Commercial clouds bring a great opportunity to the scientific computing area. Scientific applications usually require significant resources, however not all scientists have access to sufficient high-end computing systems. Cloud computing has gained the attention of scientists as a competitive resource to run HPC applications at a potentially lower cost. But as a different infrastructure, it is unclear whether clouds are capable of running scientific applications with a reasonable performance per money spent. This work provides a comprehensive evaluation of EC2 cloud in different aspects. We first analyze the potentials of the cloud by evaluating the raw performance of different services of AWS such as compute, memory, network and I/O. Based on the findings on the raw performance, we then evaluate the performance of the scientific applications running in the cloud. Finally, we compare the performance of AWS with a private cloud, in order to find the root cause of its limitations while running scientific applications. This paper aims to assess the ability of the cloud to perform well, as well as to evaluate the cost of the cloud in terms of both raw performance and scientific applications performance. Furthermore, we evaluate other services including S3, EBS and DynamoDB among many AWS services in order to assess the abilities of those to be used by scientific applications and frameworks. We also evaluate a real scientific computing application through the Swift parallel scripting system at scale. Armed with both detailed benchmarks to gauge expected performance and a detailed monetary cost analysis, we expect this paper will be a recipe cookbook for scientists to help them decide where to deploy and run their scientific applications between public clouds, private clouds, or hybrid clouds.
International audienceDifferent scientific workflow languages have been developed to help programmers in designing complex data analysis pro- cedures. However, little effort has been invested in com- paring and finding a common root for existing approaches. This work is motivated by the search for a scientific workflow language which coherently integrates different aspects of dis- tributed computing. The language proposed is data-driven for easing the expression of parallel flows. It leverages array programming principles to ease data-intensive applications design. It provides a rich set of control structures and it- eration strategies while avoiding unnecessary programming constructs. It allows programmers to express a wide set of applications in a compact framework
SUMMARY RNA-protein (RNP) interactions generally are required for RNA function. At least 5% of human genes code for RNA-binding proteins. Whereas many approaches can identify the RNA partners for a specific protein, finding the protein partners for a specific RNA is difficult. We present a machine-learning method that scores a protein’s binding potential for an RNA structure by utilizing the chemical context profiles of the interface from known RNP structures. Our approach is applicable even when only a single RNP structure is available. We examined 801 mammalian proteins and find that 37 (4.6%) potentially bind transfer RNA (tRNA). Most are enzymes involved in cellular processes unrelated to translation and were not known to interact with RNA. We experimentally tested six positive and three negative predictions for tRNA binding in vivo, and all nine predictions were correct. Our computational approach provides a powerful complement to experiments in discovering new RNPs.
Challenges related to development, deployment, and maintenance of reusable software for science are becoming a growing concern. Many scientists' research increasingly depends on the quality and availability of software upon which their works are built. To highlight some of these issues and share experiences, the First Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE1) was held in November 2013 in conjunction with the SC13 Conference. The workshop featured keynote presentations and a large number (54) of solicited extended abstracts that were grouped into three themes and presented via panels. A set of collaborative notes of the presentations and discussion was taken during the workshop. Unique perspectives were captured about issues such as comprehensive documentation, development and deployment practices, software licenses and career paths for developers. Attribution systems that account for evidence of software contribution and impact were also discussed. These include mechanisms such as Digital Object Identifiers, publication of "software papers", and the use of online systems, for example source code repositories like GitHub. This paper summarizes the issues and shared experiences that were discussed, including cross-cutting issues and use cases. It joins a nascent literature seeking to understand what drives software work in science, and how it is impacted by the reward systems of science. These incentives can determine the extent to which developers are motivated to build software for the long-term, for the use of others, and whether to work collaboratively or separately. It also explores community building, leadership, and dynamics in relation to successful scientific software.
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