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LRAC Awards for Quarter 4, 2005

Adv Sci Comp

(1) Allan Snavely, San Diego Supercomputer Center
A Framework for Performance Modeling and Prediction
NCSA Xeon Linux Supercluster: 21,376
TG PSC TCS1: 738,090
PSC Cray XT3: 21,376
SDSC Datastar IBM P655: 171,008
TG SDSC IBM P690: 266,496
TeraGrid Cluster: 415,035
Teragrid Wide Roaming: 266,496

Astronomy

(2) Dinshaw Balsara, University of Notre Dame
Simulating the Turbulent, Multiphase Interstellar Medium
NCSA SGI Altix: 250,000

(3) Robert Brunner, University of Illinois at Urbana-Champaign
the Laboratory for Cosmological Data Mining
NCSA Condor Pool: 70,000
NCSA IBM P690: 6,000
NCSA Xeon Linux Supercluster: 43,000
TG Purdue Linux Clusters: 13,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 15,000
Teragrid Wide Roaming: 10,000

(4) Gary Glatzmaier, University of California-Santa Cruz
Convection and Magnetic Field Generation in Planets and Stars
TG PSC TCS1: 720,000
PSC Cray XT3: 50,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(5) Nickolay Gnedin, University of Colorado, All Campuses
Formation of Galaxies and Supermassive Black Holes
NCSA IBM P690: 65,600
SDSC Datastar IBM P690: 70,000
TG SDSC IBM P690: 10,000
SDSC TG IBM P690: 70,000
Teragrid Wide Roaming: 10,000

(6) John Hawley, University of Virginia, All Campuses
Computational Mhd for Astrophysical Systems
SDSC Datastar IBM P655: 268,000
TeraGrid Cluster: 194,000
Teragrid Wide Roaming: 30,000

(7) Richard Klein, University of California-Berkeley
Progress Towards A Comprehensive Theory of Star Formation -- From Low to High Mass and On to Giant Molecular Clouds
SDSC Datastar IBM P655: 700,000

(8) Paul Ricker, University of Illinois at Urbana-Champaign
Effects of Nongravitational Physics On the Structure and Evolution of Galaxy Clusters
NCSA SGI Altix: 250,000
NCSA Xeon Linux Supercluster: 50,000

Atmos Sci

(9) Kelvin Droegemeier, University of Oklahoma, All Campuses
Proposal for High-Performance Computing Resources in Support of Storm-Scale Numerical Weather Prediction
NCSA SGI Altix: 400,000
NCSA Xeon Linux Supercluster: 254,000
TG PSC HP Marvel: 48,000
TG PSC TCS1: 1,425,000
PSC Cray XT3: 25,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 10,000
Teragrid Wide Roaming: 10,000

(10) Robert Wilhelmson, University of Illinois at Urbana-Champaign
Improved Understanding/Prediction of Severe Convective Storms and Attendant Phenomena Through Advance Numerical Simulation
NCSA SGI Altix: 225,000
NCSA IBM P690: 5,000
NCSA Xeon Linux Supercluster: 77,000

Biochemistry

(11) Aleksei Aksimentiev, University of Illinois at Urbana-Champaign
Simulations of Nanoscale Biomolecular Systems
NCSA SGI Altix: 300,000

(12) David Baker, University of Washington
Computing Support for Robetta Structure Prediction Server
NCSA Condor Pool: 500,000

(13) David Baker, University of Washington
High Resolution Protein Structure Refinement
NCSA Xeon Linux Supercluster: 350,000
SDSC Datastar IBM P655: 250,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 400,000
Teragrid Wide Roaming: 10,000

(14) Qiang Cui, University of Wisconsin-Madison
Molecular Simulations of Catalysis, Molecular Machine Functions and Biomaterial Properties
NCSA IBM P690: 9,000
NCSA Xeon Linux Supercluster: 250,000

(15) Mark Ellisman, University of California-San Diego
the Biomedical Informatics Research Network
TG SDSC IBM P690: 176,200
Teragrid Wide Roaming: 176,200

(16) Yiannis Kaznessis, University of Minnesota, All Campuses
Modeling and Design of Biomolecular Systems
NCSA Xeon Linux Supercluster: 472,500
TG PSC HP Marvel: 114,400
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 380,000
Teragrid Wide Roaming: 10,000

(17) Zaida Luthey-Schulten, University of Illinois at Urbana-Champaign
Merging Physical Bioinformatics and Molecular Simulations
NCSA SGI Altix: 10,000
Teragrid Wide Roaming: 430,000

(18) Klaus Schulten, University of Illinois at Urbana-Champaign
Simulation of Supramolecular Biological Systems
NCSA SGI Altix: 1,000,000
PSC Cray XT3: 1,275,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 860,000
Teragrid Wide Roaming: 10,000

(19) Joan-Emma Shea, University of California-Santa Barbara
Conformational Analysis of E22 and D23 Substitutions in the 21-30 Fragment of Alzheimer's Amyloid-Beta Peptide
TG PSC TCS1: 85,000
TG SDSC IBM P690: 35,000
Teragrid Wide Roaming: 35,000
TG TACC Cray Dell Linux Cluster: 85,000

Chem Eng

(20) Rayhaneh Akhavan, University of Michigan, All Campuses
Computational Studies of Turbulent Drag Reduction By Dilute Polymer Solutions
SDSC Datastar IBM P655: 140,000

(21) Antony Beris, University of Delaware
Direct Numerical Simulation of Viscoelastic Turbulent Flows
NCSA Xeon Linux Supercluster: 530,000

(22) Krishnan Mahesh, University of Minnesota, All Campuses
Direct Numerical and Large-Eddy Simulation of Complex Turbulent Flows
SDSC IBM BlueGene: 1,000,000
SDSC Datastar IBM P655: 190,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 375,000
Teragrid Wide Roaming: 10,000

(23) Pui-Kuen Yeung, Georgia Institute of Technology, All Campuses
Large Numerical Simulations for Studies of Turbulence Scaling, Mixing and Dispersion
TG PSC TCS1: 1,000,000
PSC Cray XT3: 300,000
SDSC IBM BlueGene: 50,000
SDSC Datastar IBM P655: 500,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

Chemistry

(24) Ivaylo Ivanov, University of California-San Diego
Large Scale Classical and Ab Initio Molecular Dynamics Simulations of Enzymes and Supramolecular Assemblies Involved in Dna Repair
TG PSC TCS1: 250,000
SDSC Datastar IBM P655: 250,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(25) Michael Klein, University of Pennsylvania
Terascale Quantum Simulations for Chemical Biology
NCSA Xeon Linux Supercluster: 900,000
TG PSC TCS1: 550,000
PSC Cray XT3: 1,500,000
SDSC IBM BlueGene: 1,000,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(26) Gregory Voth, University of Utah
Fundamental Dynamical Processes in Condensed Matter
PSC Cray XT3: 1,000,000
SDSC Datastar IBM P655: 800,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 1,700,000
Teragrid Wide Roaming: 10,000
TG TACC Cray Dell Linux Cluster: 100,000

Earth Sci

(27) Jacobo Bielak, Carnegie Mellon University
High Resolution Forward and Inverse Earthquake Modeling On Terascale Systems
TG PSC TCS1: 200,000
PSC Cray XT3: 210,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(28) Dogan Seber, San Diego Supercomputer Center
3-D Modeling of Regional Earthquake Waveforms and Continental Deformation in Western United States
SDSC Datastar IBM P655: 30,000

Mat Sci

(29) Michael Deem, Rice University
Database of Hypothetical Zeolite Structures
NCSA Condor Pool: 750,000
NCSA Xeon Linux Supercluster: 1,000,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000
TG TACC Cray Dell Linux Cluster: 600,000

Mech Eng

(30) Tony Keaveny, University of California-Berkeley
Failure and Damage Mechanisms of Human Bone
SDSC Datastar IBM P655: 506,920

Physics

(31) Julio Facelli, University of Utah
Patallel Genetic Algorithms to Discover Structures of Atomic Clusters: Si Coinage Metals Mixed Cluster
TG SDSC IBM P690: 50,000
Teragrid Wide Roaming: 50,000

(32) Frank Gaitan, Southern Illinois University-Carbondale
Noise, Quantum Adiabatic Serach, and Np-Completeness
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 250,000
Teragrid Wide Roaming: 10,000

(33) Harvey Newman, California Institute of Technology
Monte Carlo Simulations of Qcd Processes At the Lhc: Precision Calibration Studies to Optimize the Discovery Potential for the Higgs Boson in the Cms Environment
TeraGrid Cluster: 150,000

(34) Stuart Shapiro, University of Illinois at Urbana-Champaign
Studies in Theoretical Astrophysics and General Relativity
NCSA IBM P690: 215,000
NCSA Xeon Linux Supercluster: 114,750
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 114,750
Teragrid Wide Roaming: 10,000

(35) Robert Sugar, University of California-Santa Barbara
Lattice Gauge Theory On Parallel Computers
NCSA Xeon Linux Supercluster: 2,277,000
TG PSC TCS1: 3,698,000
PSC Cray XT3: 1,891,500
SDSC IBM BlueGene: 1,000,000
TeraGrid Cluster: 1,000,000

(36) Manuel Tiglio, Louisiana State Univ, All Campuses
Numerical Relativity and Black Hole Mergers
NCSA SGI Altix: 250,000
NCSA IBM P690: 80,000
NCSA Xeon Linux Supercluster: 300,000
SDSC Datastar IBM P655: 20,000
SDSC Datastar IBM P690: 40,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 300,000
Teragrid Wide Roaming: 10,000
TG TACC Cray Dell Linux Cluster: 150,000

Summary of Awards by Discipline
Discipline Total Reqs Total SUs
Adv Sci Comp 1 1,899,877
Astronomy 7 2,924,600
Atmos Sci 2 2,489,000
Biochemistry 9 7,253,300
Chem Eng 4 4,125,000
Chemistry 3 8,110,000
Earth Sci 2 460,000
Mat Sci 1 2,370,000
Mech Eng 1 506,920
Physics 6 12,011,000
Summary of Awards by Machine
Machine Total Reqs Total SUs
NCSA Condor Pool 3 1,320,000
NCSA IBM P690 6 380,600
NCSA SGI Altix 8 2,685,000
NCSA Xeon Linux Supercluster 14 6,639,626
PSC Cray XT3 9 6,272,876
SDSC Datastar IBM P655 12 3,825,928
SDSC Datastar IBM P690 2 110,000
SDSC IBM BlueGene 4 3,050,000
SDSC TG IBM P690 1 70,000
TG NCSA SGI Altix 0
TG PSC HP Marvel 2 162,400
TG PSC TCS1 9 8,666,090
TG Purdue Linux Clusters 1 13,000
TeraGrid Cluster 14 6,163,785
TG SDSC IBM P690 21 697,696
TG TACC Cray Dell Linux Cluster 4 935,000
Teragrid Wide Roaming 23 1,157,696

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