Cloud computing has seen tremendous growth, particularly for commercial web applications. The on-demand, pay-as-you-go model creates a flexible and cost-effective means to access compute resources. For these reasons, the scientific computing community has shown increasing interest in exploring cloud computing. However, the underlying implementation and performance of clouds are very different from those at traditional supercomputing centers. It is therefore critical to evaluate the performance of HPC applications in today's cloud environments to understand the tradeoffs inherent in migrating to the cloud. This work represents the most comprehensive evaluation to date comparing conventional HPC platforms to Amazon EC2, using real applications representative of the workload at a typical supercomputing center. Overall results indicate that EC2 is six times slower than a typical mid-range Linux cluster, and twenty times slower than a modern HPC system. The interconnect on the EC2 cloud platform severely limits performance and causes significant variability.

Today's computational, experimental, and observational sciences rely on computations that involve many related tasks. The success of a scientific mission often hinges on the computer automation of these workflows. In April 2015, the US Department of Energy (DOE) invited a diverse group of domain and computer scientists from national laboratories supported by the Office of Science, the National Nuclear Security Administration, from industry, and from academia to review the workflow requirements of DOE's science and national security missions, to assess the current state of the art in science workflows, to understand the impact of emerging extreme-scale computing systems on those workflows, and to develop requirements for automated workflow management in future and existing environments. This article is a summary of the opinions of over 50 leading researchers attending this workshop. We highlight use cases, computing systems, workflow needs and conclude by summarizing the remaining challenges this community sees that inhibit large-scale scientific workflows from becoming a mainstream tool for extreme-scale science.

E ach year across the US, mesoscale weather events-flash floods, tornadoes, hail, strong winds, lightning, and localized winter storms-cause hundreds of deaths, routinely disrupt transportation and commerce, and lead to economic losses averaging more than US$13 billion.1 Although mitigating the impacts of such events would yield enormous economic and societal benefits, research leading to that goal is hindered by rigid IT frameworks that can't accommodate the real-time, on-demand, dynamically adaptive needs of mesoscale weather research; its disparate, high-volume data sets and streams; or the tremendous computational demands of its numerical models and data-assimilation systems.In response to the increasingly urgent need for a comprehensive national cyberinfrastructure in mesoscale meteorology-particularly one that can interoperate with those being developed in other relevant disciplines-the US National Science Foundation (NSF) funded a large information technology research (ITR) grant in 2003, known as Linked Environments for Atmospheric Discovery (LEAD). A multidisciplinary effort involving nine institutions and more than 100 scientists, students, and technical staff in meteorology, computer science, social science, and education, LEAD addresses the fundamental research challenges needed to create an integrated, scalable framework for adaptively analyzing and predicting the atmosphere.LEAD's foundation is dynamic workflow orchestration and data management in a Web services framework. These capabilities provide for the use of analysis tools, forecast models, and data repositories,

Scientific facilities such as the Advanced Light Source (ALS) and Joint Genome Institute and projects such as the Materials Project have an increasing need to capture, store, and analyze dynamic semi-structured data and metadata. A similar growth of semi-structured data within large Internet service providers has led to the creation of NoSQL data stores for scalable indexing and MapReduce for scalable parallel analysis. MapReduce and NoSQL stores have been applied to scientific data. Hadoop, the most popular open source implementation of MapReduce, has been evaluated, utilized and modified for addressing the needs of different scientific analysis problems. ALS and the Materials Project are using MongoDB, a document oriented NoSQL store. However, there is a limited understanding of the performance trade-offs of using these two technologies together. In this paper we evaluate the performance, scalability and fault-tolerance of using MongoDB with Hadoop, towards the goal of identifying the right software environment for scientific data analysis.

The exponential growth of scientific and business data has resulted in the evolution of the cloud computing environments and the MapReduce parallel programming model. The focus of cloud computing is increased utilization and power savings through consolidation while MapReduce enables large scale data analysis.Hadoop, an open source implementation of MapReduce has gained popularity in the last few years. In this paper, we evaluate Hadoop performance in both the traditional model of collocated data and compute services as well as consider the impact of separating out the services. The separation of data and compute services provides more flexibility in environments where data locality might not have a considerable impact such as virtualized environments and clusters with advanced networks. In this paper, we also conduct an energy efficiency evaluation of Hadoop on physical and virtual clusters in different configurations. Our extensive evaluation shows that: (1) coexisting virtual machines on servers decrease the disk throughput; (2) performance on physical clusters is significantly better than on virtual clusters; (3) performance degradation due to separation of the services depends on the data to compute ratio; (4) application completion progress correlates with the power consumption and power consumption is heavily application specific. Finally, we present a discussion on the implications of using cloud environments for big data analyses.

Abstract-MapReduce is increasingly becoming a popular framework, and a potent programming model. The most popular open source implementation of MapReduce, Hadoop, is based on the Hadoop Distributed File System (HDFS). However, as HDFS is not POSIX compliant, it cannot be fully leveraged by applications running on a majority of existing HPC environments such as Teragrid and NERSC. These HPC environments typically support globally shared file systems such as NFS and GPFS. On such resourceful HPC infrastructures, the use of Hadoop not only creates compatibility issues, but also affects overall performance due to the added overhead of the HDFS. This paper not only presents a MapReduce implementation directly suitable for HPC environments, but also exposes the design choices for better performance gains in those settings. By leveraging inherent distributed file systems' functions, and abstracting them away from its MapReduce framework, MARIANE (MApReduce Implementation Adapted for HPC Environments) not only allows for the use of the model in an expanding number of HPC environments, but also allows for better performance in such settings. This paper shows the applicability and high performance of the MapReduce paradigm through MARIANE, an implementation designed for clustered and shared-disk file systems and as such not dedicated to a specific MapReduce solution. The paper identifies the components and trade-offs necessary for this model, and quantifies the performance gains exhibited by our approach in distributed environments over Apache Hadoop in a data intensive setting, on the Magellan testbed at

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Workflows have been used to model repeatable tasks or operations in manufacturing, business process, and software. In recent years, workflows are increasingly used for orchestration of science discovery tasks that use distributed resources and web services environments through resource models such as grid and cloud computing. Workflows have disparate requirements and constraints that affects how they might be managed in distributed environments. In this paper, we present a multi-dimensional classification model illustrated by workflow examples obtained through a survey of scientists from different domains including bioinformatics and biomedical, weather and ocean modeling, astronomy detailing their data and computational requirements. The survey results and classification model contribute to the high level understanding of scientific workflows.