No abstract

Scientific and engineering computing rely heavily on linear algebra for large-scale data analysis, modeling and simulation, machine learning, and other applied problems. Sparse linear system solution often dominates the execution time of such applications, prompting the ongoing development of highly optimized iterative algorithms and high-performance parallel implementations. In the Lighthouse project, we enable application developers with varied backgrounds to readily discover and effectively apply the best available numerical software for their problems, aiming to maximize both developer productivity and application performance. Lighthouse is a search-based expert system built on a software taxonomy that combines expert knowledge, machine learningbased classification of existing numerical software collections, and automated code generation and optimization. In this paper we present the integration of PETSc and Trilinos iterative solvers for sparse linear systems into the Lighthouse framework. In addition to functional information in the taxonomy, we have created a comprehensive machine learning-based workflow for the automated classification of sparse solvers, which can be generalized to other types of rapidly evolving numerical methods. We present a comparative analysis of the solver classification results for a varied set of input problems and machine learning methods, achieving up to 93% accuracy in identifying the best-performing linear solution methods in PETSc and Trilinos.

No abstract

Scientific discovery increasingly relies on computation through simulations, analytics, and machine and deep learning. Of these, simulations on high-performance computing (HPC) platforms have been the cornerstone of scientific computing for more than two decades. However, the development of simulation software has, in general, occurred through accretion, with a few exceptions. With an increase in scientific understanding, models have become more complex, rendering an accretion mode untenable to the point where software productivity and sustainability have become active concerns in scientific computing. In this survey paper, we examine a modest set of HPC scientific simulation applications that are already using cutting-edge HPC platforms. Several have been in existence for a decade or more. Our objective in this survey is twofold: first, to understand the landscape of scientific computing on HPC platforms in order to distill the currently scattered knowledge about software practices that have helped both developer and software productivity, and second, to understand the kind of tools and methodologies that need attention for continued productivity.

No abstract