Quantum Testbeds Stakeholder Workshop
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Solving sparse linear systems from the discretization of elliptic partial differential equations (PDEs) is an important building block in many engineering applications. Sparse direct solvers can solve general linear systems, but are usually slower and use much more memory than effective iterative solvers. To overcome these two disadvantages, a hierarchical solver (LoRaSp) based on H2-matrices was introduced in [22]. Here, we have developed a parallel version of the algorithm in LoRaSp to solve large sparse matrices on distributed memory machines. On a single processor, the factorization time of our parallel solver scales almost linearly with the problem size for three-dimensional problems, as opposed to the quadratic scalability of many existing sparse direct solvers. Moreover, our solver leads to almost constant numbers of iterations, when used as a preconditioner for Poisson problems. On more than one processor, our algorithm has significant speedups compared to sequential runs. With this parallel algorithm, we are able to solve large problems much faster than many existing packages as demonstrated by the numerical experiments.
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This report describes findings from the culminating experiment of the LDRD project entitled, "Analyst-to-Analyst Variability in Simulation-Based Prediction". For this experiment, volunteer participants solving a given test problem in engineering and statistics were interviewed at different points in their solution process. These interviews are used to trace differing solutions to differing solution processes, and differing processes to differences in reasoning, assumptions, and judgments. The issue that the experiment was designed to illuminate -- our paucity of understanding of the ways in which humans themselves have an impact on predictions derived from complex computational simulations -- is a challenging and open one. Although solution of the test problem by analyst participants in this experiment has taken much more time than originally anticipated, and is continuing past the end of this LDRD, this project has provided a rare opportunity to explore analyst-to-analyst variability in significant depth, from which we derive evidence-based insights to guide further explorations in this important area.
Time integration is a central component for most transient simulations. It coordinates many of the major parts of a simulation together, e.g., a residual calculation with a transient solver, solution with the output, various operator-split physics, and forward and adjoint solutions for inversion. Even though there is this variety in these transient simulations, there is still a common set of algorithms and procedures to progress transient solutions for ordinary-differential equations (ODEs) and differential-alegbraic equations (DAEs). Rythmos is a collection of these algorithms that can be used for the solution of transient simulations. It provides common time-integration methods, such as Backward and Forward Euler, Explicit and Implicit Runge-Kutta, and Backward-Difference Formulas. It can also provide sensitivities, and adjoint components for transient simulations. Rythmos is a package within Trilinos, and requires some other packages (e.g., Teuchos and Thrya) to provide basic time-integration capabilities. It also can be coupled with several other Trilinos packages to provide additional capabilities (e.g., AztecOO and Belos for linear solutions, and NOX for non-linear solutions). The documentation is broken down into three parts: Theory Manual, User's Manual, and Developer's Guide. The Theory Manual contains the basic theory of the time integrators, the nomenclature and mathematical structure utilized within Rythmos, and verification results demonstrating that the designed order of accuracy is achieved. The User's Manual provides information on how to use the Rythmos, description of input parameters through Teuchos Parameter Lists, and description of convergence test examples. The Developer's Guide is a high-level discussion of the design and structure of Rythmos to provide information to developers for the continued development of capabilities. Details of individual components can be found in the Doxygen webpages.
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