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National Facility for Advanced Computational Science

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National Facility for Advanced Computational Science National Facility for Advanced Computational Science: A Sustainable Path to Scientific Discovery A Proposal to the DOE Office of Science from Lawrence Berkeley National Laboratory NANOSCIENCE COMBUSTION FUSION CLIMATE ASTROPHYSICS LBNL/PUB-5500 National Facility for Advanced Computational Science: A Sustainable Path to Scientific Discovery A Proposal to the DOE Office of Science from Lawrence Berkeley National Laboratory April 2, 2004 Horst Simon, William Kramer, William Saphir, John Shalf, David Bailey, Leonid Oliker, Michael Banda, C. William McCurdy, John Hules, Andrew Canning, Marc Day, Philip Colella, David Serafini, Michael Wehner, Peter Nugent This proposal includes data that shall not be disclosed, duplicated, or used in whole or in part, for any purpose other than to evaluate this proposal. Disclosures of information contained in this proposal, except when obtained from public sources or to duplicate information for evaluation purposes only, require the written consent of the University of California. This work was supported by the Director, Office of Science, Office of Advanced Scientific Computing Research of the U.S. Department of Energy under Contract No. DE-AC 03-76SF00098. Table of Contents Project Summary ........................................................................................................................................ 1 1. Introduction: A Sustainable Path to Leadership Computing .......................................................... 2 2. Scientific Applications and Underlying Algorithms Drive Architectural Design........................... 3 3. A Science-Driven System Architecture .............................................................................................. 4 3.1 Building on the Blue Planet Collaboration: Addressing the Memory Bandwidth Bottleneck....... 5 3.2 Leadership Computing Systems (LCS).......................................................................................... 6 4. The Berkeley Lab Advantage.............................................................................................................. 9 4.1 Berkeley Lab’s Experience Managing National User Facilities .................................................... 9 4.2 NERSC: A Proven Track Record Delivering High-End Computing to the National Community.......................................................................................................... 10 4.3 Intellectual Resources .................................................................................................................. 11 4.4 Infrastructure and Capabilities ..................................................................................................... 12 4.5 Building and Physical Infrastructure............................................................................................ 15 5. Building A National Leadership Computing Consortium.............................................................. 15 5.1 Charter Members of the LCC....................................................................................................... 16 5.2 Leadership Computing Applications Teams (LCATs) ................................................................ 16 5.3 Communications and Outreach .................................................................................................... 17 5.4 NFACS Education and Workforce Development ........................................................................ 17 6. Management Plan............................................................................................................................... 18 6.1 The NFACS Management and Organization ............................................................................... 18 6.2 Key Technical Personnel.............................................................................................................. 18 6.3 National Oversight and Policy ..................................................................................................... 19 6.4 Allocation Review Process........................................................................................................... 19 7. Budget.................................................................................................................................................. 19 APPENDICES A. LCS-1 and LCS-2 System Architecture .........................................................................................A-1 A.1 IBM Proposed System Design for LCS-1 and LCS-2................................................................A-1 A.2 ViVA Technical Overview.......................................................................................................A-18 A.3 Milestones and Deliverables ....................................................................................................A-19 B. IBM Response to Berkeley Lab’s Request for Information on High-End Computing Systems, February 24, 2004 ............................................................................................................. B-1 C. Performance Analysis of LCS-1 and LCS-2 Systems.................................................................... C-1 D. Leadership Computing Consortium (LCC) and Leadership Computing Applications Teams (LCATs)..........................................................................................................D-1 D.1 Leadership Computing Consortium (LCC)................................................................................D-1 D.2 Leadership Computing Applications Teams (LCATs) ..............................................................D-5 D.3 Letters of Support from Collaborators .....................................................................................D-25 D.4 Compliance with Section 307 of the Consolidated Appropriations Resolution, 2003.............D-28 E. Facilities and Resources................................................................................................................... E-1 E.1 Berkeley Lab Support Strategy .................................................................................................. E-1 E.2 Building and Physical Infrastructure.......................................................................................... E-1 E.3 Networking, Data Storage and Archives, and Security.............................................................. E-4 F. Resources and Expertise at UC Berkeley, Berkeley Lab, and NERSC ........................................F-1 F.1 University of California, Berkeley..............................................................................................F-1 F.2 National Facilities Managed by Berkeley Lab............................................................................F-2 F.3 Large Scale System Management at NERSC..............................................................................F-4 F.4 Leveraging NERSC Operations ..................................................................................................F-6 F.5 Comprehensive Scientific Support..............................................................................................F-7 G. NERSC Policy Board .......................................................................................................................G-1 H. NFACS Staff and Biographical Sketches .......................................................................................H-1 H.1 NFACS Staffing.........................................................................................................................H-1 H.2 Current Support of Key Personnel .............................................................................................H-2 H.3 Biographical Sketches................................................................................................................H-3 I. Bibliography........................................................................................................................................I-1 J. Acronyms and Abbreviations........................................................................................................... J-1 K. Budget................................................................................................................................................K-1 K.1 Performance Based Budget ........................................................................................................K-1 K.2 Funding Constrained Budget......................................................................................................K-9 Use or disclosure of information contained on this page is subject to the restrictions on the title page of this proposal. Project Summary Lawrence Berkeley National Laboratory (Berkeley Lab) proposes to create a National Facility for Advanced Computational Science (NFACS) and to establish a new partnership between the American computer industry and a national consortium of laboratories, universities, and computing facilities. NFACS will provide leadership-class scientific computing capability to scientists and engineers nationwide, independent of their institutional affiliation or source of funding. This partnership will bring into existence a new class of computational capability in the United States that is optimal for science and will create a sustainable path towards petaflops performance. In order to effect a fundamental change in computer architecture development, we have established a national Leadership Computing Consortium (LCC), composed of a number
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