Transcript for advisory October 25, 2002

Research Computing Initiative
Dimitri Mavriplis
Department of Mechanical Engineering
Alex Buerkle
Department of Botany
Dan Stanescu
Department of Mathematics
Research Computing at UW
• The RCI fills various roles
– EPSCoR RII calls for comprehensive
cyberinfrastructure plan
• RCI fills this role
– Computational Science is a strategic area of
emphasis at UW
• RCI will provide focus across campus
• RCI will leverage current and growing UW
strengths in this area
Research Computing at UW
• The RCI is research centric
– Cyberinfrastructure to further research goals
of ESICT (FOSTER/SOLPIN)
• The RCI has an academic component
– Interdisciplinary minor in Computational
Science
RCI for ESICT
• Provide hardware/software and expertise
to support SOLPIN, FOSTER and other
experiments
– Networks : Data acquisition, retrieval,
dissemination
– Mass storage facility: Data archiving, mining
– High performance computing hardware:
Simulation as complement to observational
data
RCI across Campus
• UW has targeted computational science
as area of emphasis
– Growing importance in all science areas
– Energy related areas in particular
– Various recent faculty hires
– NCAR Petaflops center
• Campus wide facility/expertise required to
advance to further this emphasis
Academic Component : ICS Minor
• Undergraduate minor in computational science
approved and underway, Graduate minor degree
program under formation
– Core required courses combined with elective
courses
– Requires development of various new courses
– Interdisciplinary nature is key
• Mathematics, computer science, science domain
• Training future computational scientists is
recognized as a national imperative
RCI Hardware
• Fast networks and good connectivity for
SOLPIN/FOSTER
• Petabyte storage facility
• High performance computing (HPC)
platform
– e.g. 2000 cpus
– Necessary to bridge gap between ad-hoc
departmental clusters and national
supercomputing facilities (NCAR, others)
RCI Personnel
• 3 support staff positions
– Head System administrator/HPC specialist
• Administer RCI facility, provide HPC expertise
– Assistant System administrator/HPC specialist
• Support facility, scientific libraries, training
– HPC Application support position
• Application domain HPC specialist
• Positions report to IT Department
• Overseen by RCI Director (Faculty member)
RCI Related Faculty Positions
• Request 2 faculty positions through EPSCoR RII
– Support for startup packages
• Faculty Areas of Specialization:
– 1: Computer Architectures for High Performance
Computing
• (Dept. of Computer Science )
– 2: Computational Science
• Broad search, Earth science related
• Joint appointment possible
– e.g. science domain, math or computer science
Reservoir Simulation (EORI)
Fine-scale static model
Production Data
Well Configurations
Up-scaled static model
History
Matching
Predictive model
Oil, Water & Rock
Properties
EOR Injected Fluid
Properties
(Modified from Gordon Adamson et al, Oilfield Review, 1996)
Fully dynamic particle-based modeling of
three-phase flow in a voxel image of the
rock (Dept. Chem/Petroleum Eng)
• Smoothed Particle
Hydrodynamics
• Lattice Boltzmann
Methods
• Experimental Scanning
Facilities currently being
acquired
(Figure by Bakke, 1997 and Øren 1998, 2002)
Computational biology at UW
(c/o A. Buerkle, Botany)
Research areas include:
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Reconstruction of evolutionary
relationships and ancestral states
among organisms (phylogenetics).
Comparative and population
genomics to discover genes of
significance to human health,
agriculture and adaptation.
•
Modeling of 3D protein structure.
Computational tasks:
Partial representation of mammalian supertree (from
Bininda-Emonds et al. 2007, Nature 446:507)
•
Estimation of evolutionary trees of
protein structures are large optimization
problems
•
Many inferences are based on large sets
of (often parallel) simulations
•
UW work currently on mid-size clusters.
Ripe for migration to higher capacity
hardware
Computational Aeroacoustics
Dan Stanescu (Math)
•
•
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Aeroacoustic Simulations using High-Order Spectral Difference Methods
22M pts, 6th order accurate in space
Run on up to 512 CPUS (IBM Power4)
Round Jet Simulation
(Dan Stanescu)
• Iso-vorticity surfaces for round jet flow
• Mesh size 40 x 30 x 30 , p = 4
• Reynolds number = 100,000, Mach = 0.15
Scalability of Unstructured Mesh Multigrid
Solver on NASA Columbia Supercomputer
72 million grid points
Unstructured Mesh
Finite Volume Multigrid
Requires combined
MPI/OMP: 5.2 Tflops
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D. Mavriplis, M. Aftosmis, M. Berger: High-Resolution Aerospace Applications on the
NASA Columbia Supercomputer, Best paper award, SC05, Seattle, Nov 2005
Blue Gene/L, Cray XT-3 Benchmarks.
Summary
• Research Computing Initiative will provide
critical support for the ESICT project
– Indispensible cyberinfrastructure component
• RCI will result in an integrative strategy for
research computing across campus
– Focus and support for research programs
– Coordinate educational efforts