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At least 19 records

xSDK-batched Subcontract - Ginkgo Batched Iterative Solver Development (Final Report)

Iterative solvers are fundamentally different from direct solvers in terms of execution as they generally do not execute a pre-defined sequence of operations or steps, but adapt the number of iterations to the specific problem and the preset solution quality. Generally, the adaptation of the iteration count to the problem is realized by monitoring the solver convergence and stopping the iteration process once the monitored metric, e.g., the residual norm, hits a pre-defined threshold. When addressing a set of problems with different properties, it is necessary to monitor the threshold for each problem individually and break up the SIMD execution style to avoid excess iterations for “easier” problems. Ginkgo integrates a simple but customizable stopping criterion for the residual norm and generally uses a pre-defined (relative or absolute) residual norm as the stopping criterion. In order to avoid the overhead of launching a kernel at every iteration, the iteration convergence and iteration control is part of the solver kernel. Each thread maintains its own copy of the iteration count.

97 MATHEMATICS AND COMPUTING↗

Asynchronous Iterative Solvers for Extreme-Scale Computing (Final Report)

This is the final report for the project: Asynchronous Iterative Solvers for Extreme-Scale Computing. This was a collaborative project. This report only covers the activities specific to Georgia Institute of Technology. The project investigated and developed iterative solvers that operate asynchronously, thereby avoiding the high cost of synchronization that is apparent when using standard, synchronous iterative solvers at extreme levels of parallelism.

97 MATHEMATICS AND COMPUTING↗

A family of independent Variable Eddington Factor methods with efficient preconditioned iterative solvers

We present a family of discretizations for the Variable Eddington Factor (VEF) equations that have high-order accuracy on curved meshes and efficient preconditioned iterative solvers. The VEF discretizations are combined with the Discontinuous Galerkin transport discretization from to form effective high-order, linear transport methods. The VEF discretizations are derived by extending the unified analysis of Discontinuous Galerkin methods for elliptic problems presented by Arnold et al. to the VEF equations. This framework is used to define analogs of the interior penalty, second method of Bassi and Rebay, minimal dissipation local Discontinuous Galerkin, and continuous finite element methods. The analysis of subspace correction preconditioners, which use a continuous operator to iteratively precondition the discontinuous discretization, is extended to the case of the non-symmetric VEF system. Numerical results demonstrate that the VEF discretizations have arbitrary-order accuracy on curved meshes, preserve the thick diffusion limit, and are effective on a proxy problem from thermal radiative transfer in both outer transport iterations and inner preconditioned linear solver iterations. We demonstrate that the VEF solution converges to the S N transport solution as the mesh is refined on both problems with smooth and non-smooth behavior in angle. Parallel performance studies show that the interior penalty VEF discretization's linear solve weak scales out to 1024 processors and strong scales well on a single node. Particular attention is paid to the parallel performance of the VEF algorithm when used in combination with a parallel block Jacobi transport sweep.

97 MATHEMATICS AND COMPUTING↗

Asynchronous Iterative Solvers for Extreme-Scale Computing

The Asynchronous Iterative Solvers for Extreme-Scale Computing (AsyncIS) project aims to explore more efficient numerical algorithms by decreasing their overhead. AsyncIS does this by replacing the outer Krylov subspace solver with an asynchronous optimized Schwarz method, thereby removing the global synchronization and bulk synchronous operations typically used in numerical codes. AsyncIS—a U.S. Department of Energy (DOE)-funded collaboration between Georgia Tech, the University of Tennessee, Knoxville, Temple University, and Sandia National Laboratories—also focuses on the development and optimization of asynchronous preconditioners (i.e., preconditioners that are generated and/or applied in an asynchronous fashion). The novel preconditioning algorithms that provide fine-grained parallelism enable preconditioned Krylov solvers to run efficiently on large-scale distributed systems and manycore accelerators like GPUs.

97 MATHEMATICS AND COMPUTING↗

Extending substructure based iterative solvers to multiple load and repeated analyses

Direct solvers currently dominate commercial finite element structural software, but do not scale well in the fine granularity regime targeted by emerging parallel processors. Substructure based iterative solvers--often called also domain decomposition algorithms--lend themselves better to parallel processing, but must overcome several obstacles before earning their place in general purpose structural analysis programs. One such obstacle is the solution of systems with many or repeated right hand sides. Such systems arise, for example, in multiple load static analyses and in implicit linear dynamics computations. Direct solvers are well-suited for these problems because after the system matrix has been factored, the multiple or repeated solutions can be obtained through relatively inexpensive forward and backward substitutions. On the other hand, iterative solvers in general are ill-suited for these problems because they often must restart from scratch for every different right hand side. In this paper, we present a methodology for extending the range of applications of domain decomposition methods to problems with multiple or repeated right hand sides. Basically, we formulate the overall problem as a series of minimization problems over K-orthogonal and supplementary subspaces, and tailor the preconditioned conjugate gradient algorithm to solve them efficiently. The resulting solution method is scalable, whereas direct factorization schemes and forward and backward substitution algorithms are not. We illustrate the proposed methodology with the solution of static and dynamic structural problems, and highlight its potential to outperform forward and backward substitutions on parallel computers. As an example, we show that for a linear structural dynamics problem with 11640 degrees of freedom, every time-step beyond time-step 15 is solved in a single iteration and consumes 1.0 second on a 32 processor iPSC-860 system; for the same problem and the same parallel processor, a pair of forward/backward substitutions at each step consumes 15.0 seconds.

Farhat, Charbel↗

Performance of preconditioned iterative solvers in MFiX–Trilinos for fluidized beds

MFiX, a general-purpose Fortran-based suite, simulates the complex flow in fluidized bed applications via BiCGStab and GMRES methods along with plane relaxation preconditioners. Trilinos, an object-oriented framework, contains various first- and second-generation Krylov subspace solvers and preconditioners. We developed a framework to integrate MFiX with Trilinos as MFiX does not possess advanced linear methods. The framework allows MFiX to access advanced linear solvers and preconditioners in Trilinos. The integrated solver is called MFiX–Trilinos, here after. In the present work, we study the performance of variants of GMRES and CGS methods in MFiX–Trilinos and BiCGStab and GMRES solvers in MFiX for a 3D gas–solid fluidized bed problem. Two right preconditioners employed along with various solvers in MFiX–Trilinos are Jacobi and smoothed aggregation. The flow from MFiX–Trilinos is validated against the same from MFiX for BiCGStab and GMRES methods. And, the effect of the preconditioning on the iterative solvers in MFiX–Trilinos is also analyzed. In addition, the effect of left and right smoothed aggregation preconditioning on the solvers is studied. Finally, the performance of the first- and second-generation solver stacks in MFiX–Trilinos is studied as well for two different problem sizes.

97 MATHEMATICS AND COMPUTING↗

Performance issues for iterative solvers in device simulation

Due to memory limitations, iterative methods have become the method of choice for large scale semiconductor device simulation. However, it is well known that these methods still suffer from reliability problems. The linear systems which appear in numerical simulation of semiconductor devices are notoriously ill-conditioned. In order to produce robust algorithms for practical problems, careful attention must be given to many implementation issues. This paper concentrates on strategies for developing robust preconditioners. In addition, effective data structures and convergence check issues are also discussed. These algorithms are compared with a standard direct sparse matrix solver on a variety of problems.

Fan, Qing↗

Investigation of a Parabolic Iterative Solver for Three-dimensional Configurations

A parabolic iterative solution procedure is investigated that seeks to extend the parabolic approximation used within the internal propagation module of the duct noise propagation and radiation code CDUCT-LaRC. The governing convected Helmholtz equation is split into a set of coupled equations governing propagation in the positive and negative directions. The proposed method utilizes an iterative procedure to solve the coupled equations in an attempt to account for possible reflections from internal bifurcations, impedance discontinuities, and duct terminations. A geometry consistent with the NASA Langley Curved Duct Test Rig is considered and the effects of acoustic treatment and non-anechoic termination are included. Two numerical implementations are studied and preliminary results indicate that improved accuracy in predicted amplitude and phase can be obtained for modes at a cut-off ratio of 1.7. Further predictions for modes at a cut-off ratio of 1.1 show improvement in predicted phase at the expense of increased amplitude error. Possible methods of improvement are suggested based on analytic and numerical analysis. It is hoped that coupling the parabolic iterative approach with less efficient, high fidelity finite element approaches will ultimately provide the capability to perform efficient, higher fidelity acoustic calculations within complex 3-D geometries for impedance eduction and noise propagation and radiation predictions.

Nark, Douglas M.↗

Linear iterative solvers for implicit ODE methods

The numerical solution of stiff initial value problems, which lead to the problem of solving large systems of mildly nonlinear equations are considered. For many problems derived from engineering and science, a solution is possible only with methods derived from iterative linear equation solvers. A common approach to solving the nonlinear equations is to employ an approximate solution obtained from an explicit method. The error is examined to determine how it is distributed among the stiff and non-stiff components, which bears on the choice of an iterative method. The conclusion is that error is (roughly) uniformly distributed, a fact that suggests the Chebyshev method (and the accompanying Manteuffel adaptive parameter algorithm). This method is described, also commenting on Richardson's method and its advantages for large problems. Richardson's method and the Chebyshev method with the Mantueffel algorithm are applied to the solution of the nonlinear equations by Newton's method.

Saylor, Paul E.↗

Fast nonlinear iterative solver for an implicit, energy-conserving, asymptotic-preserving charged-particle orbit integrator

Here recently, an asymptotic-preserving (AP) particle orbit integrator has been proposed with remarkable properties including exact energy conservation, the ability to capture of all first-order drifts (including the ∇B-drift), the ability to capture trapped-passing boundaries with parallel velocity extremely close to the critical velocity, and the ability to transition from strongly to weakly magnetized spatial regions. The new AP orbit integrator is implicit, employing a Crank-Nicolson (CN) temporal discretization to ensure exact energy conservation. This, in turn, requires a local nonlinear iteration involving particle velocities and positions, and the local electromagnetic fields, to obtain the new-time solution. Ref. [1] did not attempt to provide an efficient solver for this system, and employed a brute-force GMRES-driven Jacobian-free Newton-Krylov (JFNK) solver to invert the particle orbit equations at every timestep for expediency. While JFNK is robust and reliable, it is also expensive and very intrusive for practical implementations of the method (it requires having the JFNK machinery available and solving a 6 x 6 Jacobian system iteratively once per iteration per particle).

97 MATHEMATICS AND COMPUTING↗

Initial Exploration of the Use of Mixed Precision in Iterative Solvers (B639388 Subcontract Quarter I Report)

The first quarter of the project was primarily spent identifying potential projects at the intersection of finite precision analysis, mixed precision computation, and Krylov subspace methods. We summarize our findings in the remainder of the document. Other activities include attending biweekly xSDK meetings as well as contributing material to the technical report and journal versions of the multiprecision landscape paper. The subsequent quarter will be spent selecting a subset of the described projects to focus on, performing initial numerical experiments to evaluate the potential for the use of mixed precision, and developing initial theoretical analysis.

97 MATHEMATICS AND COMPUTING↗

Quarter 4 Report: Report on Final Findings and Opportunities for Future Work in the Use of Mixed Precision in Iterative Solvers

The fourth quarter of the project was spent developing an error analysis of the s-step Lanczos and CG algorithms. Our theoretical bounds and numerical experiments show that the numerical behavior of the algorithm can be significantly improved by using extra precision in a small part of the computation related to the computation and application of the Gram matrix. We have published a technical report which includes all steps of the analysis [8]; a shortened version for journal submission is in preparation. We plan to submit this paper in the following weeks. Activities related to this also include a collaboration with Ichitaro Yamazaki on gathering performance results for these new mixed precision s-step Krylov subspace methods using single/double precision on GPUs. Namely, we would like to obtain performance results that show that the performance overhead of using double the working precision in these select computations is minimal. Other activities include attending biweekly xSDK meetings and presenting a pitch talk on this work to the group on February 25, 2021. In the remainder of the document, we summarize our findings on the potential for mixed precision in classical Krylov subspace methods and s-step Krylov subspace methods, as well as key opportunities for future work.

97 MATHEMATICS AND COMPUTING↗