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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Two-Stage Gauss-Seidel Preconditioners and Smoothers for Krylov Solvers on a GPU Cluster: Preprint

Gauss-Seidel (GS) relaxation is often employed as a preconditioner for a Krylov solver or as a smoother for Algebraic Multigrid (AMG). However, the requisite sparse triangular solve is difficult to parallelize on many-core architectures such as graphics processing units (GPUs). In the present study, the performance of the sequential GS relaxation based on a triangular solve is compared with two-stage variants, replacing the direct triangular solve with a fixed number of inner Jacobi-Richardson (JR) iterations. When a small number of inner iterations is sufficient to maintain the Krylov convergence rate, the two-stage GS (GS2) often outperforms the sequential algorithm on many-core architectures. The GS2 algorithm is also compared with JR. When they perform the same number of ops for SpMV (e.g. three JR sweeps compared to two GS sweeps with one inner JR sweep), the GS2 iterations, and the Krylov solver preconditioned with GS2, may converge faster than the JR iterations. Moreover, for some problems (e.g. elasticity), it was found that JR may diverge with a damping factor of one, whereas two-stage GS may improve the convergence with more inner iterations. Finally, to study the performance of the two-stage smoother and preconditioner for a practical problem, these were applied to incompressible uid ow simulations on GPUs.

algebraic multigrid↗
DOE OSTI2026

Algebraic Multigrid with Filtering: An Efficient Preconditioner for Interior Point Methods in Large-Scale Contact Mechanics Optimization

Large-scale contact mechanics simulations are crucial in many engineering fields such as structural design and manufacturing. In the frictionless case, contact can be modeled by minimizing an energy functional; however, these problems are often nonlinear, nonconvex, and increasingly difficult to solve as mesh resolution increases. In this work, we employ a Newton-based interior-point (IP) filter line-search method, an effective approach for large-scale constrained optimization. While this method converges rapidly, each iteration requires solving a large saddle-point linear system that becomes ill-conditioned as the optimization process converges, largely due to IP treatment of the contact constraints. Such ill-conditioning can hinder solver scalability and increase iteration counts with mesh refinement. Here, to address this, we introduce a novel preconditioner, algebraic multigrid with filtering (AMGF), tailored to the Schur complement of the saddle-point system. Building on the classical AMG solver, commonly used for elasticity, we augment it with a specialized subspace correction that filters near null space components introduced by contact interface constraints. Through theoretical analysis and numerical experiments on a range of linear and nonlinear contact problems, we demonstrate that the proposed solver achieves mesh independent convergence and maintains robustness against the ill-conditioning that notoriously plagues IP methods. These results indicate that AMGF makes contact mechanics simulations more tractable and broadens the applicability of Newton-based IP methods in challenging engineering scenarios. More broadly, AMGF is well suited for problems, optimization or otherwise, where solver performance is limited by a low-dimensional subspace, such as those arising from localized constraints, interface conditions, or model heterogeneities. This makes the method widely applicable beyond contact mechanics and constrained optimization.

Mathematics and Computing↗
NASA NTRS1999

Solving Upwind-Biased Discretizations: Defect-Correction Iterations

This paper considers defect-correction solvers for a second order upwind-biased discretization of the 2D convection equation. The following important features are reported: (1) The asymptotic convergence rate is about 0.5 per defect-correction iteration. (2) If the operators involved in defect-correction iterations have different approximation order, then the initial convergence rates may be very slow. The number of iterations required to get into the asymptotic convergence regime might grow on fine grids as a negative power of h. In the case of a second order target operator and a first order driver operator, this number of iterations is roughly proportional to h-1/3. (3) If both the operators have the second approximation order, the defect-correction solver demonstrates the asymptotic convergence rate after three iterations at most. The same three iterations are required to converge algebraic error below the truncation error level. A novel comprehensive half-space Fourier mode analysis (which, by the way, can take into account the influence of discretized outflow boundary conditions as well) for the defect-correction method is developed. This analysis explains many phenomena observed in solving non-elliptic equations and provides a close prediction of the actual solution behavior. It predicts the convergence rate for each iteration and the asymptotic convergence rate. As a result of this analysis, a new very efficient adaptive multigrid algorithm solving the discrete problem to within a given accuracy is proposed. Numerical simulations confirm the accuracy of the analysis and the efficiency of the proposed algorithm. The results of the numerical tests are reported.

Diskin, Boris↗
DOE OSTI2024

Milestone 49 Report: Batched Sparse LA Phase 5 Implementation

Batched sparse linear algebra operations in general, and solvers in particular, have become the major algorithmic development activity and foremost performance engineering effort in the numerical software libraries work on modern hardware with accelerators such as GPUs. Many applications, ECP and non-ECP alike, require simultaneous solutions of many small linear systems of equations that are structurally sparse in one form or another. In order to move towards high hardware utilization levels, it is important to provide these applications with appropriate interface designs to be both functionally efficient and performance portable and give full access to the appropriate batched sparse solvers running on modern hardware accelerators prevalent across DOE supercomputing sites since the inception of ECP. To this end, we present here a summary of recent advances on the interface designs in use by HPC software libraries supporting batched sparse linear algebra and the development of sparse batched kernel codes for solvers and preconditioners. We also address the potential interoperability opportunities to keep the corresponding software portable between the major hardware accelerators from AMD, Intel, and NVIDIA, while maintaining the appropriate disclosure levels conforming to the active NDA agreements. The presented interface specifications include a mix of batched band, sparse iterative, and sparse direct solvers with their accompanying functionality that is already required by the application codes or we anticipated to be needed in the near future. This report summarizes progress in Kokkos Kernels and the xSDK libraries MAGMA, Ginkgo, hypre, PETSc, and SuperLU.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

ALESQP: An Augmented Lagrangian Equality-Constrained SQP Method for Optimization with General Constraints

Here we present a new algorithm for infinite-dimensional optimization with general constraints, called ALESQP. In short, ALESQP is an augmented Lagrangian method that penalizes inequality constraints and solves equality-constrained nonlinear optimization subproblems at every iteration. The subproblems are solved using a matrix-free trust-region sequential quadratic programming (SQP) method that takes advantage of iterative, i.e., inexact linear solvers, and is suitable for large-scale applications. A key feature of ALESQP is a constraint decomposition strategy that allows it to exploit problem-specific variable scalings and inner products. We analyze convergence of ALESQP under different assumptions. We show that strong accumulation points are stationary. Consequently, in finite dimensions ALESQP converges to a stationary point. In infinite dimensions we establish that weak accumulation points are feasible in many practical situations. Under additional assumptions we show that weak accumulation points are stationary. We present several infinite-dimensional examples where ALESQP shows remarkable discretization-independent performance in all of its iterative components, requiring a modest number of iterations to meet constraint tolerances at the level of machine precision. Also, we demonstrate a fully matrix-free solution of an infinite-dimensional problem with nonlinear inequality constraints.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2012

Equivalent Source Method Applied to Launch Acoustic Simulations

Aeroacoustic simulations of the launch environment are described. A hybrid computational fluid dynamics (CFD)/computational aeroacoustic (CAA) approach is developed in order to accurately and efficiently predict the sound pressure level spectrum on the launch vehicle and surrounding structures. The high-fidelity CFD code LAVA (Launch Ascent and Vehicle Analysis), is used to generate pressure time history at select locations in the flow field. A 3D exterior Helmholtz solver is then used to iteratively determine a set of monopole sources which mimic the noise generating mechanisms identified by the CFD solver. The acoustic pressure field generated from the Helmholtz solver is then used to evaluate the sound pressure levels.

Housman, Jeffrey A.↗
DOE OSTI2026

Delayed Neutron Precursor Group Parameter and Spectra Generation from Fast Fission of 235U in SCALE

Delayed neutron precursor (DNP) group data are important for modeling reactor dynamics. Although the data for individual DNPs have been developed over time, the DNP group data present in the Evaluated Nuclear Data Files (ENDF) have not been updated in the past 20 years. In this work, we use SCALE to recreate the Godiva experiment that was used to generate the original DNP group structure for fast fission of 235U. However, each DNP is modeled using up-to-date data, and the results are then converted into a newly updated group structure. This conversion uses an iterative linear least squares solver to minimize chi-squared. The approaches used in this work also enable energy spectrum generation and uncertainty tracking. The method used in this paper for fast 235U fission DNP group structure updating can be applied to different energies and fissile nuclides. Demonstration of the uncertainty tracking in reactor kinetics and dynamics simulations is shown using point reactor kinetics simulations. Results show that there are data discrepancies between the International Atomic Energy Agency database and data used in ORIGEN, which are currently being fixed. Results also show that the proposed method for group spectra generation performs well.

Seifert, Luke [University of Illinois]↗
NASA NTRS1982

Profiles of electrified drops and bubbles

Axisymmetric equilibrium shapes of conducting drops and bubbles, (1) pendant or sessile on one face of a circular parallel-plate capacitor or (2) free and surface-charged, are found by solving simultaneously the free boundary problem consisting of the augmented Young-Laplace equation for surface shape and the Laplace equation for electrostatic field, given the surface potential. The problem is nonlinear and the method is a finite element algorithm employing Newton iteration, a modified frontal solver, and triangular as well as quadrilateral tessellations of the domain exterior to the drop in order to facilitate refined analysis of sharply curved drop tips seen in experiments. The stability limit predicted by this computer-aided theoretical analysis agrees well with experiments.

Basaran, O. A.↗
NASA NTRS1991

An efficient advancing front algorithm for Delaunay triangulation

There has been some recent interest in fluid dynamics calculations on unstructured meshes. One method of unstructured mesh generation involves Delaunay triangulation. This method has certain advantages but it can be expensive to implement. Furthermore, there can be problems with crossing grid lines near boundaries. A method shown here avoids many of the robustness and efficiency problems previously associated with Delaunay triangulation. As an added feature, a simple algorithm is shown which allows removal of diagonal edges from cells that are nearly rectangular. This can result in significant savings in the cost per iteration of a flow solver using this grid.

Merriam, Marshal L.↗
NASA NTRS1992

Optimum design of ninety degree bends

An algorithm for the optimum design of an internal flow component to obtain the maximum pressure rise is presented. Maximum pressure rise in a duct with simultaneous turning and diffusion is shown to be related to the control of flow separation on the passage walls. Such a flow is usually associated with downstream conditions that are desirable in turbomachinery and propulsion applications to ensure low loss and stable performance. The algorithm requires the solution of an 'adjoint' problem in addition to the 'direct' equations governing the flow in a body, which in the present analysis are assumed to be the laminar Navier-Stokes equations. The theoretical framework and computational algorithms presented in this study are for the steady Navier-Stokes equations. A procedure is developed for the numerical solution of the adjoint equations. This procedure is coupled with a direct solver in a design iteration loop, that provides a new shape with a higher pressure rise. This procedure is first validated for the design of optimum plane diffusers in two-dimensional flow. The direct Navier-Stokes and the 'adjoint' equations are solved using a finite volume formulation for spatial discretization in an artificial compressibility framework. A simplified version of the above approach is then utilized to design ninety degree diffusing bends. Calculations were carried out for a mean radius ratio at inlet of 2.5 and Reynolds numbers varying from 100 to 500. While at this stage laminar flows is assumed, it is shown that a similar approach can be conceived for turbulent flows.

Modi, Vijay↗
NASA NTRS1994

An implicit numerical scheme for the simulation of internal viscous flows on unstructured grids

The Navier-Stokes equations are solved numerically for two-dimensional steady viscous laminar flows. The grids are generated based on the method of Delaunay triangulation. A finite-volume approach is used to discretize the conservation law form of the compressible flow equations written in terms of primitive variables. A preconditioning matrix is added to the equations so that low Mach number flows can be solved economically. The equations are time marched using either an implicit Gauss-Seidel iterative procedure or a solver based on a conjugate gradient like method. A four color scheme is employed to vectorize the block Gauss-Seidel relaxation procedure. This increases the memory requirements minimally and decreases the computer time spent solving the resulting system of equations substantially. A factor of 7.6 speed up in the matrix solver is typical for the viscous equations. Numerical results are obtained for inviscid flow over a bump in a channel at subsonic and transonic conditions for validation with structured solvers. Viscous results are computed for developing flow in a channel, a symmetric sudden expansion, periodic tandem cylinders in a cross-flow, and a four-port valve. Comparisons are made with available results obtained by other investigators.

Jorgenson, Philip C. E.↗
NASA NTRS2009

Three-dimensional Finite Element Formulation and Scalable Domain Decomposition for High Fidelity Rotor Dynamic Analysis

This paper has two objectives. The first objective is to formulate a 3-dimensional Finite Element Model for the dynamic analysis of helicopter rotor blades. The second objective is to implement and analyze a dual-primal iterative substructuring based Krylov solver, that is parallel and scalable, for the solution of the 3-D FEM analysis. The numerical and parallel scalability of the solver is studied using two prototype problems - one for ideal hover (symmetric) and one for a transient forward flight (non-symmetric) - both carried out on up to 48 processors. In both hover and forward flight conditions, a perfect linear speed-up is observed, for a given problem size, up to the point of substructure optimality. Substructure optimality and the linear parallel speed-up range are both shown to depend on the problem size as well as on the selection of the coarse problem. With a larger problem size, linear speed-up is restored up to the new substructure optimality. The solver also scales with problem size - even though this conclusion is premature given the small prototype grids considered in this study.

Datta, Anubhav↗
DOE OSTI2025

In situ multi-tier auto-ignition detection applied to dual-fuel combustion simulations

Here we use an anomaly detection methodology that is centered on analyzing fourth-order joint moments (co-kurtosis), particularly focusing on its application in auto-ignition of combustion problems with large numbers of species. Unsupervised anomaly detection is challenging to generalize across problem types and domains. A recent technique, centered on analyzing information in the fourth-order joint moment co-kurtosis, has shown promise, especially for high-dimensional scientific data. In this work we present developments to the co-kurtosis based anomaly detection method needed to make it effective and scalable for large-scale distributed scientific data, such as those generated by massively parallel simulations. An in situ co-kurtosis algorithm is employed as the anomaly detection method for identifying ignition kernels in simulations of turbulent combustion. Here, we extend an existing methodology which identifies regions of the domain where anomalies are present, and add another tier of anomaly detection where the individual samples contributing to the anomaly are identified. We apply this algorithm on-the-fly to a variety of turbulent reacting flow problems and compare it to the widely used (but significantly more expensive) chemical explosive mode analysis (CEMA). We demonstrate the ability of the method to detect and identify the onset of low and high temperature ignition which can be used for computational steering, as chemical and combustion anomalies occur intermittently at spatio-temporal locations unknown a priori. Finally, we apply our lightweight in situ algorithm to an exascale high-fidelity simulation with a total of 2.4 Trillion degrees of freedom, performed using an adaptive mesh refinement solver. Furthermore, through a scalability analysis, we show that the relative computational cost of this in-situ anomaly detection algorithm compared to an iteration of the reacting flow solver is negligible.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1984

A semi-direct procedure using a local relaxation factor and its application to an internal flow problem

Generally, fast direct solvers are not directly applicable to a nonseparable elliptic partial differential equation. This limitation, however, is circumvented by a semi-direct procedure, i.e., an iterative procedure using fast direct solvers. An efficient semi-direct procedure which is easy to implement and applicable to a variety of boundary conditions is presented. The current procedure also possesses other highly desirable properties, i.e.: (1) the convergence rate does not decrease with an increase of grid cell aspect ratio, and (2) the convergence rate is estimated using the coefficients of the partial differential equation being solved.

Chang, S. C.↗
NASA NTRS1999

TLNS3D/CDISC Multipoint Design of the TCA Concept

This paper presents the work done to date by the authors on developing an efficient approach to multipoint design and applying it to the design of the HSR TCA (High Speed Research Technology Concept Aircraft) configuration. While the title indicates that this exploratory study has been performed using the TLNS3DMB flow solver and the CDISC (Constrained Direct Iterative Surface Curvature) design method, the CDISC method could have been used with any flow solver, and the multipoint design approach does not require the use of CDISC. The goal of the study was to develop a multipoint design method that could achieve a design in about the same time as 10 analysis runs.

Campbell, Richard L.↗
NASA NTRSDate not supplied

Numerical Behaviour of a Smooth Local Correlation-based Transition Model in a Newton-Krylov Flow Solver

The numerical behaviour of transport-equation-based transition models, including both iterative and grid convergence, is influenced by the source terms. Transition models contain source terms that are large and highly nonlinear, and can be destabilizing in a strong implicit solver. Linearization strategies with varying levels of coupling are evaluated in conjunction with a source-term time step restriction to determine best-practices for solving the SA-sLM2015smooth local correlation-based transition model in an implicit Newton-Krylov flow solver. Achieving deep iterative convergence facilitates a detailed investigation of the grid convergence of these free-transition simulations, which are evaluated relative to fully-turbulent simulations performed using the Spalart-Allmaras turbulence model. Simulations of the NLF0416 general aviation airfoil, VA-2 supercritical airfoil, and NASA CRM-NLF wing-body geometry are performed over a range of grid levels. The results demonstrate that both a fully-coupled linearization strategy and a source-term time step restriction improve nonlinear convergence as the complexity of the free-transition simulations increases. In general, additional grid resolution is required for free-transition simulations relative to fully-turbulent simulations in order to achieve a similar level of accuracy, with the grid convergence of free-transition simulations sensitive to the streamwise grid spacings in the transition regions.

AATT↗