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Scientists, engineers, and statisticians must execute domain-specific application programs many times on large collections of file-based data. This activity requires complex orchestration and data management as data is passed to, from, and among application invocations. Distributed and parallel computing resources can accelerate such processing, but their(More)
In this paper we present the Coaster System. It is an automatically-deployed node provisioning (Pilot Job) system for grids, clouds, and ad-hoc desktop-computer networks supporting file staging, on-demand opportunistic multi-node allocation, remote logging, and remote monitoring. The Coaster System has been previously [32] shown to work at scales of(More)
—Many scientific applications are conceptually built up from independent component tasks as a parameter study, optimization, or other search. Large batches of these tasks may be executed on high-end computing systems; however, the coordination of the independent processes, their data, and their data dependencies is a significant scalability challenge. Many(More)
Scripting is often used in science to create applications via the composition of existing programs. Parallel scripting systems allow the creation of such applications, but each system introduces the need to adopt a somewhat specialized programming model. We present an alternative scripting approach, AMFS Shell, that lets programmers express parallel(More)
Sharing data and storage space in a distributed system remains a difficult task for ordinary users, who are constrained to the fixed abstractions and resources provided by administrators. To remedy this situation, we introduce the concept of a tactical storage system (TSS) that separates storage abstractions from storage resources, leaving users free to(More)
In this paper we show the possibility of using very mild stochastic damping to stabilize long time step integrators for Newtonian molecular dynamics. More specifically, stable and accurate integrations are obtained for damping coefficients that are only a few percent of the natural decay rate of processes of interest, such as the velocity autocorrelation(More)
Biomolecular simulations produce more output data than can be managed effectively by traditional computing systems. Researchers need distributed systems that allow the pooling of resources, the sharing of simulation data, and the reliable publication of both tentative and final results. To address this need, we have designed GEMS, a system that enables(More)
This report discusses many-task computing (MTC), both generically and in the context of the proposed Blue Waters systems. Blue Waters is planned to be the largest supercomputer funded by NSF when it begins production use in 2011–2012 at NCSA. The aim of this report is to inform the Blue Waters project about MTC, including understanding aspects of MTC(More)
Efficiently utilizing the rapidly increasing concurrency of multi-petaflop computing systems is a significant programming challenge. One approach is to structure applications with an upper layer of many loosely coupled coarse-grained tasks, each comprising a tightly-coupled parallel function or program. " Many-task " programming models such as functional(More)
—High-performance computing (HPC) and distributed systems rely on a diverse collection of system software to provide application services, including file systems, schedulers, and web services. Such system software services must manage highly concurrent requests, interact with a wide range of resources, and scale well in order to be successful.(More)