"Greenbook Algorithms and Hardware Needs Analysis"

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"This document describes the algorithms, and hardware balance requirements needed to enable the solution of real scientific problems in the DOE core mission areas of environmental and subsurface chemistry, computational and systems biology, and climate science. The MSCF scientific drivers have been outlined in the Greenbook, which is available online at http://mscf.emsl.pnl.gov/docs/greenbook_for_web.pdf . Historically, the primary science driver has been the chemical and the molecular dynamics of the biological science area, whereas the remaining applications in the biological and environmental systems science areas have been occupying a smaller segment of the available hardware resources. To go from science drivers to ... continued below

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De Jong, Wibe A.; Oehmen, Chris S. & Baxter, Douglas J. January 9, 2007.

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Description

"This document describes the algorithms, and hardware balance requirements needed to enable the solution of real scientific problems in the DOE core mission areas of environmental and subsurface chemistry, computational and systems biology, and climate science. The MSCF scientific drivers have been outlined in the Greenbook, which is available online at http://mscf.emsl.pnl.gov/docs/greenbook_for_web.pdf . Historically, the primary science driver has been the chemical and the molecular dynamics of the biological science area, whereas the remaining applications in the biological and environmental systems science areas have been occupying a smaller segment of the available hardware resources. To go from science drivers to hardware balance requirements, the major applications were identified. Major applications on the MSCF resources are low- to high-accuracy electronic structure methods, molecular dynamics, regional climate modeling, subsurface transport, and computational biology. The algorithms of these applications were analyzed to identify the computational kernels in both sequential and parallel execution. This analysis shows that a balanced architecture is needed with respect to processor speed, peak flop rate, peak integer operation rate, and memory hierarchy, interprocessor communication, and disk access and storage. A single architecture can satisfy the needs of all of the science areas, although some areas may take greater advantage of certain aspects of the architecture. "

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  • Report No.: PNNL-15739
  • Grant Number: AC05-76RL01830
  • DOI: 10.2172/989065 | External Link
  • Office of Scientific & Technical Information Report Number: 989065
  • Archival Resource Key: ark:/67531/metadc1013605

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

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  • January 9, 2007

Added to The UNT Digital Library

  • Oct. 14, 2017, 8:36 a.m.

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  • Oct. 19, 2017, 8:13 p.m.

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De Jong, Wibe A.; Oehmen, Chris S. & Baxter, Douglas J. "Greenbook Algorithms and Hardware Needs Analysis", report, January 9, 2007; United States. (digital.library.unt.edu/ark:/67531/metadc1013605/: accessed December 14, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.