nuclear physics at the interface of 21st century...
TRANSCRIPT
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Nuclear Physics at the Interfaceof 21st Century Computational Science
Michael Strayer, Assoc. Dir. Of Science for Advanced Scientific Computing Research
April 2009
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Computational ScienceThe Early Years
Wilson’s Analogy:Simulation ScientistsMath/CS Researchers Computers
ExperimentalistsTheoristsExperimental Apparatus
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“Perhaps the most significant applications of scientific computing come not in the solution of old problems, but in the discovery of new phenomena through numerical experimentation.”
Computational ScienceThe Early Years
Lax report on Large Scale Computing in Science and Engineering, 1982
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Computational ScienceThe Early Years
Lax Report on Large Scale Computing in Science and Engineering, 1982
It is in the national interest– that access to constantly updated supercomputing facilities be provided to
scientific and engineering researchers and– that a large and imaginative user community be trained in their uses and
capabilities.
Future significant improvements may have to come from architectures embodying parallel processing elements –perhaps several thousands of processors.
Research in languages, algorithms and numerical analysis will be crucial in learning to exploit these new architectures fully.
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Computational Science20 years later
Scientific Discovery through Advanced Computing (SciDAC)
““SciDAC is unique in the world. There isn't any other SciDAC is unique in the world. There isn't any other program like it anywhere else, and it has the program like it anywhere else, and it has the remarkable ability to do science by bringing remarkable ability to do science by bringing together physical scientists, mathematicians, applied together physical scientists, mathematicians, applied mathematicians, and computer scientists who mathematicians, and computer scientists who recognize that computation is not something you do recognize that computation is not something you do at the end, but rather it needs to be built into the at the end, but rather it needs to be built into the solution of the very problem that one is addressing.solution of the very problem that one is addressing.””
Dr Raymond Orbach, then Under Secretary for Science and Director, Office of Science, US Department of Energy
in SciDAC Review
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Computational Science:the Third Pillar
Ken Wilson
ExperimentTheory
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Advancing Science through large-scale data, modeling and simulation
– Science Application and Science Applications Partnerships: Astrophysics, Accelerator Science, Climate, Biology, Fusion, Petabyte data, Materials & Chemistry, Nuclear physics, High Energy physics, QCD, Turbulence, Groundwater
– Centers for Enabling Technology: Address mathematical and computing systems software issues
– Institutes: Assist Scientific Applications teams and foster next generation computational scientists
Scientific Discovery Scientific Discovery through Advanced Computing (SciDAC)through Advanced Computing (SciDAC)
http://www.scidac.gov
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FacilitiesThen and Now
1984 2009
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Nuclear Physics2.8%
Climate Research11.1%
Chemical Sciences6.3%
Astrophysics17.8%
Atomic/Molecular Physics0.1%
Combustion6.1%
Plasma Physics9.8%
Applied Mathematics3.4%
Biological Sciences11.2%
Engineering2.3%
Computer Sciences2.7%
Geosciences1.2%
Environmental Sciences0.6%
Lattice Gauge Theory9.8%
Materials Sciences12.4%
Nuclear Energy0.8%
Accelerator Physics1.5%
Fluid Turbulence0.1%
2009 INCITE projects
Innovative and Novel Computational Impact on Theory and Experiment
Approximately 890 million processors awarded in 2009
Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program started in 2004.• Small number of computationally intense, high impact projects• Open to national and international researchers, including industry• No requirement of DOE or Office of Science funding on topic area• Peer and computational reviews
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INCITE TrendsRequests for allocations continue to outpace available resources
Approximately 1.3 Billion Processor hours available for INCITE in 2010
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Delivering the Science
Scientific Discovery and the Role of High End Computing
Panelist Area Pete Beckman, Argonne National Laboratory
Computer Science
Jacqueline Chen, Sandia National Laboratories
Accelerator Physics, Combustion, Fluid Turbulence, Engineering Physics
Giulia Galli, University of California-Davis
Chemical Sciences, Nano and Materials Sciences, Physical Chemistry
James Hack, Oak Ridge National Laboratory
Climate Research, Environmental Sciences, Geosciences
David Keyes, Columbia Applied Mathematics Doug Kothe, Oak Ridge National Laboratory
Computational Fluid Dynamics, Nuclear Engineering
Paul Messina, Argonne National Laboratory
Computer Science
Anthony Mezzacappa, panel chair, Oak Ridge National Laboratory
Astrophysics, Solar/Space Physics
Claudio Rebbi, Boston University
High Energy and Nuclear Physics
Nagiza Samatova, North Carolina State University
Biology, Life Sciences
Tang, Princeton Plasma Physics Laboratory
Fusion, Fusion, Energy, Plasma Physics
Katherine Yelick, Lawrence Berkeley National Laboratory
Computer Science
Breakthroughs Selection Panel
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Top 10 Computational Science Accomplishments
Titles in Blue – SciDAC: Titles in Black - INCITE
Via Lactea II, A Billion Particle Simulation of the Dark Matter Halo of the Milky Way (Madau)
8
Prediction and Design of Macromolecular Structures and Functions (Baker)3
Modeling the Molecular Basis of Parkinson’s Disease (Tsigelny)1
Understanding How Lifted Flame Stabilized in a Hot Coflow (Yoo)4
10
9
7
6
5
2
Rank
PETSc: Providing the Solvers for DOE High-Performance Simulations (Smith)
High Transition Temperature Superconductivity: A High-Temperature Superconducting State and a Pairing Mechanism in 2-D Hubbard Model (Scalapino)
New Insights from LCF-enable advanced kinetic simulations of global turbulence in fusion systems (Tang)
Discovery of the Standing Accretion Shock Instability and Pulsar Birth Mechanism in a Core-Collapse Supernova Evolution and Explosion (Blondin)
First Provably Scalable Maxwell Solver Enables Scalable Electromagnetic Simulations (Kovel)
Probing the properties of water through advanced computing (Galli)
Title
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DCA++ Achieves 1.3 Petaflops
High Tc Superconducting in Cuprates• 2-D Hubbard Model• Study Materials with
Disorders/Impurities• First petaflop application• Spurred community debate • Inspired SNS experimentDCA++• Monte Carlo Method• 10X Speedup by Scientific Computing
Group at OLCF through:– Delaying memory intensive
operations (reorder barriers)– Mixed Precision arithmetic
(move fewer bits per flop)
2008 Gordon Bell Prize Winner
Philip AndersonDoug Scalapino
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14
Petaflops to Exaflops14 years Ago
“Building a computer 10 times larger than all the networked computing capability in the USA”
2007“range of applications that would be materially transformed by the availability of exascale systems”
www.er.doe.gov/ASCR/ProgramDocuments/TownHall.pdf
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Scientific Challenges Workshop Series
Enabling science communities to address scientific grand challenges through extreme scale computational science
Workshop series: • Climate Science• High-Energy Physics• Nuclear Physics• Fusion Energy Sciences• Nuclear Energy• Biology• Materials Science and Chemistry• NNSA• CS-Math & Architectures
26-28 January 2009, Washington, DC109 participants; DOE/NSF/NNSA reps
The Nuclear Physics Workshop defined Priority Research Directions in• Nuclear Astrophysics• Cold QCD and Nuclear Forces• Nuclear Structure and Reactions• Accelerator Physics• Hot and Dense QCD
Workshop chair: Dr. Glenn YoungCo-chairs: Dr. David Dean,
Dr. Martin Savage
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Scientific Challenges Workshop SeriesExascale computing will unify Nuclear Physics
Nuclear Structure
QCD
Applications in astrophysics, defense, energy, and medicine
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Scientific Challenges Workshop SeriesExascale computing will unify Nuclear Physics
Cold QCD andNuclear Forces
NuclearAstrophysics
Nuclear Structureand Reactions
Hot and DenseQCD
HEP neutrino
Equation of state of nuclear material?Kaon (strange meson) Condensates?Sigma (strange) Baryons?Is SN1987A a black hole or a neutron star?
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Scientific Challenges Workshop SeriesExample: Nuclei
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Scientific Challenges Workshop SeriesExample: Hadronic Structure
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Scientific Challenges Workshop SeriesExamples: Astrophysics
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“Effective use of exascale systems will require fundamental changes in how we develop and validate simulation codes for these systems and how we manage and extract knowledge from the massive amount of data produced.”
Exascale Townhall: Software – Findings
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Challenges for the FuturePath to Extreme Scale
Applied Math and Computer Science have contributed even more than Moore’s Law
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Hitting the Cliff Hitting the Cliff
SciDAC 1SciDAC 1
SciDAC 2SciDAC 2
SciDAC XSciDAC X
I climb the "Hill of Science,"I "view the landscape o'er;"
Such transcendental prospect,I ne'er beheld before!
-Emily Dickinson
TerascaleTerascale
PetascalePetascale
Extreme ScaleExtreme Scale
Core
Res
earc
h