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Implicit Preconditioning for Explicit Multigrid Solvers on Cut-Cell Cartesian Meshes

This work assesses the effectiveness of linearized implicit Euler preconditioning for multigrid solvers using an unpreconditioned, Jacobian-free Newton Krylov method to converge the linear system of equations. Multigrid convergence rates improve to approximately 0.75 across the cases tested including a Mach 2 supersonic wedge, transonic NACA 0012 airfoil, and ONERA M6 wing. While larger Krylov subspaces increase the convergence rate, they also increase the computational cost, such that 4-8 Krylov vectors often offers the fastest turnaround. Further reductions in computational cost are achieved with a sequential hybrid preconditioner that begins with the explicit multigrid solver before transitioning to the preconditioned algorithm later on. In addition, a novel implementation of dual time stepping is extended to include both common BDF methods as well as high-order implicit Runge-Kutta schemes. This particular formulation, which uses A −1 preconditioning, is amenable to matrix-free solvers, and the L-stable methods are especially suited for meshes with arbitrarily small cut-cells. Asymptotic order of convergence is demonstrated for BDF1, BDF2, SDIRK2, and 3rd-order Radau IIA time integration with unsteady 2D vortex simulations.

ARMD↗

NASA NTRS1985

Finite element algorithms for compressible flow computation on a supercomputer

Methods of applying computational fluid dynamics techniques to engineering problems are discussed. The linking factors between theoretical and applied research are the shape and weight functions which produce the Galerkin finite element schemes. The flow is unsteady, viscous, heat conducting and compressible, and steady-state flows are the asymptotic limit of unsteady flows. All flows are described by the time-averaged Navier-Stokes equations (NSE) with mass and energy conservation. Local curvilinear intrinsic coordinates are applied to discretize the NSE in arbitrary geometric domains. A modified weighted residuals approach defines the discrete analogs of the physical systems modeled and a general interpolants method is used to derive families of numerical models, both implicit and explicit, finite difference and finite elemnt, from a single point of departure. Time-dependent element approximations are achieved with a progressive assembly of generalized elements method. Hyperbolic steady-state Euler algorithms and quasi-parabolic are spatial marching algorithms for solving the discretized equations. Application of the techniques is illustrated through calculation of the compressible flow around a hypersonic flight vehicle at 100,000 ft at zero angle of attack at speeds of Mach 4-10.

Spradley, L. W.↗

NASA NTRS2010

Adaptive Numerical Algorithms in Space Weather Modeling

Space weather describes the various processes in the Sun-Earth system that present danger to human health and technology. The goal of space weather forecasting is to provide an opportunity to mitigate these negative effects. Physics-based space weather modeling is characterized by disparate temporal and spatial scales as well as by different physics in different domains. A multi-physics system can be modeled by a software framework comprising of several components. Each component corresponds to a physics domain, and each component is represented by one or more numerical models. The publicly available Space Weather Modeling Framework (SWMF) can execute and couple together several components distributed over a parallel machine in a flexible and efficient manner. The framework also allows resolving disparate spatial and temporal scales with independent spatial and temporal discretizations in the various models. Several of the computationally most expensive domains of the framework are modeled by the Block-Adaptive Tree Solar wind Roe Upwind Scheme (BATS-R-US) code that can solve various forms of the magnetohydrodynamics (MHD) equations, including Hall, semi-relativistic, multi-species and multi-fluid MHD, anisotropic pressure, radiative transport and heat conduction. Modeling disparate scales within BATS-R-US is achieved by a block-adaptive mesh both in Cartesian and generalized coordinates. Most recently we have created a new core for BATS-R-US: the Block-Adaptive Tree Library (BATL) that provides a general toolkit for creating, load balancing and message passing in a 1, 2 or 3 dimensional block-adaptive grid. We describe the algorithms of BATL and demonstrate its efficiency and scaling properties for various problems. BATS-R-US uses several time-integration schemes to address multiple time-scales: explicit time stepping with fixed or local time steps, partially steady-state evolution, point-implicit, semi-implicit, explicit/implicit, and fully implicit numerical schemes. Depending on the application, we find that different time stepping methods are optimal. Several of the time integration schemes exploit the block-based granularity of the grid structure. The framework and the adaptive algorithms enable physics based space weather modeling and even forecasting.

Toth, Gabor↗

DOE OSTI2017

Rythmos: Solution and Analysis Package for Differential-Algebraic and Ordinary-Differential Equations

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.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1989

An adaptive implicit/explicit finite element scheme for compressible viscous high speed flow

An adaptive implicit/explicit finite element procedure for the solution of three-dimensional problems of steady compressible viscous high-speed flows is presented. In the vicinity of solid walls, a grid-exhibiting structure in the normal direction is employed, while away from this region the grid is totally unstructured. The implicit form of the algorithm is used near solid walls, with the grid structure being utilized in an equation solution approach based upon line relaxation. The explicit form of the algorithm is used elsewhere. Grid adaptation is achieved by means of adaptive remeshing. To illustrate the performance of the proposed method, solutions are obtained for the problems of shock-boundary layer interaction and shock-shock interaction on a swept cylindrical leading edge. Comparisons are made with experimental observations.

Hassan, O.↗

NASA NTRS1989

The simulation of 2D compressible viscous high speed flow by the finite element method

Am implicit/explicit procedure for the solution of problems of two-dimensional steady compressible viscous high-speed flows is presented. In the vicinity of solid walls, a grid which need only exhibit structure in the normal direction is employed while, away from this region, the grid is totally unstructured. The implicit form of the algorithm is used near solid walls, with the grid structure being utilized in an equation solution approach, based upon line relaxation. The explicit form of the algorithm is used elsewhere. Grid adaptation is achieved by means of adaptive remeshing. To illustrate the performance of the proposed method, problems of shock-boundary layer interaction and flow over a simulated forebody at high Mach number are included.

Hassan, O.↗

NASA NTRS1993

Upwind MacCormack Euler solver with non-equilibrium chemistry

A computer code, designated UMPIRE, is currently under development to solve the Euler equations in two dimensions with non-equilibrium chemistry. UMPIRE employs an explicit MacCormack algorithm with dissipation introduced via Roe's flux-difference split upwind method. The code also has the capability to employ a point-implicit methodology for flows where stiffness is introduced through the chemical source term. A technique consisting of diagonal sweeps across the computational domain from each corner is presented, which is used to reduce storage and execution requirements. Results depicting one dimensional shock tube flow for both calorically perfect gas and thermally perfect, dissociating nitrogen are presented to verify current capabilities of the program. Also, computational results from a chemical reactor vessel with no fluid dynamic effects are presented to check the chemistry capability and to verify the point implicit strategy.

Sherer, Scott E.↗

NASA NTRS1983

A viscous shock-layer flowfield analysis by an explicit-implicit method

An implicit analogue of a widely used explicit method to external axisymmetric laminar flows with strong entropy gradients is extended. The details of the "numerics" of the implicit part are provided in a body oriented coordinate system with a moving outer (shock) boundary during the transient part of the solutions. The limiting values of the Courant number are obtained when the shock boundary is treated explicitly. The solution algorithm outlined includes the treatment of the source term associated with the equations in weak conservation form. From the results obtained for two sample problems, it becomes clear that accuracy of predictions is, indeed, very good at higher values of the Courant number. There is a significant saving in overall computing time, depending on the Courant number used and the flow Reynolds number. These properties combined with the simplicity of programming the implicit analog may appeal to researchers for using it in the analysis of 3-D flow problems.

Gupta, R. M.↗

DOE OSTI2022

Comparison of exponential integrators and traditional time integration schemes for the shallow water equations

We report the time integration scheme is probably one of the most fundamental choices in the development of an ocean model. In this paper, we investigate several time integration schemes when applied to the shallow water equations. This set of equations is accurate enough for the modeling of a shallow ocean and is also relevant to study as it is the one solved for the barotropic (i.e. vertically averaged) component of a three dimensional ocean model. We analyze different time stepping algorithms for the linearized shallow water equations. High order explicit schemes are accurate but the time step is constrained by the Courant-Friedrichs-Lewy stability condition. Implicit schemes can be unconditionally stable but, in practice lack accuracy when used with large time steps. In this paper we propose a detailed comparison of such classical schemes with exponential integrators. The accuracy and the computational costs are analyzed in different configurations.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2000

A Comparison of Three Programming Models for Adaptive Applications

We study the performance and programming effort for two major classes of adaptive applications under three leading parallel programming models. We find that all three models can achieve scalable performance on the state-of-the-art multiprocessor machines. The basic parallel algorithms needed for different programming models to deliver their best performance are similar, but the implementations differ greatly, far beyond the fact of using explicit messages versus implicit loads/stores. Compared with MPI and SHMEM, CC-SAS (cache-coherent shared address space) provides substantial ease of programming at the conceptual and program orchestration level, which often leads to the performance gain. However it may also suffer from the poor spatial locality of physically distributed shared data on large number of processors. Our CC-SAS implementation of the PARMETIS partitioner itself runs faster than in the other two programming models, and generates more balanced result for our application.

Shan, Hong-Zhang↗

NASA NTRS1983

Viscous shock-layer flowfield analysis by an explicit-implicit method

The present work extends the recently reported implicit analogue of MacCormack's earlier widely-used explicit method to external axisymmetric laminar flows with strong entropy gradients. The details of the 'numerics' of the implicit part are provided in a body-oriented coordinate system with a moving outer (shock) boundary during the transient part of the solutions. The limiting values of the Courant number are obtained when the shock boundary is treated explicitly. The solution algorithm outlined includes the treatment of the source term associated with the equations in weak conservation form. From the results obtained for two sample problems, it becomes clear that accuracy of predictions is, indeed, very good at higher values of the Courant number. There is a significant saving in overall computing time, depending on the Courant number used and the flow Reynolds number. These properties combined with the simplicity of programming the implicit analogue may appeal to researchers for using it in the analysis of three-dimensional flow problems.

Gupta, R. N.↗

DOE OSTI2026

Asymptotic-preserving semi-implicit finite volume scheme for extended magnetohydrodynamics

A Finite Volume (FV) scheme is developed for solving the extended magnetohydrodynamic (XMHD) equations, yielding accurate results in the ideal, resistive, and Hall MHD limits. This is accomplished by first re-writing the XMHD equations such that it allows the algorithm to retain the use of ideal MHD Riemann solvers and the constrained transport method to preserve divergence-free magnetic fields. Incorporation of electron inertia and displacement current introduces additional numerical stiffness which motivates a semi-implicit FV scheme that re-formulates the XMHD model as a relaxation system. The equations are then advanced in time using an explicit 2nd-order Runge–Kutta scheme with operator splitting applied to the implicit source term updates at each sub-stage. For additional numerical stability, a density-dependent slope limiter is implemented to increase flux diffusivity at low density regions where non-ideal effects become significant. The algorithm is subsequently implemented in a scalable adaptive mesh refinement (AMR) framework. As the new algorithm retains many aspects of the ideal MHD formulations, it asymptotes naturally to the ideal MHD limit. Moreover, it shows promising results at the resistive and Hall MHD limits. This is verified against reference test problems for ideal, resistive and Hall MHD.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

A Scalable Semi-Implicit Barotropic Mode Solver for the MPAS-Ocean

A scalable semi-implicit barotropic mode solver for the ocean component of the model for prediction across scales has been implemented as a competitor to an existing explicit-subcycling scheme to allow faster and more stable simulations while not sacrificing accuracy. The semi-implicit solver adopts the pipelined preconditioned bi-conjugate gradient stabilization algorithm as an iterative solver in conjunction with the restricted additive Schwarz preconditioner that accelerates the convergence rate of the iterative solver. The preconditioner is constructed from a linearized barotropic system that also reorders the system for optimal performance, while the semi-implicit solver deals with the fully nonlinear barotropic system that requires reassembly of the coefficient matrix for every time step. Several numerical experiments, from simple one-dimensional tests to three-dimensional real-world tests, demonstrate that the semi-implicit solver has almost the same accuracy and better parallel scalability compared with the existing scheme while allowing faster and more stable simulations. Furthermore, the semi-implicit solver accelerates the barotropic mode up to 2.9 times faster than the existing scheme on 16,320 processors, leading to an overall runtime speedup of 1.9.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

AHF: Array-Based Half-Facet Data Structure for Mixed-Dimensional and Non-Manifold Meshes

We present an Array-based Half-Facet mesh data structure, or AHF, for efficient mesh query and modification operations. The AHF extends the compact array-based half-edge and half-face data structures (T.J. Alumbaugh and X. Jiao, Compact array-based mesh data structures, IMR, 2005) to support mixed-dimensional and non-manifold meshes. The design goals of our data structure include generality to support such meshes, efficiency of neighborhood queries and mesh modification, compactness of memory footprint, and facilitation of interoperability of mesh-based application codes. To accomplish these goals, our data structure uses sibling half-facets as a core abstraction, coupled with other explicit and implicit representations of entities. A unique feature of our data structure is a comprehensive implementation in MATLAB, which allows rapid prototyping, debugging, testing, and deployment of meshing algorithms and other mesh-based numerical methods. We have also developed C++ implementation built on top of MOAB (T.J. Tautges, R. Meyers, and K. Merkley, MOAB: A Mesh-Oriented Database, Sandia National Laboratories, 2004). We present some comparisons of the memory requirements and computational costs, and also demonstrate its effectiveness with a few sample applications.

Dyedov, Volodymyr↗

DOE OSTI2020

Development of Control System Functional Capabilities within the IES Plug-and-Play Simulation Environment

The concept of an Integrated Energy System (IES) is meant to combine different energy technologies in synergistic ways to achieve a more secure and economical energy supply. The RAVEN-based HYBRID framework is used to find the optimal installed capacity and the optimal economical dispatch of each component of the IES. A new RAVEN (Risk Analysis Virtual ENvironment) plugin for grid and capacity optimization (HERON) has been developed for optimizing the production variables of the IES given the demand profile. Currently, only the limits that affect the production variables and their corresponding time rates of change are considered (explicit constraints). However, other variables are additionally subject to constraints, but the associated limits are not accounted for (implicit constraints). In particular, for the power dispatch problem, the optimization algorithm takes into account the limits on the electrical power output and the corresponding hourly power variations but does not consider other constraints on process variables whose response effects the service life of the IES. This report describes a scheme that allows accounting for implicit constraints without increasing the size of the optimization problem. The Reference Governor (RG) algorithm is traditionally used for enforcing state and control constraints by modifying the set-point trajectories supplied to the feedback regulators. In our application, the RG is coupled within an iterative loop with the HERON-power dispatcher to generate optimal trajectories that ensure the operational constraints are met. A data-driven procedure to derive a representation of the dynamics of the controlled system was developed. First, the variables that represented the state of the system are selected (PCA-based approach), and then state-space representation matrices are derived from the collected measurements (DMDc algorithm). A preliminary version of the developed workflow based on Linear Time Invariant matrices was assessed by adopting a two-unit test case. More sophisticated versions of this workflow foreseeing the on-line derivation of system matrices will be deployed in FY 2021. Finally, a “plug-and-play” library of controllers and state observers was developed in Dymola. Some aspects of the current configuration of the IES unit components, e.g., the encapsulation of the control schemes into dedicated blocks, are consistent with the “plug-and-play” philosophy. Other features, e.g., the system buses collecting the input and the output variables, are not. For this reason, once listed and described the limits of the current configuration, necessary modifications to the plant model interface are presented. As a test-case, the interfaces of the SES model in the RAVEN-based HYBRID framework were reworked accordingly, and two different control schemes were applied to the same plant model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1988

Convergence speeding up in the calculation of the viscous flow about an airfoil

A finite volume method to solve the three dimensional Navier-Stokes equations was developed. It is based on a cell-vertex scheme with central differences and explicit Runge-Kutta time steps. A good convergence for a stationary solution was obtained by the use of local time steps, implicit smoothing of the residues, a multigrid algorithm, and a carefully controlled artificial dissipative term. The method is illustrated by results for transonic profiles and airfoils. The method allows a routine solution of the Navier-Stokes equations.

Radespiel, R.↗

NASA NTRS1998

Multigrid Strategies for Viscous Flow Solvers on Anisotropic Unstructured Meshes

Unstructured multigrid techniques for relieving the stiffness associated with high-Reynolds number viscous flow simulations on extremely stretched grids are investigated. One approach consists of employing a semi-coarsening or directional-coarsening technique, based on the directions of strong coupling within the mesh, in order to construct more optimal coarse grid levels. An alternate approach is developed which employs directional implicit smoothing with regular fully coarsened multigrid levels. The directional implicit smoothing is obtained by constructing implicit lines in the unstructured mesh based on the directions of strong coupling. Both approaches yield large increases in convergence rates over the traditional explicit full-coarsening multigrid algorithm. However, maximum benefits are achieved by combining the two approaches in a coupled manner into a single algorithm. An order of magnitude increase in convergence rate over the traditional explicit full-coarsening algorithm is demonstrated, and convergence rates for high-Reynolds number viscous flows which are independent of the grid aspect ratio are obtained. Further acceleration is provided by incorporating low-Mach-number preconditioning techniques, and a Newton-GMRES strategy which employs the multigrid scheme as a preconditioner. The compounding effects of these various techniques on speed of convergence is documented through several example test cases.

Movriplis, Dimitri J.↗

DOE OSTI2017

Extreme Scale Unstructured Adaptive CFD: From Multiphase Flow to Aerodynamic Flow Control

Understanding the flow of fluid, either liquid or gas, through and around solid bodies has challenged man since the dawn of scientific inquiry. Many of the great minds of science and math have progressively built up a hierarchy of fluid models. This report is concerned with the computational modeling of turbulent flow around aerodynamic bodies such as planes and wind turbines. In this case, viscous effects near the solid bodies create very thin boundary layers that yield highly anisotropic (gradients normal to the surface may be 10^6 times larger than gradients along the surface) solutions to the governing non-linear partial differential equations (PDE); the Navier-Stokes equations. Furthermore, turbulent flows develop extremely broad ranges of length and time scales.This disparity motivates the use of discretization methods capable of employing adaptivity and implicit time integration. The combination of these features (non-linear, anisotropy, adaptivity, andimplicit) dramatically raise the complexity of the discretization, posing large challenges to efficient scalable parallel implementation. However, through careful design, the more complex algorithms can provide great reductions in computational cost relative to simpler methods (e.g., Cartesian grids with explicit time integration) that are easier to mate efficiently to hardware. In this report, we not only describe our approach but we also address the fact that while complex algorithms may never be as efficient flop-for-flop as simple methods, in the important measure of science-per-core-hour, they can still win big by making complex features like adaptivity and implicit methods as efficient and scalable as possible.

42 ENGINEERING↗