynchronous replica exchange. In each of these use cases activities explore how the capabilities provided by resources and services in a federated ACI can be leveraged to optimize metrics such as time-to-science, cost-to-science and/or energy-to-science.Cloud services are integral to the NSF ACI vision. Clouds are also rapidly becoming an integral part of the ACI available to science and engineering applications, and provide complementary capabilities that can have a significant impact on a range of applications. As a result, this research can have a significant impact on a diverse set of application domains by identifying new paradigms and practices that can make effective use of a hybrid ACI to accelerate science. Furthermore, the results of this research will provide resource providers information about how to best meet the needs of science and engineering applications and how current ACI can achieve broader accessibility and higher efficiencies and productivity. The development of human resources, including the training of students, researchers and software professions, as well as outreach to minorities and underrepresented group, is integral to all aspects of this effort.