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Parallel Adaptive Mesh Refinement Library

Parallel Adaptive Mesh Refinement Library (PARAMESH) is a package of Fortran 90 subroutines designed to provide a computer programmer with an easy route to extension of (1) a previously written serial code that uses a logically Cartesian structured mesh into (2) a parallel code with adaptive mesh refinement (AMR). Alternatively, in its simplest use, and with minimal effort, PARAMESH can operate as a domain-decomposition tool for users who want to parallelize their serial codes but who do not wish to utilize adaptivity. The package builds a hierarchy of sub-grids to cover the computational domain of a given application program, with spatial resolution varying to satisfy the demands of the application. The sub-grid blocks form the nodes of a tree data structure (a quad-tree in two or an oct-tree in three dimensions). Each grid block has a logically Cartesian mesh. The package supports one-, two- and three-dimensional models.

Mac-Neice, Peter↗

Adaptive inverse ray-tracing for accurate and efficient modeling of cross beam energy transfer in hydrodynamics simulations

Integrated hydrodynamics simulations of inertial confinement fusion rely on reduced physics models. To reproduce experimental trends, these models often feature tuning parameters, but this comes with a risk: the over-tuning of one model can hide physics inadequacies in another. The ray-based models of cross-beam-energy transfer (CBET) represent this risk. In this paper, we present an accurate and efficient model of CBET suitable for inline implementation in 3D hydrodynamics simulations. Inverse Ray Tracing (IRT) is used to compute the ray field in a 3D permittivity profile described on an unstructured tetrahedral mesh using the Inline Field Reconstruction and Interaction using Inverse Tracing framework. CBET is accounted for through perturbations to the permittivity associated with ion acoustic waves driven by the overlapped fields. Large gradients in the permittivity are resolved by coupling the IRT to a recursive Adaptive Mesh Refinement (AMR) algorithm. The use of AMR also allows for the resolution of caustics, with accurate field reconstruction performed using the Etalon integral method. Comparisons of the model with wave-based solutions from the Laser Plasma Simulation Environment demonstrate its ability to control energy conservation and gain convergence through the AMR depth only, without the use of ad hoc physical models or artificial tuning parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Towards Adaptive Mesh Refinement for the Spectral Element Solver Nek5000

When performing computational fluid dynamics (CFD) simulations of complex flows, the a priori knowledge of the flow physics and the location of the dominant flow features are usually unknown. For this reason, the development of adaptive remeshing techniques is crucial for large-scale computational problems. Some work has been made recently to provide Nek5000 with adaptive mesh refinement (AMR) capabilities in order to facilitate the generation of the grid and push forward the limit in terms of problem size and complexity [10]. Nek5000 is an open-source, highly scalable and portable code based on the spectral element method (SEM) [4], which offers minimal dissipation and dispersion, high accuracy and exponential convergence. It is aimed at solving direct and large-eddy simulations of turbulent incompressible or low Mach-number flows with heat transfer and species transport. The approach chosen for adapting the mesh is the h-refinement method, where elements are split locally, which requires the relaxation of the conforming grid constraint currently imposed by Nek5000. Other challenges include the implementation of an efficient management of the grid as refinement is applied, the development of tools to localize the critical flow regions via error estimators and the extension of the current preconditioning strategy to non-conforming grids. In this paper, we present a new procedure to setup an algebraic multigrid solver used as part of the preconditioner for the pressure equation.

Offermans, N.↗

Scalable Implicit Solvers with Dynamic Mesh Adaptation for a Relativistic Drift-Kinetic Fokker–Planck–Boltzmann Model

In this work we consider a relativistic drift-kinetic model for runaway electrons along with a Fokker–Planck operator for small-angle Coulomb collisions, a radiation damping operator, and a secondary knock-on (Boltzmann) collision source. Here, we develop a new scalable fully implicit solver utilizing finite volume and conservative finite difference schemes and dynamic mesh adaptivity. A new data management framework in the PETSc library based on the p4est library is developed to enable simulations with dynamic adaptive mesh refinement (AMR), distributed memory parallelization, and dynamic load balancing of computational work. This framework and the runaway electron solver building on the framework are able to dynamically capture both bulk Maxwellian at the low-energy region and a runaway tail at the high-energy region. To effectively capture features via the AMR algorithm, a new AMR indicator prediction strategy is proposed that is performed alongside the implicit time evolution of the solution. This strategy is complemented by the introduction of computationally cheap feature-based AMR indicators that are analyzed theoretically. Numerical results quantify the advantages of the prediction strategy in better capturing features compared with nonpredictive strategies; and we demonstrate trade-offs regarding computational costs. The robustness with respect to model parameters, algorithmic scalability, and parallel scalability are demonstrated through several benchmark problems including manufactured solutions and solutions of different physics models. We focus on demonstrating the advantages of using implicit time stepping and AMR for runaway electron simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Applying Parallel Adaptive Methods with GeoFEST/PYRAMID to Simulate Earth Surface Crustal Dynamics

This viewgraph presentation reviews the use Adaptive Mesh Refinement (AMR) in simulating the Crustal Dynamics of Earth's Surface. AMR simultaneously improves solution quality, time to solution, and computer memory requirements when compared to generating/running on a globally fine mesh. The use of AMR in simulating the dynamics of the Earth's Surface is spurred by future proposed NASA missions, such as InSAR for Earth surface deformation and other measurements. These missions will require support for large-scale adaptive numerical methods using AMR to model observations. AMR was chosen because it has been successful in computation fluid dynamics for predictive simulation of complex flows around complex structures.

GeoFEST↗

AMRZone: A Runtime AMR Data Sharing Framework For Scientific Applications

Frameworks that facilitate runtime data sharing across multiple applications are of great importance for scientific data analytics. Although existing frameworks work well over uniform mesh data, they can not effectively handle adaptive mesh refinement (AMR) data. Among the challenges to construct an AMR-capable framework include: (1) designing an architecture that facilitates online AMR data management; (2) achieving a load-balanced AMR data distribution for the data staging space at runtime; and (3) building an effective online index to support the unique spatial data retrieval requirements for AMR data. Towards addressing these challenges to support runtime AMR data sharing across scientific applications, we present the AMRZone framework. Experiments over real-world AMR datasets demonstrate AMRZone's effectiveness at achieving a balanced workload distribution, reading/writing large-scale datasets with thousands of parallel processes, and satisfying queries with spatial constraints. Moreover, AMRZone's performance and scalability are even comparable with existing state-of-the-art work when tested over uniform mesh data with up to 16384 cores; in the best case, our framework achieves a 46% performance improvement.

Zhang, Wenzhao↗

Using Adaptive Mesh Refinement to Study Grid Resolution Effects for Shock/Boundary-Layer Interactions

Adaptive Mesh Refinement (AMR) promises a much more computationally efficient meansto obtain a discrete approximation to a continuous boundary value problem of a specifiedaccuracy than classic isotropic grid refinement. The AMR capability of OVERFLOW is utilizedto provide estimates of the exact analytical solutions to problems of interest to turbulencemodeling. Predictions of surface pressure and skin friction, essentially the state of stress at thesurface, shows little difference with grids believed to be "grid resolved." Velocity profiles, on theother hand, show marked differences in flows with shocks. The AMR method, as implementedin OVERFLOW2.2k, appears to provide the ability to produce arbitrarily accurate solutionsat a predictable cost much smaller than classic uniform mesh refinement.

Adaptive Mesh Refinement↗

Volumetric Rendering on Wavelet-Based Adaptive Grid

Numerical modeling of physical phenomena frequently involves processes across a wide range of spatial and temporal scales. In the last two decades, the advancements in wavelet-based numerical methodologies to solve partial differential equations, combined with the unique properties of wavelet analysis to resolve localized structures of the solution on dynamically adaptive computational meshes, make it feasible to perform large-scale numerical simulations of a variety of physical systems on a dynamically adaptive computational mesh that changes both in space and time. Volumetric visualization of the solution is an essential part of scientific computing, yet the existing volumetric visualization techniques do not take full advantage of multi-resolution wavelet analysis and are not fully tailored for visualization of a compressed solution on the wavelet-based adaptive computational mesh. Our objective is to explore the alternatives for the visualization of time-dependent data on space-time varying adaptive mesh using volume rendering while capitalizing on the available sparse data representation. Two alternative formulations are explored. The first one is based on volumetric ray casting of multi-scale datasets in wavelet space. Rather than working with the wavelets at the finest possible resolution, a partial inverse wavelet transform is performed as a preprocessing step to obtain scaling functions on a uniform grid at a user-prescribed resolution. As a result, a solution in physical space is represented by a superposition of scaling functions on a coarse regular grid and wavelets on an adaptive mesh. An efficient and accurate ray casting algorithm is based just on these coarse scaling functions. Additional details are added during the ray tracing by taking an appropriate number of wavelets into account based on support overlap with the interpolation point, wavelet coefficient magnitude, and other characteristics, such as opacity accumulation (front to back ordering) and deviation from frontal viewing direction. The second approach is based on complementing of wavelet-based adaptive mesh to the traditional Adaptive Mesh Refinement (AMR) mesh. Both algorithms are illustrated and compared to the existing volume visualization software for Rayleigh-Benard thermal convection and electron density data sets in terms of rendering time and visual quality for different data compression of both wavelet-based and AMR adaptive meshes.

Vezolainen, Alexei V.↗

Structured Adaptive Mesh Refinement Adaptations to Retain Performance Portability With Increasing Heterogeneity

Adaptive mesh refinement (AMR) is an important method that enables many mesh-based applications to run at effectively higher resolution within limited computing resources by allowing high resolution only where really needed. This advantage comes at a cost, however: greater complexity in the mesh management machinery and challenges with load distribution. With the current trend of increasing heterogeneity in hardware architecture, AMR presents an orthogonal axis of complexity. Additionally, the usual techniques, such as asynchronous communication and hierarchy management for parallelism and memory that are necessary to obtain reasonable performance are very challenging to reason about with AMR. Different groups working with AMR are bringing different approaches to this challenge. Here, we examine the design choices of several AMR codes and also the degree to which demands placed on them by their users influence these choices.

42 ENGINEERING↗

Towards improved speed and accuracy of laser powder bed fusion simulations via multiscale spatial representations

Due to the growing popularity of laser powder bed fusion (LPBF) as a metal additive manufacturing technique, there is a strong need to be able to accurately predict build outcomes. Full fidelity simulations of this process are not feasible due to the vast range of length and time scales inherent to it. While part-scale codes for simulating residual stress and distortion have shown reasonable predictive capability, they often neglect many aspects of the process occurring over smaller length/time scales, and thus are unable to capture effects of process parameter adjustments or the behavior of fine features. One way of capturing aspects at more refined length scales is through the use of adaptive mesh refinement (AMR). AMR allows for the process to be simulated at scales approaching the physical spatial dimensions without drastically increasing the total degrees of freedom in the simulation. This manuscript describes the implementation of an AMR algorithm within a multiphysics, parallelized finite element code, and its application to the LPBF problem. In this work, part-scale examples are provided where the use of AMR has allowed for higher fidelity thermal and thermomechanical simulations, as compared to experimental measurements. Results from these higher resolution simulations show that while AMR is a necessary component for increased accuracy in a computationally efficient manner, other improvements are also necessary, including handling of the multiple time scales inherent to the problem and the need for improved AM-specific material models.

42 ENGINEERING↗

A parallel adaptive mesh refinement algorithm

Over recent years, Adaptive Mesh Refinement (AMR) algorithms which dynamically match the local resolution of the computational grid to the numerical solution being sought have emerged as powerful tools for solving problems that contain disparate length and time scales. In particular, several workers have demonstrated the effectiveness of employing an adaptive, block-structured hierarchical grid system for simulations of complex shock wave phenomena. Unfortunately, from the parallel algorithm developer's viewpoint, this class of scheme is quite involved; these schemes cannot be distilled down to a small kernel upon which various parallelizing strategies may be tested. However, because of their block-structured nature such schemes are inherently parallel, so all is not lost. In this paper we describe the method by which Quirk's AMR algorithm has been parallelized. This method is built upon just a few simple message passing routines and so it may be implemented across a broad class of MIMD machines. Moreover, the method of parallelization is such that the original serial code is left virtually intact, and so we are left with just a single product to support. The importance of this fact should not be underestimated given the size and complexity of the original algorithm.

Quirk, James J.↗

Adaptive clipping‐and‐redistribution algorithms for bounded and conservative high‐order interpolations applied to discontinuous and reactive flows

Abstract A new adaptive clipping‐and‐redistribution method is presented which provides bounds‐preservation for multidimensional interpolation in the context of high‐order finite‐volume discretizations with adaptive mesh refinement (AMR). The underlying finite‐volume method (FVM) for the computational fluid dynamics applications is fourth‐order accurate for smooth solutions and utilizes AMR for computational efficiency in solving multiscale problems involving turbulence and combustion. High‐order interpolation between different AMR levels is required. However, this operation often leads to numerical issues because combustion species must have physical bounds preserved. The present study overcomes two major challenges in the development of the high‐order interpolation method. First, the method needs to be bound‐preserving near extrema or discontinuities to prevent the emergence of unphysical oscillations while maintaining fourth‐order accuracy in smooth flows. Second, the method needs to satisfy the conservation requirement in multiple dimensions, particularly in the context of curvilinear coordinate transformations. Additionally, the method is designed to be localized and computationally inexpensive. The new interpolation scheme is demonstrated by solving reacting flows, which are extremely sensitive to unphysical overshoots in conserved quantities. The test problems are shock‐induced ‐ combustion and a ‐air flame in a practical bluff‐body combustor. Results show the method prevents new extrema near discontinuities while maintaining high‐order accuracy in smooth regions. In particular, the method is extremely beneficial for combustion with stiff chemistry. With the proposed new method, even if flame fronts cross AMR interfaces or new grids are created in the vicinity of the flame, solution stability is retained.

97 MATHEMATICS AND COMPUTING↗

Using Adaptive Mesh Refinement to Study Grid Resolution Effects for Shock-Boundary Layer Interactions

Adaptive Mesh Refinement (AMR) promises a much more computationally efficient means to obtain a discrete approximation to a continuous boundary value problem of a specified accuracy than classic isotropic grid refinement. The AMR capability of OVERFLOW (a computational fluid dynamics (CFD) code) is utilized to provide estimates of the exact analytical solutions to problems of interest to turbulence modeling. Predictions of surface pressure and skin friction, essentially the state of stress at the surface, shows little difference with grids believed to be "grid resolved." Velocity profiles, on the other hand, show marked differences in flows with shocks. The AMR method, as implemented in OVERFLOW 2.2k, appears to provide the ability to produce arbitrarily accurate solutions at a predictable cost much smaller than classic uniform mesh refinement.

Turbulence Modeling↗

THE PLUTO CODE FOR ADAPTIVE MESH COMPUTATIONS IN ASTROPHYSICAL FLUID DYNAMICS

We present a description of the adaptive mesh refinement (AMR) implementation of the PLUTO code for solving the equations of classical and special relativistic magnetohydrodynamics (MHD and RMHD). The current release exploits, in addition to the static grid version of the code, the distributed infrastructure of the CHOMBO library for multidimensional parallel computations over block-structured, adaptively refined grids. We employ a conservative finite-volume approach where primary flow quantities are discretized at the cell center in a dimensionally unsplit fashion using the Corner Transport Upwind method. Time stepping relies on a characteristic tracing step where piecewise parabolic method, weighted essentially non-oscillatory, or slope-limited linear interpolation schemes can be handily adopted. A characteristic decomposition-free version of the scheme is also illustrated. The solenoidal condition of the magnetic field is enforced by augmenting the equations with a generalized Lagrange multiplier providing propagation and damping of divergence errors through a mixed hyperbolic/parabolic explicit cleaning step. Among the novel features, we describe an extension of the scheme to include non-ideal dissipative processes, such as viscosity, resistivity, and anisotropic thermal conduction without operator splitting. Finally, we illustrate an efficient treatment of point-local, potentially stiff source terms over hierarchical nested grids by taking advantage of the adaptivity in time. Several multidimensional benchmarks and applications to problems of astrophysical relevance assess the potentiality of the AMR version of PLUTO in resolving flow features separated by large spatial and temporal disparities.

79 ASTRONOMY AND ASTROPHYSICS↗

A HYBRID SOLAR WIND MODEL OF THE CESE+HLL METHOD WITH A YIN-YANG OVERSET GRID AND AN AMR GRID

A hybrid three-dimensional (3D) MHD model for solar wind study is proposed in the present paper with combined grid systems and solvers. The computational domain from the Sun to Earth space is decomposed into the near-Sun and off-Sun domains, which are respectively constructed with a Yin-Yang overset grid system and a Cartesian adaptive mesh refinement (AMR) grid system and coupled with a domain connection interface in the overlapping region between the near-Sun and off-Sun domains. The space-time conservation element and solution element method is used in the near-Sun domain, while the Harten-Lax-Leer method is employed in the off-Sun domain. The Yin-Yang overset grid can avoid well-known singularity and polar grid convergence problems and its body-fitting property helps achieve high-quality resolution near the solar surface. The block structured AMR Cartesian grid can automatically capture far-field plasma flow features, such as heliospheric current sheets and shock waves, and at the same time, it can save significant computational resources compared to the uniformly structured Cartesian grid. A numerical study of the solar wind structure for Carrington rotation 2069 shows that the newly developed hybrid MHD solar wind model successfully produces many realistic features of the background solar wind, in both the solar corona and interplanetary space, by comparisons with multiple solar and interplanetary observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Learning Robust Marking Policies for Adaptive Mesh Refinement

Here in this work, we revisit the marking decisions made in the standard adaptive finite element method (AFEM). Experience shows that a naïve marking policy leads to inefficient use of computational resources for adaptive mesh refinement (AMR). Consequently, using AMR in practice often involves ad-hoc or time-consuming offline parameter tuning to set appropriate parameters for the marking subroutine. To address these practical concerns, we recast AMR as a Markov decision process in which refinement parameters can be selected on-the-fly at run time, without the need for pre-tuning by expert users. In this new paradigm, the refinement parameters are also chosen adaptively via a marking policy that can be optimized using methods from reinforcement learning. We use the Poisson equation to demonstrate our techniques on h- and hp-refinement benchmark problems, and our experiments suggest that superior marking policies remain undiscovered for many classical AFEM applications. Furthermore, an unexpected observation from this work is that marking policies trained on one family of PDEs are sometimes robust enough to perform well on problems far outside the training family. For illustration, we show that a simple hp-refinement policy trained on 2D domains with only a single re-entrant corner can be deployed on far more complicated 2D domains, and even 3D domains, without significant performance loss. For reproduction and broader adoption, we accompany this work with an open-source implementation of our methods.

97 MATHEMATICS AND COMPUTING↗

Parthenon—a performance portable block-structured adaptive mesh refinement framework

On the path to exascale the landscape of computer device architectures and corresponding programming models has become much more diverse. While various low-level performance portable programming models are available, support at the application level lacks behind. To address this issue, we present the performance portable block-structured adaptive mesh refinement (AMR) framework Parthenon, derived from the well-tested and widely used Athena++ astrophysical magnetohydrodynamics code, but generalized to serve as the foundation for a variety of downstream multi-physics codes. Parthenon adopts the Kokkos programming model, and provides various levels of abstractions from multidimensional variables, to packages defining and separating components, to launching of parallel compute kernels. Parthenon allocates all data in device memory to reduce data movement, supports the logical packing of variables and mesh blocks to reduce kernel launch overhead, and employs one-sided, asynchronous MPI calls to reduce communication overhead in multi-node simulations. Using a hydrodynamics miniapp, we demonstrate weak and strong scaling on various architectures including AMD and NVIDIA GPUs, Intel and AMD x86 CPUs, IBM Power9 CPUs, as well as Fujitsu A64FX CPUs. At the largest scale on Frontier (the first TOP500 exascale machine), the miniapp reaches a total of 1.7 × 10 13 zone-cycles/s on 9216 nodes (73,728 logical GPUs) at [Formula: see text] weak scaling parallel efficiency (starting from a single node). In combination with being an open, collaborative project, this makes Parthenon an ideal framework to target exascale simulations in which the downstream developers can focus on their specific application rather than on the complexity of handling massively-parallel, device-accelerated AMR.

97 MATHEMATICS AND COMPUTING↗