NRAC Awards for quarter 2, 2003 (4/1/2003 - 6/30/2003)
Antony Beris, University of Delaware
Direct Numerical Simulation of Newtonian and Viscoelastic Turbulent Flows
PSC TeraScale: 500,000
Philip Bourne, San Diego Supercomputer Center
Using High Performance Computing Resources to Develop A Scalable Process for High Throughput Genome Annotation
Mich Athlon Cluster: 450,000
Condor: 400,000
James Briggs, University of Houston
Dynamics and Inhibition of Biomolecules
PSC TeraScale: 200,000
Roberto Car, Princeton University
Terascale Simulation Techniques for Chemistry, Materials Science, and Biology
PSC TeraScale: 1,500,000
David Ceperley, Natl Center for Supercomputing App
Simulations of Quantum Systems
NCSA IBM P690: 45,000
PSC TeraScale: 300,000
Thomas Cheatham, University of Utah
Insight Into Biomolecular Structure, Dynamics, Interactions and Energetics From Simulation
Exemplar: 50,000
NCSA IA64 Linux: 100,000
NCSA IBM P690: 9,000
Cray PT3E: 280,000
PSC TeraScale: 380,000
Kyeongjae Cho, Stanford University
Simulations of the Materials At Nanoscale
Mich Athlon Cluster: 150,000
TEXAS IBM POWER 4: 50,000
Marvin Cohen, University of California-Berkeley
Theoretical Condensed Matter Physics
SDSC SP Blue Horizon: 250,000
Shanhui Fan, Stanford University
Computational Micro and Nano-Photonics
Mich Athlon Cluster: 88,000
PSC TeraScale: 145,000
Arthur Freeman, Northwestern Univ
Fundamentals of Dislocation and Fracture Properties of Intermetallics: Theory Starting From First Principles
NCSA IA64 Linux: 32,960
PSC TeraScale: 115,200
SDSC SP Blue Horizon: 65,000
Richard Friesner, Columbia University in the City of New York
Computational Modeling of Biological Systems
NCSA IBM P690: 162,000
Henry Fuchs, University of North Carolina at Chapel Hill
Real-Time Long-Distance Terascale Computation for Full Bandwidth Tele-Immersion
PSC TeraScale: 150,000
Charles Goodrich, Boston University
Center for Inteegrated Space Weather Modeling
Boston IBM P690: 25,000
Boston SP: 25,000
Cray PT3E: 50,000
PSC TeraScale: 460,000
SDSC SP Blue Horizon: 155,000
Keith Gubbins, North Carolina State University at Raleigh
Molecular Simulation of Structured Nano-Phases: Confinement Effects and Self-Assembly in Solution
Mich Athlon Cluster: 150,000
Mich SP Nighthawk II: 50,000
PSC TeraScale: 75,000
SDSC SP Blue Horizon: 65,000
Parvez Guzdar, University of Maryland at College Park
Mesoscale Structuring of High Latitude Plasma Patches
PSC TeraScale: 200,000
SDSC SP Blue Horizon: 10,000
Jon Harris, University of Michigan, All Campuses
Computer Graphics Rendering and Optimization
Mich Athlon Cluster: 10,000
IBM SP at U Michigan: 10,000
Peter Hauschildt, University of Georgia
Non-Standard Stellar Atmospheres
SDSC SP Blue Horizon: 190,000
Richard Hennig, Ohio State University, All Campuses
Accelerated Molecular Dynamics Simulations of Defect Evolution.
NCSA IA64 Linux: 10,000
NCSA IBM P690: 36,000
Kendall Houk, University of California-Los Angeles
Large-Scale Computations of Chemical and Biological Reaction Rates and Mechanisms
NCSA IBM P690: 90,000
Chi-Yu Hu, California State University-Long Beach
Multichannel Scattering Cross Sections Via the Faddeev Method
PSC TeraScale: 300,000
SDSC SP Blue Horizon: 100,000
Kenneth Jansen, Rensselaer Polytechnic Institute
Parallel Automated Adaptive Simulation Technologies
NCSA IA64 Linux: 50,000
NCSA IBM P690: 60,000
PSC TeraScale: 250,000
John Joannopoulos, Massachusetts Institute of Technology
Ab-Initio Simulations of Materials Properties
NCSA IA64 Linux: 71,000
NCSA IBM P690: 80,000
PSC TeraScale: 486,600
George Karniadakis, Brown University
Deterministic and Stochastic Cfd Simulations
NCSA IA64 Linux: 50,000
PSC TeraScale: 150,000
SDSC SP Blue Horizon: 250,000
John Ketterson, Northwestern Univ
Advanced Tetrahedrally-Bonded Ferromagnetic Semiconductors for Spintronic Applications
TEXAS IBM POWER 4: 10,000
John Kim, University of California-Los Angeles
Numerical Study of Turbulent Boundary Layers
NCSA IBM P690: 245,000
PSC TeraScale: 480,000
SDSC SP Blue Horizon: 200,000
Toichiro Kinoshita, Cornell University, All Campuses
Theoretical Study of Lepton Anomalous Magnetic Moments
IBM SP at U Michigan: 200,000
PSC TeraScale: 200,000
Condor: 150,000
Anatoly Klypin, New Mexico State University, All Campuse
Formation and Evolution of Galaxies and Galaxy Clusters
NCSA IBM P690: 180,000
PSC TeraScale: 40,000
Brent Krueger, Hope College
Evaluation of A Mixed Molecular Dynamics and Quantum Mechanical Method for Simulating Linear and Nonlinear Optical Spectra in Condensed Phase Systems
NCSA IBM P690: 90,000
Keh-Fei Liu, University of Kentucky, All Campuses
Lattice Gauge Calculation of Hadronic Physics
PSC TeraScale: 400,000
SDSC SP Blue Horizon: 10,000
Anastasios Lyrintzis, Purdue University, All Campuses
Three-Dimensional Noise Prediction Using Large Eddy Simulation
PSC TeraScale: 60,000
SDSC SP Blue Horizon: 100,000
Alexander Mackerell, University of Maryland at Baltimore
Atomic Detail Investigations of the Structural and Dynamic Properties of Biological Systems
Exemplar: 8,700
Cray PT3E: 170,800
PSC TeraScale: 163,275
Jason Maron, University of Rochester
Computational Studies of Astrophysical Magnetohydrodynamics: Mhd Turbulence, Dynamos, Thermal Conduction, and Disks
PSC TeraScale: 250,000
William Mathews, University of California-Santa Cruz
3d Hydrodynamic Simulations of Bubbles in Clusters of Galaxies
Mich Athlon Cluster: 50,000
Mich SP Nighthawk II: 25,000
Manos Mavrikakis, University of Wisconsin-Madison
Catalyst Design From First-Principles
SDSC SP Blue Horizon: 50,000
TEXAS IBM POWER 4: 35,000
J Andrew Mccammon, University of California-San Diego
Theory of Biomolecular Structure and Dynamics
PSC TeraScale: 250,000
SDSC SP Blue Horizon: 300,000
Kenneth Merz, Pennsylvania State U, All Campuses
Quantum Biology
NCSA IBM P690: 90,000
PSC TeraScale: 820,000
George Morales, University of California-Los Angeles
Particle-in-Cell Simulations of Laboratory and Space Plasmas
SDSC SP Blue Horizon: 90,000
Nate Newman, Arizona State University Main
Nitride-Based Materials for Spintronic Applications: Investigations By Density-Functional Theory
PSC TeraScale: 90,000
SDSC SP Blue Horizon: 164,000
Michael Norman, University of California-San Diego
Testing the Concordance Model of Cosmological Structure Formation
NCSA IA32 Linux SClu: 1,430,000
NCSA IA64 Linux: 100,000
NCSA IBM P690: 90,000
PSC TeraScale: 450,000
SDSC SP Blue Horizon: 300,000
Kim Olsen, University of California-Santa Barbara
Southern California Earthquake Center (Scec) Earthquake Simulation Project
PSC TeraScale: 250,000
SDSC SP Blue Horizon: 150,000
Gregory Olson, Northwestern Univ
Stress-Corrosion Resistant Ultrahigh-Strength Steels: Modeling and Simulation
PSC TeraScale: 10,000
Philip Pritchett, University of California-Los Angeles
Collisionless Dissipative Processes in the Magnetotail and At the Magnetopause Boundary
SDSC SP Blue Horizon: 215,000
Thomas Quinn, University of Washington
Gravitational N-Body Simulations: Planet Formation to Cosmology
NCSA IBM P690: 18,000
PSC TeraScale: 250,000
Joachim Raeder, University of California-Los Angeles
Global Modeling of Earth's Magnetosphere
NCSA IA32 Linux SClu: 341,000
NCSA IA64 Linux: 105,000
NCSA IBM P690: 18,000
SDSC SP Blue Horizon: 21,900
Claudio Rebbi, Boston University
Lattice Quantum Chromodynamics With the Overlap Dirac Operator
NCSA IBM P690: 180,000
Harold Scheraga, Cornell University, All Campuses
Development and Application of A Hierarchical Protocol for Ab Initio Prediction of Protein Structure
PSC TeraScale: 750,000
Edward Seidel, Natl Center for Supercomputing App
Numerical Relativity and Black Hole Mergers
NCSA IA32 Linux SClu: 500,000
NCSA IA64 Linux: 125,000
NCSA IBM P690: 90,000
PSC TeraScale: 250,000
Wai-Mo Suen, Washington University
Computational General Relativistic Astrophysics
NCSA IA32 Linux SClu: 200,000
PSC TeraScale: 600,000
Juri Toomre, University of Colorado, All Campuses
Coupling of Turbulent Compressible Solar Convection With Rotation, Shear and Magnetic Fields
NCSA IA64 Linux: 100,000
PSC TeraScale: 1,100,000
SDSC SP Blue Horizon: 100,000
Henry Tufo, University of Chicago
Simulation of Transition in Vascular Flows
PSC TeraScale: 300,000
Ralph Wheeler, University of Oklahoma, All Campuses
Simulating Electron and Ion Transport
NCSA IBM P690: 180,000
Robert Wilhelmson, University of Illinois at Urbana-Champaign
the Numerical Simulation of Convective Clouds and Boundaries
NCSA IA64 Linux: 160,000
NCSA IBM P690: 90,000
Virgil Woods, University of California-San Diego
Efficient Refinement of Structure Prediction With Dxms Constraints
SDSC SP Blue Horizon: 50,000
Condor: 100,000
Paul Woodward, University of Minnesota, All Campuses
3d Simulations of Turbulent Compressible Stellar Convection
PSC TeraScale: 250,000
Donald Wuebbles, University of Illinois at Urbana-Champaign
Application of Multiprocessing Ncsa Platforms to Study Global Change Issues Relating to Climate and Ozone
NCSA IBM P690: 115,000
| Platform | Total PIs | Total SUs |
| SDSC SP Blue Horizon | 21 | 2,835,900 |
| IBM SP at U Michigan | 2 | 210,000 |
| Condor | 3 | 650,000 |
| Boston SP | 1 | 25,000 |
| Mich Athlon Cluster | 6 | 898,000 |
| NCSA IA64 Linux | 11 | 903,960 |
| PSC TeraScale | 35 | 12,175,075 |
| NCSA IA32 Linux SClu | 4 | 2,471,000 |
| Mich SP Nighthawk II | 2 | 75,000 |
| Cray PT3E | 3 | 500,800 |
| NCSA IBM P690 | 19 | 1,868,000 |
| Boston IBM P690 | 1 | 25,000 |
| Exemplar | 2 | 58,700 |
| TEXAS IBM POWER 4 | 3 | 95,000 |
SDSC T3E: 105,000
Warren Mori, University of California-Los Angeles
Full-Scale Three-Dimensional Numerical Experiments On High-Intensity Particle and Laser Beam-Matter Interactions
PSC TeraScale: 60,000
Michael Norman, University of California-San Diego
Testing the Concordance Model of Cosmological Structure Formation
NCSA IA32 Linux SClu: 600,000
NCSA Origin2000: 440,000
PSC TeraScale: 600,000
SDSC SP Blue Horizon: 360,000
Joel Primack, University of California-Santa Cruz
Galaxy Interaction Simulations
PSC TeraScale: 133,000
Thomas Quinn, University of Washington
Gravitational N-Body Simulations: Planet Formation to Cosmology
NCSA Origin2000: 60,000
PSC TeraScale: 140,000
Joachim Raeder, University of California-Los Angeles
Global Modeling of Earth's Magnetosphere
NCSA IA32 Linux SClu: 35,000
NCSA IA64 Linux: 60,000
NCSA Origin2000: 96,000
PSC TeraScale: 15,000
SDSC SP Blue Horizon: 110,000
Mohan Ramamurthy, University of Illinois at Urbana-Champaign
Mesoscale Ensemble and Predictability Studies
NCSA Origin2000: 150,000
Andrew Rappe, University of Pennsylvania
Pollution Control Catalysts By Design: Modeling Supported Rhodium and Palladium Nanoparticles
NCSA Origin2000: 163,080
David Richie, Ohio State University, All Campuses
Accelerated Molecular Dynamics Simulations of Defect Evolution.
NCSA Origin2000: 75,000
Harold Scheraga, Cornell University, All Campuses
Development and Application of A Hierarchical Protocol for Ab Initio Prediction of Protein Structure
PSC TeraScale: 300,000
Edward Seidel, Natl Center for Supercomputing App
Numerical Relativity and Black Hole Mergers
HP V2500 at Caltech: 2,000
Exemplar: 2,000
IBM SP at U Michigan: 2,000
NCSA IA32 Linux SClu: 100,000
NCSA IA64 Linux: 100,000
NM LL Linux SCluster: 100,000
NCSA Origin2000: 100,000
PSC TeraScale: 500,000
SDSC Sun HPC 10000: 2,000
SDSC SP Blue Horizon: 100,000
SDSC T3E: 2,000
TEXAS IBM POWER 4: 500
Condor: 2,000
Wai-Mo Suen, Washington University
Computational General Relativistic Astrophysics
NCSA Origin2000: 75,000
PSC TeraScale: 250,000
Juri Toomre, University of Colorado, All Campuses
Coupling of Turbulent Compressible Solar Convection With Rotation, Shear and Magnetic Fields
NCSA Origin2000: 330,000
PSC TeraScale: 360,000
SDSC SP Blue Horizon: 560,000
Henry Tufo, University of Chicago
Simulation of Transition in Vascular Flows
PSC TeraScale: 300,000
Ralph Wheeler, University of Oklahoma, All Campuses
Simulating Electron and Ion Transport
NCSA Origin2000: 100,000
Robert Wilhelmson, University of Illinois at Urbana-Champaign
the Numerical Simulation of Convective Clouds and Boundaries
NCSA IA32 Linux SClu: 4,000
NCSA IA64 Linux: 55,800
NCSA Origin2000: 228,055
| Platform | Total PIs | Total SUs |
| SDSC SP Blue Horizon | 19 | 3,333,376 |
| Condor | 2 | 102,000 |
| IBM SP at U Michigan | 5 | 427,000 |
| NM LL Linux SCluster | 2 | 130,000 |
| Boston SP | 1 | 10,000 |
| NCSA IA64 Linux | 5 | 725,800 |
| SDSC T3E | 4 | 351,886 |
| PSC TeraScale | 24 | 7,841,500 |
| NCSA IA32 Linux SClu | 5 | 799,000 |
| Cray PT3E | 5 | 500,000 |
| HP V2500 at Caltech | 1 | 2,000 |
| Exemplar | 5 | 338,800 |
| TEXAS IBM POWER 4 | 6 | 119,500 |
| SDSC Sun HPC 10000 | 2 | 24,000 |
| Texas SV1 | 1 | 750 |
| NCSA Origin2000 | 25 | 3,327,945 |
| Boston Origin2000 | 1 | 20,000 |
