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My Mandate : To articulate a unified vision and roadmap for transformational and scalable simulation capabilities for physics-based applications. PowerPoint PPT Presentation


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SAND 2007-7417C Unclassified, Unlimited Release. Andy Salinger, 11/08/2007, 9:30-10:30am. My Mandate : To articulate a unified vision and roadmap for transformational and scalable simulation capabilities for physics-based applications. . Motivations :

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My Mandate : To articulate a unified vision and roadmap for transformational and scalable simulation capabilities for physics-based applications.

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My mandate to articulate a unified vision and roadmap for transformational and scalable simulation capabilities for phy

SAND 2007-7417C

Unclassified, Unlimited Release

Andy Salinger, 11/08/2007, 9:30-10:30am

  • My Mandate:

    • To articulate a unified vision and roadmap for transformational and scalable simulation capabilities for physics-based applications.

  • Motivations:

    • Rapid development of new production codes

    • Transformational design, analysis, and decision-support capabilities

    • Benefit: Creates a framework for making funding, staffing, and program development decisions

  • Working Hypothesis: Our common modeling and simulation goals will best be met by delivering:

    • A full range of independent yet interoperable software components

    • Software quality tools and procedures

    • Prototype applications that demonstrate use cases, vertical integration, and verification

The Working Draft of this Vision follows


My mandate to articulate a unified vision and roadmap for transformational and scalable simulation capabilities for phy

Analysis Tools

(non-invasive)

Components* for the Rapid Development of Production Applications with Transformational Design, Analysis, and Decision-Support Capabilities

Optimization

Mesh Tools

Parameter Studies

Mesh I/O

UQ (non-invasive)

Inline Meshing

V&V, Calibration

Partitioning

OUU, Reliability

Load Balancing

Utilities

Computational Steering

Adaptivity

Input File Parser

Remeshing

Composite Physics

Parameter List

Analysis Tools

(invasive)

Grid Transfers

MultiPhysics Coupling

I/O Management

Mesh Quality

Solution Control

Nonlinear Solver

Memory Management

System Models

Time Integration

Communicators

System UQ

Mesh Database

Continuation

Runtime Compiler

Mesh Database

Sensitivity Analysis

MultiCore

Parallelization Tools

Geometry Database

Stability Analysis

Solution Database

Constrained Solves

Optimization

Local Fill

UQ Solver

PostProcessing

Discretizations

Visualization

Linear Algebra

Discretization Library

Physics Fill

Verification Tools

Data Structures

Variable Manager

Element Level Fill

Feature Extraction

Iterative Solvers

Material Models

Data Reduction

Direct Solvers

Model Reduction

Derivative Tools

Objective Function

Eigen Solver

UQ / PCE

Propagation

Constraints

Preconditioners

Error Estimates

Matrix Partitioning

Derivatives

MMS Source Terms

Architecture-

Dependent Kernels

Sensitivities

*capabilities accessible in-core (online) via libraries


My mandate to articulate a unified vision and roadmap for transformational and scalable simulation capabilities for phy

Offline Capabilities for the Rapid Development of Production Applications with Transformational Design, Analysis, and Decision-Support Capabilities

Demonstration Apps

Software Quality

Offline Capabilities

Template Applications

Demonstrating

Expected Use-Cases

Version Control

Visualization

Bug Tracking

Order Verification

FEApp

Release Process

Reduced Order Modeling

Mantevo Beam

Mailing Lists

Regression Testing

Meshing

Scientific Applications

Providing Pull

Performance Testing

BlackBox Optmization

Code Coverage

Sampling UQ

Sundance

Porting

Tramonto

Charon

Aria

Aleph


Some feedback so far

Start a Wiki.

Some Feedback So Far

Adaptivity comes with a huge

price – do we really want it?

What’s the target date

for finishing this?

This is too ambitious – it is doomed to fail.

Don’t put 1500 on the critical path, they have different pressures.

“Part of your job is to define ‘Production’”.

Need to design interfaces that are general, flexible extensible, C++, templated.

Need a low barrier for entry – have a simple interface as an option.

There aren’t enough resources to go it alone – we need to partner with Sierra.

A code isn’t verified until certified by Dakotatm.

Need 1400 flagship science

app for pull/demonstration.

Talk to non-traditional

apps like nanoparticles.

Isn’t this just Trilinos?


Now on to a roadmap

Now, on to a RoadMap.

What’s a roadmap look like?


My mandate to articulate a unified vision and roadmap for transformational and scalable simulation capabilities for phy

  • Paths Forward -- All in parallel:

    • Modularize existing capabilities into components

    • Make components interoperable where it makes sense

    • Create collected interfaces around clumps of components

    • Develop demonstration/prototype applications for:

      • Vertical integration of algorithmic capabilities

      • Software environment

      • Verification procedures

    • Propagate capabilities into Sandia Apps

      • Improve capabilities

      • Decrease maintenance costs

    • Research future capabilities, including:

      • Intrusive UQ and Decision Support

      • MultiCore Algorithms

      • Compatible and Hybrid Discretizations

      • Your current work

The Goals:Rapid Production Transformational


My mandate to articulate a unified vision and roadmap for transformational and scalable simulation capabilities for phy

Some Familiar Components

Analysis Tools

(non-invasive)

Some Collected Interfaces

e.g. Dakota

Mesh Tools

e.g. Zoltan, Encore

Composite Physics

DakotaApplicInterface

e.g. SolutionControl, BRISC

Utilities

e.g. Teuchos

ITAPS Interfaces

Analysis Tools

(invasive)

XML

e.g. NOX, Moocho

Mesh Database

e.g. MOAB, phdMesh

Input File

ModelEvaluator

Thyra::LOWS,

Stratimikos

Local Fill

PostProcessing

Discretizations

e.g. ParaView, Encore

Linear Algebra

e.g. Intrepid, SierraEL

Physics Fill

e.g. Epetra, ML

e.g. Charon, Salinas

Derivative Tools

e.g. Sacado, ADIC

<Scalar>

FEI


My mandate to articulate a unified vision and roadmap for transformational and scalable simulation capabilities for phy

Gap Analysis

On board with well defined path

Analysis Tools

(non-invasive)

On board, still defining path

Optimization

Mesh Tools

Open to participating, no path yet

Parameter Studies

Mesh I/O

Have not deeply engaged yet

UQ (non-invasive)

Inline Meshing

Said “No Thanks”

V&V, Calibration

Partitioning

Is this a roadmap???

OUU, Reliability

Load Balancing

Utilities

Computational Steering

Adaptivity

Input File Parser

Remeshing

Composite Physics

Parameter List

Analysis Tools

(invasive)

Grid Transfers

MultiPhysics Coupling

I/O Management

Mesh Quality

Solution Control

Nonlinear Solver

Memory Management

System Models

Time Integration

Communicators

System UQ

Mesh Database

Continuation

Runtime Compiler

Mesh Database

Sensitivity Analysis

MultiCore

Parallelization Tools

Geometry Database

Stability Analysis

Solution Database

Constrained Solves

Optimization

Local Fill

UQ Solver

PostProcessing

Discretizations

Visualization

Linear Algebra

Discretization Library

Physics Fill

Verification Tools

Data Structures

Variable Manager

Element Level Fill

Feature Extraction

Iterative Solvers

Material Models

Data Reduction

Direct Solvers

Model Reduction

Derivative Tools

Objective Function

Eigen Solver

UQ / PCE

Propagation

Constraints

Preconditioners

Error Estimates

Matrix Partitioning

Derivatives

MMS Source Terms

Architecture-

Dependent Kernels

Sensitivities


My mandate to articulate a unified vision and roadmap for transformational and scalable simulation capabilities for phy

Derivative Tools

Codes:Sacado, (Adic, Adifor)

Interfaces:template <Scalar>

UQ / PCE

Propagation

Derivatives

Sensitivities

Capability Lead:Phipps

Interoperability Lead:Phipps

Other POCs:Gay

Is this a roadmap???

Current Capabilities:

Derivatives of templated code, second derivatives, Taylor Polynomials

Ongoing Development:

Intrusive PCE propagation for UQ, Adjoints for error estimation

Gaps / Opportunities:

Other intrusive UQ methods, interval arithmetic, production uses outside of Charon,

Current Interoperability:Requires templating of code at element level

Desired Interoperability:For PCE, need to form and solve block matrix

  • Milestones (owner, date):

  • Demonstrate propagation of PCE with Sacado on demoApp (Phipps, FY08Q2)

  • Form and solve block matrix with parallelism (Salinger/Phipps, FY08Q3)

  • Compare Intrusive UQ to Stochastic Collocation (Phipps, FY08Q4)

  • Adjoints for error estimation in Charon (many, FY08Q4)

  • Put PCE into Charon (Phipps, FY09Q1)

  • Use in Aria (TBD)

  • Investigate hybrid intrusive-sampling approaches (TBD)


Pde verification 101 with knupp ober

PDE Verification 101 (with Knupp, Ober)

Draft


Things you can do to help

Work towards the vision, with your current funding and in your proposals

Things you can do to help

  • Help form vision and roadmap so that you believe in them, or at least trust that they are a consensus.

  • Be aware of other work – there is too much redundancy and non-interoperability. (Attend some department reviews.)

  • In applications, work to create general, reusable components, to improve our capability base for the next customer

  • In applications, take the time to adopt components and ripen capabilities


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