Research Computing Initiative

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22 Φεβ 2014 (πριν από 3 χρόνια και 5 μήνες)

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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


Oil, Water & Rock

Properties

(Modified from Gordon Adamson et al, Oilfield Review, 1996)

Predictive model

EOR Injected Fluid

Properties

History
Matching

Fine
-
scale static model

Up
-
scaled static model

Production Data

Well Configurations

Reservoir Simulation (EORI)

Fully dynamic particle
-
based modeling of
three
-
phase flow in a voxel image of the
rock

(Dept. Chem/Petroleum Eng)

(Figure by Bakke, 1997 and
Ø
ren 1998, 2002)


Smoothed Particle
Hydrodynamics


Lattice Boltzmann
Methods


Experimental Scanning
Facilities currently being
acquired

Computational biology at UW

(c/o A. Buerkle, Botany)


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
.

Research areas include:

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)


Aeroacoustic Simulations using High
-
Order Spectral Difference Methods


22M pts, 6
th

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


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.

72 million grid points

Unstructured Mesh
Finite Volume Multigrid

Requires combined
MPI/OMP: 5.2 Tflops

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