Domain applications broader community perspective
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Domain Applications: Broader Community Perspective. Mixture of apprehension and excitement about programming for emerging architectures. X10?. MPI+OpenACC ?. MPI+CUDA?. Charm++?. MPI+OpenMP ?. Domain Applications: Broader Community Perspective.

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Domain Applications: Broader Community Perspective

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Domain applications broader community perspective

Domain Applications: Broader Community Perspective

  • Mixture of apprehension and excitement about programming for emerging architectures


Domain applications broader community perspective

X10?

MPI+OpenACC?

MPI+CUDA?

Charm++?

MPI+OpenMP?


Domain applications broader community perspective1

Domain Applications: Broader Community Perspective

  • Mixture of apprehension and excitement about programming for emerging architectures

  • Early adopters are the tip of the iceberg – how does this trickle down to the typical computational scientist?

    • What will be the analog(s) to MPI’s standardization of the communicating sequential process programming model?

    • “the MPI standard has been the most significant advancementin practical parallel programming in over a decade, and it is the foundation of the vast majority of modern parallel programs … MPI is evil … MPI’s success further stifled adoption of advanced parallel programming techniques” – Dunning, Harrison, and Nichols (2006).


Domain applications on leadership class platforms

Domain Applications on Leadership-Class Platforms

  • There is a healthy mix of:

    • Evolutionary porting* of today’s codes and algorithms to new architectures, to stress limits of performance and scalability

    • Cross-platform comparison as proxies of future exascale systems, with various node (complexity/heterogeneity of cores, memory bandwidth/complexity) and network (topology and performance) characteristics (and programming models)

    • Revolutionary development of hybrid/hierarchical algorithms tailored to hybrid/hierarchical platforms (e.g. scale-bridging, process engineering examples)

      *Often including significant rewrites, e.g. Fortran+PETSc C+MPI+X={OpenMP,CUDA} for GTC-P.


Domain applications common themes 1 2

Domain Applications – Common Themes (1/2)

  • Importance of international collaborations

    • E.g., E8 exascale climate and fusion projects to tackle shared societal (climate, energy) and technical challenges

  • Continuing adoption of multiphysics* coupling in various domains

    *And multigrid, multiscale, multiprecision, etc.

    • Need for performance measurement, analysis/visualization, and optimization tools appropriate to complexity (hierarchical compute & memory) and scale (millions to billions of threads, variability) of emerging systems


Domain applications common themes 2 2

Domain Applications – Common Themes (2/2)

  • Increased computational power is needed to:

    • Improve physical fidelity, e.g. empirical force fields for biomolecular & materials MD

    • Increase resolution, e.g. Earth system and industrial modeling

    • Increase time scales, e.g. protein folding, PIC convergence

    • Increase ensemble size, e.g. UQ and parameter/design space exploration

    • Tackle non-traditional problems, e.g. computational systems biology, integration of modeling & experiment (“Computational Steering 2.0”)

  • Need to distinguish between “voracious” (more of same – just bigger & faster) vs. “transformational”.(achievement of major new levels of scientific understanding)


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