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Domain Applications: Broader Community Perspective

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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  1. Domain Applications: Broader Community Perspective • Mixture of apprehension and excitement about programming for emerging architectures

  2. X10? MPI+OpenACC? MPI+CUDA? Charm++? MPI+OpenMP?

  3. 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).

  4. 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.

  5. 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

  6. 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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