Jonathan L. Bentz

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Modern performance tools provide methods for easy integration into an application for performance evaluation. For a large-scale scientific software package that has been under development for decades and with developers around the world, several obstacles must be overcome in order to utilize modern performance tools and explore performance bottlenecks. In(More)
The Common Component Architecture (CCA) offers an environment that allows scientific packages to dynamically interact with each other through components. Conceptually, a computation can be constructed with plug-and-play components from any componentized scientific package; however, providing such plug-and-play components from scientific packages requires(More)
As the popularity of using SMP systems as the building blocks for high performance supercomputers increases, so too increases the need for applications that can utilize the multiple levels of parallelism available in clusters of SMPs. This paper presents a dual-layer distributed algorithm, using both shared-memory and distributed-memory techniques to(More)
When several large-scale quantum chemistry packages interoperate through components and some components provide similar functionality, we are faced with many challenges such as efficiently selecting the component with the best efficiency, finding compromises between efficiency and accuracy, or constructing new computations from available components with(More)
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