HPC, the Department of Energy and the Obama Administration:

1. Extreme Computing October 9, 2009 HPC, the Department of Energy and the Obama Administration: A Strategic Perspective Victor Reis Senior Advisor Department of Energy

2. Outline • Strategic Planning (One Slide) • Vision, Assets, Strategy • President Obama’s Vision • DOE as a strategic asset • The ASCI Strategy – An example • Current DOE HPC Strategies • Potential DOE HPC strategies & applications • Summary

3. Vision Strategies Assets Strategic Planning

4. Vision: Nuclear President Obama Prague, April 5, 2009 “The United States will take concrete steps towards a world without nuclear weapons…. Make no mistake: As long as these weapons exist, the United States will maintain a safe, secure and effective arsenal to deter any adversary, and guarantee that defense to our allies.” “We must harness the power of nuclear energy on behalf of our efforts to combat climate change, and to advance peace opportunity for all people.”

5. Vision: Energy & Climate WEEKLY ADDRESS: President Obama Calls Energy Bill Passage Critical to Stronger American Economy June 27, 2009 “We have been talking about energy for decades.  But there is no longer a disagreement over whether our dependence on foreign oil is endangering our security.  It is.  There is no longer a debate about whether carbon pollution is placing our planet in jeopardy.  It’s happening.”  Vision: Science & DOE REMARKS BY THE PRESIDENTAT THE NATIONAL ACADEMY OF SCIENCES ANNUAL MEETING April 27, 2009 And my budget doubles funding for the Department of Energy's Office of Science, which builds and operates accelerators, colliders, supercomputers, high-energy light sources, and facilities for making nano-materials -- because we know that a nation's potential for scientific discovery is defined by the tools that it makes available to its researchers.

6. Vision: Climate Change President Obama: Speech to the United Nations On Climate Change. 22 Sept 2009 “That so many of us are here today is a recognition that the threat from climate change is serious, it is urgent, and it is growing.” “We know what needs to be done. We know that our planet's future depends on a global commitment to permanently reduce greenhouse gas pollution. We know that if we put the right rules and incentives in place, we will unleash the creative power of our best scientists, engineers, and entrepreneurs to build a better world.”

7. 29 Nobel Prizes Assets: DOE has done a lot in the last ~ 15 years: e.g.: • Major New Science Installations • Spallation Neutron Source – Oak Ridge • Advanced Photon Source - Argonne • National Ignition Facility - Livermore • Linac Coherent Light Source - SLAC • Relativistic Heavy Ion Collider - Brookhaven • Microsystems and Engineering Sciences Application (MESA) – Sandia • Dual Axis Radiographic Hydrodynamic Test - Los Alamos • Nuclear Weapons - Stockpile Stewardship • Much deeper understanding of nuclear explosive process • 114 Annual Weapon Certifications without underground testing • Simulation has driven High Performance Computing Leadership • Stockpile Life Extension (W87, B61, W76) • Non-Proliferation • Russian Weapons and Material Security much improved • International Safeguards, Global Threat Reduction Inititiative • “Megatons to Megawatts” (367 MTons of Russian HEU eliminated) • Defense Clean Up • Rocky Flats • Fernald • Mound • Radioactive Waste Disposition • Waste Isolation Pilot Plant (WIPP)

8. ASSETS: DOE has a large collection of PhD scientistsat 17 labs Office NNSA Science Nuclear Energy Efficiency & Renew 2500 Total = 12,440 PhDs * 2000 Plus ~25,000 visiting scientists Number of PhDs 1500 1000 Enviro. Mgmt 500 Fossil Energy 0 LANL SNL LLNL LBNL ORNL PNNL ANL BNL FNAL SLAC INL NREL SRNL JLAB NETL Ames PPPL 17 labs * October 2007

9. ASCI Goal LANL/ IBM LLNL/IBM LLNL/IBM LLNL/IBM Sandia/Intel DOE Assets - Starting with Stockpile Stewardship (ASCI/ASC) DOE has maintained US Global Computing Leadership 8 of top 10 U.S. 5 of top 10 DOE

10. President Clinton: July 3, 1993 Seek a CTBT, & directs the DOE to "establish a stewardship program to ensure the preservation of the core intellectual and technical competencies of the U.S. in nuclear weapons." Accelerated Strategic Computing Initiative: Aligning and Executing Toward a Vision.

11. An integrated, Balanced Program A comprehensive program to develop the applications, development tools, computers, networks, and visualization to create the simulation capabilities to enable a science based approach to stockpile stewardship.

12. $800.0 $700.0 $600.0 Facility Ops & User Support $500.0 Platforms & Environments $ Millions Multi - Purpose & Construction Relationships $400.0 Environments Platforms $300.0 Applications $200.0 $100.0 $- 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 Fiscal Year Robust, Balanced and Long Term Funding

13. Hardware Labs Academia Software ASCI was built with Partnerships

14. What are the models (strategies) for HPC development? • Science Model • Applications Model • Commercial Model DOE Potential HPC Strategies • Science Model - DOE SciDAC – Scientific Discovery Through Advance Computing • Broad, Open, Peer Reviewed, Balanced, Important Science Problems • Best Buyable HPC’s • HPC support tools – math, algorithm’s, software etc. • Manage user computer cycles to priority problems • Applications Model – DOE NNSA ASCI/ASC • Focus on time urgent national problem • “closed” community • Develop new computers/software/environments • Partnerships with HPC industry • Targeted Investments in industry R&D • Big Investment, “Tight” management

15. Commercial Spinoff? From the Perspective of HPC Development: How “applications driven” will the next generation of HPC architectures be? • What are the DOE HPC applications? • Who cares? • How much performance, when? • Scale of the investment? • Breadth of applications What is the model of DOE HPC program? What is the level of DOE/Industry partnership?

16. Scientific Grand Challenges Workshop Series November 4, 2008 DOE Response BER/Climate Workshop: Challenges in Climate Change Science and the Role of Computing at the Extreme Scale, November 6-7, 2008 HEP/High Energy Physics Workshop: Scientific Challenges for Understanding the Quantum Universe and the Role of Computing at the Extreme Scale, December 9-11, 2008 NP/Nuclear Physics Workshop: Forefront Questions in Nuclear Science and the Role of High-Performance Computing, January 26-28, 2009 FES/Fusion Workshop: Extreme Scale Computing Challenges in Fusion Science, March 18-20, 2009 NE/Nuclear Energy Workshop: Extreme Scale Computing Challenges in Nuclear Energy, May 11-12, 2009 BER/Biology Workshop: Extreme Scale Computing Challenges in Biology, August 17-19, 2009 BES/Materials Workshop: Extreme Scale Computing Challenges in Materials Science, August 13-15, 2009 NNSA/ASCR Workshop: Science Grand Challenges, October, 6-8, 2009

17. The Imperative of High-Performance Computing: Pushing Back the Frontiers of Science and Technology Workshop on Scientific Challenges in National Security: the Role of Computing at the Extreme Scale October 6, 2009 Dr. William F. Brinkman Director, Office of ScienceU.S. Department of Energy

18. Signature Computations in Pushing Back the Frontiers of Science • Energy for environmental sustainability • Climate change: incorporating carbon cycle in models, improving spatial/temporal resolution • Combustion: obtaining quantitative predictions within flames • Bioenergy: modeling and solving recalcitrance in cellulosic ethanol • Solar Energy: detailed modeling of solar cells • Energy storage: next-generation electrical storage materials modeling • Energy transmission: quantitative prediction of grid performance • Fusion: ITER design, optimization, and operation, IFE design • Nuclear energy: fully-resolved reactor system prediction, qualification of advanced fuels • Materials and nanoscience • Predicting the structureand performance of materials under extreme conditions Dr. William F. Brinkman Director, Office of ScienceU.S. Department of Energy

19. Signature Computations in Pushing Back the Frontiers of Science • Fundamental science • Astrophysics: improved software and models fro astrophysical phenomena • Chemistry: quantitative modeling of macromolecules and assemblies of molecules • Nuclear physics: developing abinitio techniques for heavier atoms • High energy physics: managing and analyzing extreme datasets • Biology: improved models system-level biology • National Security Science & Technology (DOE/NNSA) • Stockpile Stewardship: 3-dimensional simulation tools with improved resolution and subgrid-scale physics • Nuclear Nonproliferation: improved techniques for materials detection and control • Climate Change: improved computational models for understanding global transport mechanisms in the atmosphere Dr. William F. Brinkman Director, Office of ScienceU.S. Department of Energy

20. High Energy Physics (2) Almost Perfect Fermion

21. The overarching ASC goal is to provide SSP with a sufficient science & technology base to make decisions 96 97 98 99 00 01 02 03 04 05 06 07 08 09 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 Enables Enables Uncertainty Quantification SSP Goals: Develop and demonstrate capability to certify aging weapons with codes calibrated to past UGTs Certify Stockpile (near neighbors to the test base) Certify weapons without relying on past or future UGTs - using predictive UQ ASC Goals: • Resolve key simulation unknowns (e.g. boost) • Transition 2D to 3D UQ • Master exascale parallelism • Create 3D integrated design codes • Master terascale parallelism • Field predictive, 3D UQ + key capabilities Platforms: Zia Sequoia Exascale systems Purple 100 BG/L 360 Red 1 Blue 3 White 10 Q 20 12x Purple 20x BG/L 8x Purple Energy Balance Fracture Si Radiation Damage Initial Conditions For Boost Drivers: Secondary Performance Boost UQ and key unknowns will drive platform requirements until 2020-2025 - thereafter it will be predictive UQ alone April 2009 Future ASC Computing Requirements 21

22. Recommended DOE Program for Nuclear Energy

23. Summary • Solving current DOE problems could provide a major opportunity for HPC • HPC a major tool is solving current DOE problems • Help Fulfill Obama vision • But HPC not quite recognized by the Obama Administration • FY 2012 Budget first real opportunity • What will be the DOE problems? • Climate • National Security • Energy • Science • ….. • Historically Computer Architecture drives the rate of growth • Driven by Problems & Partnerships > Programs >Platforms • ASCI experience • DOE Model of Development – Balance between Science & Applications • Level of investment in industry • Opportunity for Obama Administration & DOE • Role of DOE labs • Academia • Industry