Some thoughts on Extreme
Scale Computing
David J. Dean
Senior Advisor
Under Secretary for Science
Department of Energy
The tools have changed rapidly
These were our supercomputers in
the 1970’s and 1980’s
1986:
X
-
MP/48 ~220
Mflop
sustained
120
-
150kW (depending on model)
$40M for
computer+disks
(FY09$)
NNSA:
Roadrunner
at 1.105 PF (
LINPACK)
LANL; 2.5 MW
SC/ASCR:
Jaguar
at
2.331
PF (
LINPACK)
ORNL; 6.9 MW
Factor 1x10
7
in speed
Factor of 18 in power
Today:
Various DOE computing assets serving the
DOE mission space
Machine
Place
Speed
(max)
On list
Since
Jaguar
ORNL
1.75 PF
2009 (1)
Roadrunner
LANL
1.04
PF
2009 (3)
Dawn
LLNL
0.478
PF
2007 (7)
BG/P
ANL
0.458 PF
2007 (8)
NERSC
LBL
0.266 PF
2008
(15)
Red
Storm
SNL
0.204
PF
2009 (17)
Top 500 list, November 2009
Leadership Computing: Scientific Progress at
the Petascale
Nuclear Energy
High
-
fidelity predictive
simulation tools for the design
of next
-
generation nuclear
reactors to safely increase
operating margins.
Fusion Energy
Substantial progress in the
understanding of anomalous
electron energy loss in the
National Spherical Torus
Experiment (NSTX).
Nano
Science
Understanding the atomic and
electronic properties of
nanostructures in next
-
generation photovoltaic solar
cell materials.
Turbulence
Understanding the statistical
geometry of turbulent
dispersion of pollutants in the
environment.
Energy Storage
Understanding the storage and
flow of energy in next
-
generation
nanostructured
carbon tube
supercapacitors
Biofuels
A comprehensive simulation model
of
lignocellulosic
biomass to
understand the bottleneck to
sustainable and economical ethanol
production.
All known sustained
petascale
science applications to date have been run on OLCF system
4
Process for identifying exascale
applications and technology for DOE
missions ensures broad community input
•
Town Hall Meetings April
-
June 2007
•
Scientific Grand Challenges Workshops
November 2008
–
October 2009
•
Climate Science (11/08),
•
High Energy Physics (12/08),
•
Nuclear Physics (1/09),
•
Fusion Energy (3/09),
•
Nuclear Energy (5/09),
•
Biology (8/09),
•
Material Science and Chemistry (8/09),
•
National Security (10/09)
•
Cross
-
cutting workshops
•
Architecture and Technology (12/09)
•
Architecture, Applied Mathematics and
Computer Science (2/10)
•
Meetings with industry (8/09, 11/09)
•
External Panels
•
ASCAC
Exascale
Charge
•
Trivelpiece Panel
MISSION IMPERATIVES
FUNDAMENTAL SCIENCE
5
Simulation enables fundamental
advances in basic science.
•
High Energy Physics
•
Understanding of Dark Energy and Dark
Matter
•
Testing QCD and physics beyond the
standard model
•
Nuclear Physics
•
Unification of nuclear physics from
quark
-
gluon plasma to basics of
nucleon structure to nucleosynthesis
•
Fundamental understanding of fission
and fusion reactions
•
Facility and experimental design
•
Effective design of accelerators
•
Probes of dark energy and dark matter
•
ITER shot planning and device control
6
ITER
ILC
Hubble image
of lensing
Structure of
nucleons
These breakthrough scientific
discoveries and facilities require
exascale applications and technologies.
Computing applied to problems of
National importance
•
Climate
•
Nuclear Energy
•
Smart Grid
•
Nuclear weapons
•
Materials under extremes
•
Combustion
•
Competitiveness
See ASCAC (Rosner Committee) and Trivelpiece reports
Simulations are a key part to solutions
Understand and control chemical and physical phenomena in
multicomponent
systems
from
femtoseconds
to millennia, at temperatures to 1000
°
C and radiation doses
to hundreds of displacements per atom
Example: Fundamental science challenge
for nuclear energy systems
•
Microstructural
evolution and phase stability
•
Mass transport, chemistry, and structural evolution
at interfaces
•
Chemical behavior in actinide and fission
-
product solutes
•
Solution phenomena
•
Nuclear, chemical, and
thermomechanical
phenomena
in fuels and waste forms
•
First
-
principles theory for ƒ
-
electron complexes and
materials
•
Predictive capability across length and time scales
•
Material failure mechanisms
Basic Research Needs for Advanced Nuclear Energy Systems
, Gaithersburg (2006)
8
Example
: The next decade will see Nuclear
Energy models spanning multiple time and
length scales.
9
Bridging length and time scales to resolve scientific unknowns [in nuclear energy] will
require 3D simulations 100x standard resolution = A 10 Exaflop problem.
Science
-
Based, Nuclear Energy Systems Enabled by Advanced Modeling and
Simulation at the Extreme Scale
Critical
Exascale
Technology Investments
10
•
System power
is a first class constraint on
exascale
system performance and effectiveness.
• M
emory
is an important component of meeting
exascale
power and applications goals.
•
Programming model.
Early investment in several efforts to decide in 2013 on
exascale
programming model, allowing exemplar applications effective access to 2015 system for both
mission and science.
•
Investment in
exascale
processor design
to achieve an
exascale
-
like system in 2015.
•
Operating System strategy
for
exascale
is critical for node performance at scale and for
efficient support of new programming models and run time systems.
•
Reliability and resiliency
are critical at this scale and require applications neutral movement of
the file system (for check pointing, in particular) closer to the running apps.
•
HPC co
-
design strategy and implementation
requires a set of a hierarchical performance
models and simulators as well as commitment from apps, software and architecture communities.
Co
-
design expands the feasible
solution space to allow better solutions
11
Exascale
Computing
Need:
Enable dramatic advances in climate modeling, energy technologies,
national security, and science via development of next
-
generation HPC
Challenges:
Next 1000x improvement in computing capability cannot be achieved by
simply scaling up today’s hardware
Power consumption needs to be dramatically reduced to make
exascale
feasible
Millions of processors will present significant challenges for
concurrency and resiliency
New programming models will be required to exploit new architectures
Applications, programming environment, and hardware must be co
-
developed
New architectures will require rethinking applications and programming
environment from the ground up
12
Exascale
Computing Path Forward
We have begun exploratory research efforts (FY10
-
11)
A concerted program would be:
Goal:
exascale
capability by the end of the decade
Lab/industry/academic partnerships to begin hardware and
programming environment R&D
Focus on key applications, including climate, nuclear security, Energy
Simulation topics
High level coordination required to ensure multiple research
programs are appropriately integrated
13
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