Exploring Cloud Paradigm and Practices for Science and Engineering

云抽象和基础设施正迅速成为先进研究网络基础设施（ACI）的一部分，为科学探索和发现提供了可行的平台。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如何在科学和工程中启用新范式和实践，这一点非常重要。本EAGER研究了由混合联邦ACI（包括云和HPC资源）支持的创新科学和工程应用程序公式，以及对这些新应用程序公式的编程和中间件支持。具体而言，该项目侧重于三个重点研究方向：(1)应用程序制定；(2)编程模型、抽象和系统；(3)中间件栈和管理服务，并探索两个应用程序用例——(i)基于集成卡尔曼滤波器（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。在每一个用例中，活动都探索了如何利用联合ACI中资源和服务提供的功能来优化指标，如科学研究的时间、科学研究的成本和/或科学研究的能量。云服务是NSF ACI愿景不可或缺的一部分。云也正在迅速成为科学和工程应用程序可用的ACI的一个组成部分，并提供对一系列应用程序产生重大影响的补充功能。因此，这项研究可以通过确定新的范例和实践，有效地利用混合ACI来加速科学发展，从而对不同的应用领域产生重大影响。此外，本研究的结果将为资源提供者提供有关如何最好地满足科学和工程应用需求以及当前ACI如何实现更广泛的可访问性和更高的效率和生产力的信息。人力资源的开发，包括培训学生、研究人员和软件专业人员，以及向少数民族和代表性不足的群体伸出援手，是这项努力所有方面的组成部分。

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.