ARCHIVAL PAGE--see projects.htmlEagle is currently allocated on a cost recovery basis. Projects that have established a costing basis are referred to as designated projects. These include DOE/OBER Climate Change Prediction and Human Genome programs, and the DOE/EE OAAT program. ORNL projects are approved on a case-by-case basis.
DOE/OBER Climate Change Prediction
- ACPI Dynamical Downscaling
- Researchers: L. Ruby Leung, David W. Pierce, Randy X. Bian
DOE/OBER funded project under the Accelerated Climate Prediction Initiative (ACPI) to perform dynamical downscaling of climate scenarios produced by the NCAR/DOE Parallel Climate Model (PCM). The PNNL Regional Climate Model is being applied to the western U.S. Regional simulations will be used to assess the impacts of climate change on water resources in the western U.S. Information about our projects can be found at PNNL ACPI.
- ACPI Avant Garde - High Performance Atmospheric Model Project
- Researchers: Ian Foster, John Drake, Erik Ben Kluzek
Joint DOE/NSF effort. Atmospheric model development and the software design and engineering required for a performance-portable, modular CSM.
- Climate Simulations
- Researchers: Warren M. Washington, Thomas Walter Bettge, Adrianne Middleton, Warren G Strand Jr, Stephen James Thomas, Mary Kathryn Tyree (URL)
DOE/OBER funded project under the Global Change Research Program to perform several century-long, production climate simulations with the Parallel Climate Model (PCM).
- Conveyor Belt Circuluation in World Oceans
- Researchers: Balasubramanya T. Nadiga
DOE/OBER funded work to better understand the thermohaline (conveyor belt) circulation in the world ocean. In addition, intercomparing the thermohaline circulation in POP, a z-level ocean model, and MICOM, an isopycnal ocean model, and studies of mesoscale eddy parameterizations to be used in coarse-resolution ocean models for climate studies.
- Parallel Algorithms and Numerical Methods for Climate Modeling
- Researchers: John Drake, Vince Wayland, Pat Worley, Daniel Guo
DOE/OBER funded project to develop parallel spectral algorithms, semi-Lagrangian methods and dynamical cores of climate models as possible components of next generation coupled climate models.
- Parallel Climate Model Ensemble Calculations and Processing
- Researchers: John Drake, Julie Michelle Arblaster, Anthony Craig, Bill Putman
DOE/OBER funded project in collaboration with NCAR projects to use PCM to explore possible future climates. It involves managing multiple 150 year simulations and post processing the output.
- Performance tuning of the POP ocean model
- Researcher: Philip W. Jones
Relatively short runs for moderately-sized problems in a benchmark configuration to test hybrid OpenMP/MPI formulations for POP, the ocean component of the DOE Parallel Climate Model and the NCAR CSM model.
- Terrestrial Carbon Cycle Modeling
- Researchers: Mac Post, Tony King, Stan Wullschleger, Lynn Tharp
DOE/OBER sponsored project to develop methodologies to evaluate the significance of terrestrial carbon processes in the past and future evolution of the global carbon cycle, and for carbon sequestration analysis.
DOE/OBER Human Genome
- Large scale genome annotation
- Researcher: Phil LoCascio, Doug Hyatt, Michael Galloway
DOE/OBER sponsored project to develop computational tools suitable for large scale genome annotation, including gene modeling, protein homology, protein conformational structure, and other biological features of interest.
DOE/EE Office of Advanced Automotive Technologies
- Car Crash Simulations
- Researcher: Gus Aramayo
DOT-DOE/EE OAAT sponsored development of the mathematical model and the actual computation work in the area of simulation of car-crashes.
- Composite Materials
- Researcher: Srdan Simunovic, Pakal Rahulkumar
DOE/EE OAAT sponsored project to develop material constitutive laws for simulation of failures in composite material for applications in automotive industry.
OASCR Projects
- Linking SP to HPSS production mass storage
- Researchers: Dan Million, Cynthia Nguyen, Vicky White, Carla Giles, Deryl Steinert
DOE/MICS project to use HPSS "mover" servers on the SP for direct access to disk and tape storage devices. Probe projects
- Performance Tuning and Evaluation using the CCM atmospheric model
- Researcher: Pat Worley
DOE/OBER sponsored studies to determine performance and parallel scalability achievable by the spectral global atmospheric circulation models used in climate modeling.
ORNL Projects
- Accelerator Physics Simulation benchmarking and scaling
- Researchers: John W. Cobb, John D. Galambos
- To run benchmark tests of scaling and architecture performance of accelerator physics simulation codes for accelerator physics modeling of the SNS accumulator ring. This involves tracking of many particles through the machine under the influence of space charge. We have developed a parallel version of the code on a small beowulf cluster, and now wish to investigate scaling to a larger number of processors.
- Astrophysical Nuclear Kinetics
- Researchers: Tony Mezzacappa, John Michael Blondin, David Dean, William Raphael Hix, Edwin E. Kolbe, Predrag Krstic, Matthias L Liebendoerfer, Bronson Messer, Eric Stephen Myra, Jorge Miguel Sampaio, David Robert Schultz, Mike Strayer, Douglas Swesty
Benchmark the BOLTZTRAN radiation hydrodynamics code and associated astrophysical nuclear kinetics codes.
- Boundary Element Simulation of Electrochemical Processes for an Electrospray Device
- Researcher: Gary E. Giles
Exploring the perfomance improvements possible by parallelizing boundary element simulations of electrochemical processes for an electrospray device. These simulations require several Boundary Element electrochemical and finite element CFD simulations runs to determine the limiting current of the processes and then final CFD calculaitons to determine the concentration of the ionized species. In serial mode the BE runs require 8-36 hours each. We have a series of 48 cases that we need to simulate.
- Catalytic Materials
- Researcher: Karl Sohlberg, Victor Milman
EERE sponsored computational investigations of catalytic materials (specifically ceria) using first-principles.
- Computational Nanoscience at the Terascale: Self-Assembled Monolayers and Molecular Electronics
- Researchers: David Dean, William H. Butler, Peter Cummings, Shengting Cui, Predrag Krstic, David Schultz, Mike Strayer, Jack Wells
Building a suite of codes for the simulation and characterization of nanoscale molecular devices. Includes use of Density Functional calculations, Monte Carlo techniques, and NWChem.
- CTH Feasibility Study
- Researcher: Dave Simpson
DOE/SNS sponsored assessment of feasibility of performing full-scope 3-D thermal shock analysis of SNS target with CTH hydro code.
- Evaluation of IBM Fortran compiler with OpenMP extensions
- Researchers: Ed D'Azevedo, Hartmut Frenzel
ETPI funded project, "Influence of coupled processes on the fate and transport of industrial mixed waste plumes in structured media", will include porting to the SP3 of HBGC123D, a parallel shared memory code that runs on SGI shared memory multiprocessors.
- Evaluation of IBM memory bus for Fusion codes
- Researcher: Mark Carter
DOE/OFES (Office of Fusion Energy Sciences) sponsored project to test the performance of the IBM memory bus on SMP scaling and overall throughput for various fusion related codes, and to find methods to improve the parallelism of these codes.
- Liquid mercury flow through SNS target
- Researcher: Mark Wendel
DOE/SNS Computational Fluid Dynamics (CFD) simulations for liquid mercury flow through the Spallation Neutron Source (SNS) target using the commercial CFD program CFX5.3, developed by AEA Technology.
- Lubricants for Magnetic Disks
- Researchers: Shengting Cui, P. T. Cummings, Oleg Y. Melnichenko
NSF supported project to understand the properties of the ultra-thin lubricant layer on the surface of magnetic hard disk surface during operation when the lubricant is confined between the slider and the magnetic disk.
- Magnetic Structure of Materials
- Researchers: Malcolm Stocks, Balazs Ujfalussy, Markus Eisenbach
DOE/MICS project to calculate magnetic structure of nano-wires and the magnetic structure of disordered Fe-Mn alloys. Also gathering performance data on materials codes.
- Microstructure of Materials
- Researchers: Balasubramaniam Radhakrishnan, Gorti Sarma
DOE/BES project to develop a basis for describing the mechanical behavior of materials with microstructure as an internal variable to feed into larger length-scale simulations, such as in high strain rate loading of automotive components.
- Parallelization of All Orders Spectral Algorithm (AORSA) code
- Researcher: E.F. Jaeger, Ed D'Azevedo
Advanced Plasma Wave project: To test the parallel version of the All Orders Spectral Algorithm (AORSA) code developed in the plasma theory section of the Fusion Energy Division.
- SNS Radiation Transport Calculations
- Researchers: John Cobb, John Galambos, Franz Gallmeier
- Species Distribution Prediction SEED proposal
- Researcher: Forrest Hoffman
ORNL Seed Money Fund project to use the results for two tree species in a proposal to OBER to make species distribution predictions under scenarios of global environmental change, and to determine ecoregionalizations using higher dimensionality than has ever been done before.
- Structure of Metal Clusters for Nanotechnology Applications
- Researchers: Jack Wells, Wanda Andreoni, Allessandro Curioni, David Dean, Michael Strayer, Victor A Sverdlov
ORNL LDRD projects for application of density-functional-based molecular dynamics to metal clusters (specifically monolayer protected clusters of Ag, Au, and Pt) in collaboration with scientists from IBM-Zurich.
- Virtual Human Project
- Researchers: Richard C. Ward, Chandrasegaran Narasimhan
ORNL LDRD project to simulate biological, chemical, and physical responses of human organs. Includes implementing a parallel version for solving PDEs by Finite Difference Method.
Other Projects
- Environmental Health Initiative
- Researcher: T. P. Straatsma
PNNL LDRD project using molecular dynamics simulation to study the mechanism of protein-protine interaction in the EGFR signaling pathway. In particular, the effect of effector molecules on the reaction mechanisms of ras, with focus on the role of GLN61, a residue that is found to be mutated in 30% of human cancers.
DOE BER funded part of the project involves molecular dynamics simulation of protein-DNA interactions to study the DNA-repair mechanism in pol-beta .
- Testing HBGC123D code
- Researcher: Jack Gwo
NABIR- and EMSP-funded project to test the HBGC123D code on the IBM SP.
- Engineering Simulation Initiative
- Researcher: Moe Khaleel, Monique L Lettau
EE/FE initiative.