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Gregor J. Gassner

Publications and source records attributed to Gregor J. Gassner.

At least 19 recordsLinked to original sources

SBP-FDEC: Summation-by-Parts Finite Difference Exterior Calculus

We demonstrate that we can carry over the strategy of Finite Element Exterior Calculus (FEEC) to Summation-by-Parts (SBP) Finite Difference (FD) methods to achieve divergence- and curl-free discretizations. This is not obvious at first sight, as for SBP-FD no basis functions are known, but only values and derivatives at points. The key is a remarkable analytic relationship that enables us to construct compatible operators using integral and nodal degrees of freedom. Pre-existing SBP-FD matrix operators can then be used to obtain nodal values from the integral degrees of freedom to derive a scheme with the desired properties.

math.NA

Massively parallel numerical simulations with Julia

The Julia programming language aims to provide a modern approach to develop high-performance computing (HPC) applications. It tries to achieve this by combining a high-level, dynamic interface with just-in-time compilation to native machine code, thereby facilitating high developer productivity and native code performance at the same time. While this approach has already been shown to work well for serial applications, it is not clear if it readily translates to traditional, massively parallel HPC work loads. In this paper, we fill this gap by analyzing the parallel performance of the numerical computational fluid dynamics simulation code Trixi$.$jl, written in Julia, and compare it to the Fortran code FLUXO. We show some of the challenges of using Julia at scale and discuss possible solutions, specifically with respect to code loading and compilation at startup. Finally, we demonstrate the parallel scaling of our Julia code on up to 61440 CPU cores.

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Invariant-domain-preserving limiting with Adaptive Mesh Refinement for Legendre-Gauss-Lobatto Discontinuous Galerkin Spectral Element Methods

We present an invariant-domain-preserving (IDP) treatment of nonconforming interfaces for Legendre--Gauss--Lobatto Discontinuous Galerkin Spectral Element Methods (LGL-DGSEM) with adaptive mesh refinement (AMR) on Cartesian meshes. The proposed methodology extends recently developed convex limiting and graph-viscosity frameworks for DGSEM to meshes containing hanging nodes. Starting from a conservative mortar formulation, we derive low-order interface fluxes that satisfy the requirements of invariant-domain-preserving discretizations. To avoid the excessive diffusion associated with fully connected mortar couplings, a sparsification strategy based on LGL subcell characteristic functions is introduced, yielding compact interface stencils. The resulting mortar fluxes remain conservative, reduce to the standard conforming formulation on matching interfaces, and naturally fit into graph-viscosity-based low-order schemes used for convex limiting. The proposed construction provides the missing ingredient required to combine high-order DGSEM discretizations, invariant-domain-preserving limiting, and adaptive mesh refinement within a unified framework for nonlinear hyperbolic conservation laws. We provide numerical verifications of the properties of the proposed scheme and run challenging simulations that require positivity limiting and shock-capturing.

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Well-Balanced Subcell Limiting for Discontinuous Galerkin Discretizations of the Shallow-Water Equations

High-order discontinuous Galerkin (DG) methods equipped with subcell finite-volume (FV) limiters provide an efficient framework for the simulation of nonlinear hyperbolic balance laws featuring shocks and complex flow structures. However, for systems with non-conservative terms, the design of hybrid DG/FV schemes that simultaneously guarantee high-order accuracy, robustness, and well-balancedness remains challenging. In particular, for the shallow water equations with variable bottom topography, standard flux-differencing formulations combined with node-wise subcell limiting generally destroy the well-balanced property, even if both the underlying DG and FV methods are individually well-balanced. In this work, we propose a novel flux-differencing formulation for non-conservative systems that enables node-wise subcell limiting while preserving steady states exactly. The key idea is to construct staggered DG fluxes whose non-conservative contributions are in local-times-jump form and vanish individually at equilibrium. To achieve this, we introduce a reformulation of the shallow water equations in which the source term is proportional to the gradient of the total water height. This reformulation allows the design of staggered fluxes that preserve equilibrium locally at the node level, thereby enabling arbitrary nodal blending with low-order FV fluxes. The resulting DG/FV method is high-order accurate, robust, and exactly well-balanced under node-wise limiting. Numerical experiments, including two-dimensional dam-break configurations with wet/dry fronts and complex obstacle interactions, demonstrate the improved stability and accuracy of the proposed approach. Although this work focuses on the shallow water equations, the well-balanced hybrid DG/FV methods developed here are applicable to a broader class of nonlinear systems of balance laws.

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Entropy-Stable Discontinuous Spectral-Element Methods for the Spherical Shallow Water Equations in Covariant Form

We introduce discontinuous spectral-element methods of arbitrary order that are well balanced, conservative of mass, and conservative or dissipative of total energy (i.e., a mathematical entropy function) for a covariant flux formulation of the rotating shallow water equations with variable bottom topography on curved manifolds such as the sphere. The proposed methods are based on a skew-symmetric splitting of the tensor divergence in covariant form, which we implement and analyze within a general flux-differencing framework using tensor-product summation-by-parts operators. Such schemes are proven to satisfy semi-discrete mass and energy conservation on general unstructured quadrilateral grids in addition to well balancing for arbitrary continuous bottom topographies, with energy dissipation resulting from a suitable choice of numerical interface flux. Furthermore, the proposed covariant formulation permits an analytical representation of the geometry and associated metric terms while satisfying the aforementioned entropy stability, conservation, and well-balancing properties without the need to approximate the metric terms so as to enforce discrete metric identities. Numerical experiments on cubed-sphere grids are presented in order to verify the schemes' structure-preservation properties as well as to assess their accuracy and robustness within the context of several standard test cases characteristic of idealized atmospheric flows. Our theoretical and numerical results support the further development of the proposed methodology towards a full dynamical core for numerical weather prediction and climate modelling, as well as broader applications to other hyperbolic and advection-dominated systems of partial differential equations on curved manifolds.

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Robust and efficient pre-processing techniques for particle-based methods including dynamic boundary generation

Obtaining high-quality particle distributions for stable and accurate particle-based simulations poses significant challenges, especially for complex geometries. We introduce a preprocessing technique for 2D and 3D geometries, optimized for smoothed particle hydrodynamics (SPH) and other particle-based methods. Our pipeline begins with the generation of a resolution-adaptive point cloud near the geometry's surface employing a face-based neighborhood search. This point cloud forms the basis for a signed distance field, enabling efficient, localized computations near surface regions. To create an initial particle configuration, we apply a hierarchical winding number method for fast and accurate inside-outside segmentation. Particle positions are then relaxed using an SPH-inspired scheme, which also serves to pack boundary particles. This ensures full kernel support and promotes isotropic distributions while preserving the geometry interface. By leveraging the meshless nature of particle-based methods, our approach does not require connectivity information and is thus straightforward to integrate into existing particle-based frameworks. It is robust to imperfect input geometries and memory-efficient without compromising performance. Moreover, our experiments demonstrate that with increasingly higher resolution, the resulting particle distribution converges to the exact geometry.

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Mimetic Metrics for the DGSEM

Free-stream preservation is an essential property for numerical solvers on curvilinear grids. Key to this property is that the metric terms of the curvilinear mapping satisfy discrete metric identities, i.e., have zero divergence. Divergence-free metric terms are furthermore essential for entropy stability on curvilinear grids. We present a new way to compute the metric terms for discontinuous Galerkin spectral element methods (DGSEMs) that guarantees they are divergence-free. Our proposed mimetic approach uses projections that fit within the de Rham Cohomology.

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On the robustness of high-order upwind summation-by-parts methods for nonlinear conservation laws

We use the framework of upwind summation-by-parts (SBP) operators developed by Mattsson (2017, doi:10.1016/j.jcp.2017.01.042) and study different flux vector splittings in this context. To do so, we introduce discontinuous-Galerkin-like interface terms for multi-block upwind SBP methods applied to nonlinear conservation laws. We investigate the behavior of the upwind SBP methods for flux vector splittings of varying complexity on Cartesian as well as unstructured curvilinear multi-block meshes. Moreover, we analyze the local linear/energy stability of these methods following Gassner, Svärd, and Hindenlang (2022, doi:10.1007/s10915-021-01720-8). Finally, we investigate the robustness of upwind SBP methods for challenging examples of shock-free flows of the compressible Euler equations such as a Kelvin-Helmholtz instability and the inviscid Taylor-Green vortex.

math.NA

Fourth-Order Paired-Explicit Runge-Kutta Methods

In this paper, we extend the Paired-Explicit Runge-Kutta schemes by Vermeire et. al. to fourth-order of consistency. Based on the order conditions for partitioned Runge-Kutta methods we motivate a specific form of the Butcher arrays which leads to a family of fourth-order accurate methods. The employed form of the Butcher arrays results in a special structure of the stability polynomials, which needs to be adhered to for an efficient optimization of the domain of absolute stability. We demonstrate that the constructed fourth-order Paired-Explicit Runge-Kutta methods satisfy linear stability, internal consistency, designed order of convergence, and conservation of linear invariants. At the same time, these schemes are seamlessly coupled for codes employing a method-of-lines approach, in particular without any modifications of the spatial discretization. We apply the multirate Paired-Explicit Runge-Kutta (P-ERK) schemes to inviscid and viscous problems with locally varying wave speeds, which may be induced by non-uniform grids or multiscale properties of the governing partial differential equation. Compared to state-of-the-art optimized standalone methods, the multirate P-ERK schemes allow significant reductions in right-hand-side evaluations and wall-clock time, ranging from 40% up to factors greater than three.

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Multirate Time-Integration based on Dynamic ODE Partitioning through Adaptively Refined Meshes for Compressible Fluid Dynamics

In this paper, we apply the Paired-Explicit Runge-Kutta (P-ERK) schemes by Vermeire et. al. (2019, 2022) to dynamically partitioned systems arising from adaptive mesh refinement. The P-ERK schemes enable multirate time-integration with no changes in the spatial discretization methodology, making them readily implementable in existing codes that employ a method-of-lines approach. We show that speedup compared to a range of state of the art Runge-Kutta methods can be realized, despite additional overhead due to the dynamic re-assignment of flagging variables and restricting nonlinear stability properties. The effectiveness of the approach is demonstrated for a range of simulation setups for viscous and inviscid convection-dominated compressible flows for which we provide a reproducibility repository. In addition, we perform a thorough investigation of the nonlinear stability properties of the Paired-Explicit Runge-Kutta schemes regarding limitations due to the violation of monotonicity properties of the underlying spatial discretization. Furthermore, we present a novel approach for estimating the relevant eigenvalues of large Jacobians required for the optimization of stability polynomials.

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Many-Stage Optimal Stabilized Runge-Kutta Methods for Hyperbolic Partial Differential Equations

A novel optimization procedure for the generation of stability polynomials of stabilized explicit Runge-Kutta methods is devised. Intended for semidiscretizations of hyperbolic partial differential equations, the herein developed approach allows the optimization of stability polynomials with more than hundred stages. A potential application of these high degree stability polynomials are problems with locally varying characteristic speeds as found in non-uniformly refined meshes and different wave speeds. To demonstrate the applicability of the stability polynomials we construct 2N storage many-stage Runge-Kutta methods that match their designed second order of accuracy when applied to a range of linear and nonlinear hyperbolic PDEs with smooth solutions. The methods are constructed to reduce the amplification of round off errors which becomes a significant concern for these many-stage methods.

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Efficient implementation of modern entropy stable and kinetic energy preserving discontinuous Galerkin methods for conservation laws

Many modern discontinuous Galerkin (DG) methods for conservation laws make use of summation by parts operators and flux differencing to achieve kinetic energy preservation or entropy stability. While these techniques increase the robustness of DG methods significantly, they are also computationally more demanding than standard weak form nodal DG methods. We present several implementation techniques to improve the efficiency of flux differencing DG methods that use tensor product quadrilateral or hexahedral elements, in 2D or 3D respectively. Focus is mostly given to CPUs and DG methods for the compressible Euler equations, although these techniques are generally also useful for other physical systems including the compressible Navier-Stokes and magnetohydrodynamics equations. We present results using two open source codes, Trixi.jl written in Julia and FLUXO written in Fortran, to demonstrate that our proposed implementation techniques are applicable to different code bases and programming languages.

cs.MS

On error-based step size control for discontinuous Galerkin methods for compressible fluid dynamics

We study temporal step size control of explicit Runge-Kutta methods for compressible computational fluid dynamics (CFD), including the Navier-Stokes equations and hyperbolic systems of conservation laws such as the Euler equations. We demonstrate that error-based approaches are convenient in a wide range of applications and compare them to more classical step size control based on a Courant-Friedrichs-Lewy (CFL) number. Our numerical examples show that error-based step size control is easy to use, robust, and efficient, e.g., for (initial) transient periods, complex geometries, nonlinear shock capturing approaches, and schemes that use nonlinear entropy projections. We demonstrate these properties for problems ranging from well-understood academic test cases to industrially relevant large-scale computations with two disjoint code bases, the open source Julia packages Trixi.jl with OrdinaryDiffEq.jl and the C/Fortran code SSDC based on PETSc.

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On the Theoretical Foundation of Overset Grid Methods for Hyperbolic Problems II: Entropy Bounded Formulations for Nonlinear Conservation Laws

We derive entropy conserving and entropy dissipative overlapping domain formulations for systems of nonlinear hyperbolic equations in conservation form, such as would be approximated by overset mesh methods. The entropy conserving formulation imposes two-way coupling at the artificial interface boundaries through nonlinear penalty functions that vanish when the solutions coincide. The penalty functions are expressed in terms of entropy conserving fluxes originally introduced for finite volume schemes. Entropy dissipation and additional coupling in the overlap region are added through the use of linear penalties.

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Subcell limiting strategies for discontinuous Galerkin spectral element methods

We present a general family of subcell limiting strategies to construct robust high-order accurate nodal discontinuous Galerkin (DG) schemes. The main strategy is to construct compatible low order finite volume (FV) type discretizations that allow for convex blending with the high-order variant with the goal of guaranteeing additional properties, such as bounds on physical quantities and/or guaranteed entropy dissipation. For an implementation of this main strategy, four main ingredients are identified that may be combined in a flexible manner: (i) a nodal high-order DG method on Legendre-Gauss-Lobatto nodes, (ii) a compatible robust subcell FV scheme, (iii) a convex combination strategy for the two schemes, which can be element-wise or subcell-wise, and (iv) a strategy to compute the convex blending factors, which can be either based on heuristic troubled-cell indicators, or using ideas from flux-corrected transport methods. By carefully designing the metric terms of the subcell FV method, the resulting methods can be used on unstructured curvilinear meshes, are locally conservative, can handle strong shocks efficiently while directly guaranteeing physical bounds on quantities such as density, pressure or entropy. We further show that it is possible to choose the four ingredients to recover existing methods such as a provably entropy dissipative subcell shock-capturing approach or a sparse invariant domain preserving approach. We test the versatility of the presented strategies and mix and match the four ingredients to solve challenging simulation setups, such as the KPP problem (a hyperbolic conservation law with non-convex flux function), turbulent and hypersonic Euler simulations, and MHD problems featuring shocks and turbulence.

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Adaptive numerical simulations with Trixi.jl: A case study of Julia for scientific computing

We present Trixi.jl, a Julia package for adaptive high-order numerical simulations of hyperbolic partial differential equations. Utilizing Julia's strengths, Trixi.jl is extensible, easy to use, and fast. We describe the main design choices that enable these features and compare Trixi.jl with a mature open source Fortran code that uses the same numerical methods. We conclude with an assessment of Julia for simulation-focused scientific computing, an area that is still dominated by traditional high-performance computing languages such as C, C++, and Fortran.

cs.MS

Stability issues of entropy-stable and/or split-form high-order schemes

The focus of the present research is on the analysis of local energy stability of high-order (including split-form) summation-by-parts methods, with e.g. two-point entropy-conserving fluxes, approximating non-linear conservation laws. Our main finding is that local energy stability, i.e., the numerical growth rate does not exceed the growth rate of the continuous problem, is not guaranteed even when the scheme is non-linearly stable and that this may have adverse implications for simulation results. We show that entropy-conserving two-point fluxes are inherently locally energy unstable, as they can be dissipative or anti-dissipative. Unfortunately, these fluxes are at the core of many commonly used high-order entropy-stable extensions, including split-form summation-by-parts discontinuous Galerkin spectral element methods (or spectral collocation methods). For the non-linear Burgers equation, we further demonstrate numerically that such schemes cause exponential growth of errors during the simulation. Furthermore, we encounter a similar abnormal behaviour for the compressible Euler equations, for a smooth exact solution of a density wave. Finally, for the same case, we demonstrate numerically that other commonly known split-forms, such as the Kennedy and Gruber splitting, are also locally energy unstable.

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A purely hyperbolic discontinuous Galerkin approach for self-gravitating gas dynamics

One of the challenges when simulating astrophysical flows with self-gravity is to compute the gravitational forces. In contrast to the hyperbolic hydrodynamic equations, the gravity field is described by an elliptic Poisson equation. We present a purely hyperbolic approach by reformulating the elliptic problem into a hyperbolic diffusion problem, which is solved in pseudotime using the same explicit high-order discontinuous Galerkin method we use for the flow solution. The flow and the gravity solvers operate on a joint hierarchical Cartesian mesh and are two-way coupled via the source terms. A key benefit of our approach is that it allows the reuse of existing explicit hyperbolic solvers without modifications, while retaining their advanced features such as non-conforming and solution-adaptive grids. By updating the gravitational field in each Runge-Kutta stage of the hydrodynamics solver, high-order convergence is achieved even in coupled multi-physics simulations. After verifying the expected order of convergence for single-physics and multi-physics setups, we validate our approach by a simulation of the Jeans gravitational instability. Furthermore, we demonstrate the full capabilities of our numerical framework by computing a self-gravitating Sedov blast with shock capturing in the flow solver and adaptive mesh refinement for the entire coupled system.

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