university of toledo national lab day hpc plenary panellanl vision of simultaneous excellence:...

Managed by Triad National Security, LLC for the U.S. Department of Energy's NNSA

University of Toledo National Lab Day

Irene QualtersAssociate Lab Director

Simulation and Computation

October 11, 2019

Los Alamos National Laboratory

HPC Plenary Panel

LA-UR-19-31231

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• The senior DOE Federally Funded Research and Development Center (FFRDC) and operated by Triad National Security, LLC under contract to the National Nuclear Security Administration (NNSA)

• People: >11,000; >1,100 students and > 400 post-docs; 19% PhD.; 47% minorities; 33% female

• Budget: $2.55B• Location: 1,000 buildings on 35 acres

35 miles NW of Santa Fe, NM

Los Alamos National Laboratory Delivering science and technology to protect our nation and promote world stability


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LANL Vision of Simultaneous excellence: Balance between operations and mission

Excellence in Mission Operations

Excellence in Nuclear Security

Excellencein Mission-Focused

Science, Technology,

and Engineering

Excellence in Community

Relations

Execute sustained operations that are reliable and responsive to mission needs

Sustain and enhance LANL’s partnership with

regional and national communities

Design, produce, and certify current and future nuclear weapons and reduce global nuclear threats

Deliver scientific discovery and technical

breakthroughs that support DOE/NNSA

missions


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IBM 4051943

MANIAC I1952

(MPP/Data Parallel) (Vector machine) (SMP) (Massively process parallel) (commodity computing)

CDC 6600 1966

HPC’s mission at the Lab has always been two-fold:• Provide HPC to execute scientific mission• Advance HPC to help execute future scientific mission

(Hybrid architecture)

(Large core memory)

IBM Stretch begat IBM 360 1962

Cray 11976

Cray XMP1983

TMC CM5 1992

SGI Blue Mountain

1998

LNXI Lightning

2004

Roadrunner 2007

Trinity 2016

(Massive Memory/Burst Buffers)

DwaveIsing 2016

(Quantum Annealing)

(Tubes)

(Transistors)

(App, Workflow, Code Exploitation Efficiency)

2012

LANL: Leading edge of computing in service to the mission

(Mechanical)


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“Under ASC, computer simulation capabilities are developed to analyze and predict the performance, safety, and reliability of nuclear weapons and to certify their functionality.”

ASC provides simulation-based confidence in the U.S. stockpile

DOE/NNSA Advanced Simulation and Computing (ASC) program provides the computational surrogate for testing


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LANL provides major HPC systems (and significant broader capability) for mission execution

Classified ASC HPC SystemsFire: Penguin, 1390 teraflop/sIce: Penguin, 1390 teraflop/sCyclone: Penguin, 1390 teraflopsViewmaster2 : Appro, VisualizationTrinity: Cray, 41,800 teraflop/s

Cielo ASC FundedInstitutionally Funded

Unclassified HPC SystemsGrizzly: Penguin, 1890 teraflop/sSnow: Penguin, 464 teraflop/sLightshow: Appro, VisualizationKodiak: Penguin, gpu, 1850 teraflopsTrinitite: Cray, 364 teraflopsBadger: Penguin, 450 teraflopsWoodchuck: Dell, cloud/container 60 teraflopsIsing, DwaveDarwin: test bed for technology/architecture exploration

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Co-design: Hardware, software, applied mathematics & domain science work together to enable scientific discovery

• Co-design is a process, not a goal unto itself

• Directly underpins our broad national security mission

• Crosscuts a wide swath of LANL scientists from STE, Weapons, Global Security

APP!

SW!HW!

Domain Workload!

Exascale Simulation

Environment!

The process of co-design as presented in the ECDC White Paper written by

five exascale co-design centers

Co-design … it’s in our DNA

Suites of Experiment,

Data

High-Performance Computing, Simulation,

Visualization

Theory, Modeling,

Data Analytics

Accelerating Discovery, Innovation, Impact for

Present & Future Complex Missions

Prediction & Control


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Exascale is required to address both urgent and longer-term NNSA needs• Urgent national security exascale drivers:

– Aging and manufacturing challenges in current stockpile systems

– Changing threat environment for both current and future systems

• Longer-term national security issues requiring exascale for resolution include:– Nuclear device disablement– 3D assessment of surety options– Understanding plutonium– Determining the effects of hydrodynamic

mixing on performance• Similar motivations exist for

many science fields– e.g., earth systems modeling

Simulation scale

Teraflops

Petaflops

2D Microns of Cu and Al

Microns ofTa and Fe

Microns ofU and Ce

3D

Exaflops

Mod

el c

ompl

exity


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While our confidence in the stockpile remains high, the approach to underwrite that confidence has changed

The need for resolution and fidelity at scale drives our need for increased computing capability


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Energy Exascale Earth System Model (E3SM) coastal focus

Average Ocean Surface Nitrate

Low resolution Enhanced resolution along North American coasts


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Predictive understanding of human and environmental coastal dynamics for society and national security

New DOE projects

Joint research across DOE/BER, National Laboratories, Academia

Integrated Coastal Modeling (ICoM)

NOAA Arctic Report CardInterdisciplinary Research for Arctic Coastal Environments (InteRFACE)

LANL’s Coastal Grand Challenge

New Science for Multisector

Adaptation (NeMSA)

USGS

Lori Murray


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LANL’s strategic computing priorities extend beyond exascale

• Data aware computing for mission– AI/Machine learning, complex workflows, visualization, programming models

• Current Focus: Domain science-informed machine learning– Experimental-facility-centric data streams– Informed by theory; integrated with simulation; trustworthy– Cyber-physical systems; optimization methodology

• Novel computing architectures, methods, and algorithms– Quantum, Neuromorphic, …– Hybrid and heterogeneous

• Revolutionary approaches to extreme scale computing– Blurring the boundaries of applications, algorithms, software & ASICs post-exascale

(“Co-Design on steroids”)– 3D methods; multiphysics/multiscale approaches– Engineering agility into the software platforms


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LANL’s Data Science at Scale strategy leverages historic strengths to impact emerging directions• Data Science at Scale seeks to exploit the extremely large datasets

and extremely high-rate data-streams from sensors, experimental and observational, embedded computing, and traditional high-performance computing

• Proven Leadership Capabilities– Statistics/UQ …for AI trustworthiness– Visualization & Data Analytics– Robust understanding of physical models

based on theory and experiment

• Emerging Thrusts– Scientific Machine Learning– Data Science for Experimental and Design Workflows Image and

Signal Analysis

Visualizationand DataAnalytics

Statistics/UQ


Machine Learning

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LANL is developing machine learning for science and security missions

• ML has expanded rapidly at LANL• Converging communities of multidisciplinary

researchers• Leveraging historical strengths in computational

physics – “physics-informed ML”• Investing with LDRD program to develop capability

and teams for mission • Engaging community through workshops and

conferences• Developing pipeline with schools and student

internships.


92 AIML publications in 2018

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Applications to Mission Science

OE/GMLC: AE, A, T DOE/NCI: B, T, CCS

Electric Grid

ISO/RTO/BAA

DSO DSO DSO

PrimaryDistribution Substation




Community Solar

RDistribution Scale Storage

Prosumer DER

B2G Services

SDirect Inter-DSO Power Flow

UPFC R

Prosumer DERB2G Services

Merchant Storage

Coordinator node

Laminar terminal node

Inter-domain Communication bus

Electrical connection

Substationcomms agg Substation

comms agg

Grid Edge

Utility Edge

DEV

DER

Comm bus

Comm bus

Comm bus

DER

Agg

Grid Edge

Utility Edge

DEV

DER

Comm bus

Comm bus

Comm bus

DER

Agg

Subs

tatio

n

Feeder

Section

DO

Comm bus Utility FAN

Feeder

Section

SubstationSubstation

Comm bus

Layered decomposition node allocation

Communication network models(Graphical String Notation)

Graphical models for optimal power flow

Cancer

Deep learning for MD, drug response, personalized treatment

High Performance Computing

NNSA/ASC: HPC

Detected Anomalies

Process system logs to identify & correct network, storage & application issues.

Quantum Chemistry and Molecular

Dynamics

Use ML to construct potentials based upon large datasets of quantum calculations

NNSA/ASC


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The Center for Nonlinear Studies (CNLS) stimulates vibrant intellectual exchange in key areas of interest

Mechanistic Studies of Human Disease

Theory and Computation of Quantum Systems

Machine Learning Enhanced Modeling

Dynamics of Systems Far From Equilibrium

Angel E. Garcia, DirectorLos Alamos National Laboratory

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• A robust and diverse postdoctoral fellowships that pairs postdoctoral fellows with laboratory staff

• A graduate student program during the calendar year and a summer student program (27 in 2015; 25 in 2016; 24 students in 2017, 23 in 2018)

• A large visitors program (~200 visitors/ year from academia and industry)• Active colloquium and seminar series (Colloquium, Q-mat seminar, Quantum lunch,

Postdoctoral fellows seminar, and other visitors seminars)• Organization of international conferences that explore science at the interfaces• The Ulam Scholar program that hosts long term (sabbatical) visitors at CNLS

CNLS meets its goals by maintaining:


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Information Science and Technology Institute (ISTI )Summer Schools address strategic areas to fill recruiting pipelines

Summer School Program• 2nd Quantum Computing Summer School

• 3rd Applied Machine Learning Research Internship

• 3rd Cyber Toaster• 4th Parallel Computing School• 9th Computational Co-Design School

• 9th Data Science at Scale School

• 13th Computer Systems, Clusters, and Networking Summer Institute

• Computational Physics Summer Workshop (affiliate)

Co-sponsors• Advanced Simulation and Computing Program• Center for Nonlinear Studies• Center for Space and Earth Science• Office of the Chief Information Officer

103 offers


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High performance computing

• Traditional HPC for National Need• Advanced Solutions for Exascale

Computation• Novel Computing Applications


20Los Alamos National Laboratory

• John Sarrao• Toni Taylor• Joel Kress• Aric Hagberg• Gary Grider• Elizabeth Hunke• Angel Garcia

THANKS to

university of toledo national lab day hpc plenary panellanl vision of simultaneous excellence:...

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