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At least 73 records · Page 4

A space-time parallel algorithm with adaptive mesh refinement for computational fluid dynamics

This work describes a space-time parallel algorithm with space-time adaptive mesh refinement (AMR). AMR with subcycling is added to multigrid reduction-in-time (MGRIT) in order to provide solution efficient adaptive grids with a reduction in work performed on coarser grids. This algorithm is achieved by integrating two software libraries: XBraid (Parallel time integration with multigrid. https://computation.llnl.gov/projects/parallel-timeintegration-multigrid) and Chombo (Chombo software package for AMR applications—design document, 2014). The former is a parallel time integration library using multigrid and the latter is a massively parallel structured AMR library. Employing this adaptive space-time parallel algorithm is Chord (Comput Fluids 123:202–217, 2015), a computational fluid dynamics (CFD) application code for solving compressible fluid dynamics problems. For the same solution accuracy, speedups are demonstrated from the use of space-time parallelization over the time-sequential integration on Couette flow and Stokes’ second problem. On a transient Couette flow case, at least a 1.5× speedup is achieved, and with a time periodic problem, a speedup of up to 13.7× over the time-sequential case is obtained. In both cases, the speedup is achieved by adding processors and exploring additional parallelization in time. The numerical experiments show the algorithm is promising for CFD applications that can take advantage of the time parallelism. Future work will focus on improving the parallel performance and providing more tests with complex fluid dynamics to demonstrate the full potential of the algorithm.

97 MATHEMATICS AND COMPUTING↗

Resident Block-Structured Adaptive Mesh Refinement on Thousands of Graphics Processing Units, In: 2015 44th International Conference on Parallel Processing

Block-structured adaptive mesh refinement (AMR) is a technique that can be used when solving partial differential equations to reduce the number of cells necessary to achieve the required accuracy in areas of interest. These areas (shock fronts, material interfaces, etc.) are recursively covered with finer mesh patches that are grouped into a hierarchy of refinement levels. Despite the potential for large savings in computational requirements and memory usage without a corresponding reduction in accuracy, AMR adds overhead in managing the mesh hierarchy, adding complex communication and data movement requirements to a simulation. In this paper, we describe the design and implementation of a resident GPU-based AMR library, including: the classes used to manage data on a mesh patch, the routines used for transferring data between GPUs on different nodes, and the data-parallel operators developed to coarsen and refine mesh data. We validate the performance and accuracy of our implementation using three test problems and two architectures: an 8 node cluster, and 4,196 nodes of Oak Ridge National Laboratory's Titan supercomputer. Our GPU-based AMR hydrodynamics code performs up to 4.87× faster than the CPU-based implementation, and is scalable on 4,196 K20x GPUs using a combination of MPI and CUDA.

Computer Science↗

PARAMESH: A Parallel Adaptive Mesh Refinement Community Toolkit

In this paper, we describe a community toolkit which is designed to provide parallel support with adaptive mesh capability for a large and important class of computational models, those using structured, logically cartesian meshes. The package of Fortran 90 subroutines, called PARAMESH, is designed to provide an application developer with an easy route to extend an existing serial code which uses a logically cartesian structured mesh into a parallel code with adaptive mesh refinement. Alternatively, in its simplest use, and with minimal effort, it can operate as a domain decomposition tool for users who want to parallelize their serial codes, but who do not wish to use adaptivity. The package can provide them with an incremental evolutionary path for their code, converting it first to uniformly refined parallel code, and then later if they so desire, adding adaptivity.

MacNeice, Peter↗

GR-Athena++: Puncture Evolutions on Vertex-centered Oct-tree Adaptive Mesh Refinement

Numerical relativity is central to the investigation of astrophysical sources in the dynamical and strong-field gravity regime, such as binary black hole and neutron star coalescences. Current challenges set by gravitational-wave and multimessenger astronomy call for highly performant and scalable codes on modern massively parallel architectures. We present GR-Athena++, a general-relativistic, high-order, vertex-centered solver that extends the oct-tree, adaptive mesh refinement capabilities of the astrophysical (radiation) magnetohydrodynamics code Athena++. To simulate dynamical spacetimes, GR-Athena++ uses the Z4c evolution scheme of numerical relativity coupled to the moving puncture gauge. We demonstrate stable and accurate binary black hole merger evolutions via extensive convergence testing, cross-code validation, and verification against state-of-the-art effective-one-body waveforms. GR-Athena++ leverages the task-based parallelism paradigm of Athena++ to achieve excellent scalability. We measure strong-scaling efficiencies above 95% for up to ~1.2 × 10 4 CPUs and excellent weak scaling is shown up to ~10 5 CPUs in a production binary black hole setup with adaptive mesh refinement. GR-Athena++ thus allows for the robust simulation of compact binary coalescences and offers a viable path toward numerical relativity at exascale.

79 ASTRONOMY AND ASTROPHYSICS↗

Dark matter from axion strings with adaptive mesh refinement

Abstract Axions are hypothetical particles that may explain the observed dark matter density and the non-observation of a neutron electric dipole moment. An increasing number of axion laboratory searches are underway worldwide, but these efforts are made difficult by the fact that the axion mass is largely unconstrained. If the axion is generated after inflation there is a unique mass that gives rise to the observed dark matter abundance; due to nonlinearities and topological defects known as strings, computing this mass accurately has been a challenge for four decades. Recent works, making use of large static lattice simulations, have led to largely disparate predictions for the axion mass, spanning the range from 25 microelectronvolts to over 500 microelectronvolts. In this work we show that adaptive mesh refinement simulations are better suited for axion cosmology than the previously-used static lattice simulations because only the string cores require high spatial resolution. Using dedicated adaptive mesh refinement simulations we obtain an over three order of magnitude leap in dynamic range and provide evidence that axion strings radiate their energy with a scale-invariant spectrum, to within ~5% precision, leading to a mass prediction in the range (40,180) microelectronvolts.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Multidimensional Numerical Modeling of Combustion Dynamics in a Non-Premixed Rotating Detonation Engine With Adaptive Mesh Refinement

In the present work, a novel computational fluid dynamics (CFD) methodology was developed to simulate full-scale non-premixed rotating detonation engines (RDEs). A unique feature of the modeling approach was the incorporation of adaptive mesh refinement (AMR) to achieve a good trade-off between model accuracy and computational expense. Here, unsteady Reynolds-averaged Navier–Stokes (RANS) simulations were performed for an Air Force Research Laboratory (AFRL) non-premixed RDE configuration with hydrogen as fuel and air as the oxidizer. The finite-rate chemistry model, along with a ten-species detailed kinetic mechanism, was employed to describe the H 2 -Air combustion chemistry. Three distinct operating conditions were simulated, corresponding to the same global equivalence ratio of unity but different fuel/air mass flowrates. For all conditions, the capability of the model to capture essential detonation wave dynamics was assessed. An exhaustive verification and validation study was performed against experimental data in terms of a number of waves, wave frequency, wave height, reactant fill height, oblique shock angle, axial pressure distribution in the channel, and fuel/air plenum pressure. The CFD model was demonstrated to accurately predict the sensitivity of these wave characteristics to the operating conditions, both qualitatively and quantitatively. A comprehensive heat release analysis was also conducted to quantify detonative versus deflagrative burning for the three simulated cases. The present CFD model offers a potential capability to perform rapid design space exploration and/or performance optimization studies for realistic full-scale RDE configurations.

42 ENGINEERING↗

THREE-DIMENSIONAL ADAPTIVE MESH REFINEMENT SIMULATIONS OF LONG-DURATION GAMMA-RAY BURST JETS INSIDE MASSIVE PROGENITOR STARS

We present the results of special relativistic, adaptive mesh refinement, 3D simulations of gamma-ray burst jets expanding inside a realistic stellar progenitor. Our simulations confirm that relativistic jets can propagate and break out of the progenitor star while remaining relativistic. This result is independent of the resolution, even though the amount of turbulence and variability observed in the simulations is greater at higher resolutions. We find that the propagation of the jet head inside the progenitor star is slightly faster in 3D simulations compared to 2D ones at the same resolution. This behavior seems to be due to the fact that the jet head in 3D simulations can wobble around the jet axis, finding the spot of least resistance to proceed. Most of the average jet properties, such as density, pressure, and Lorentz factor, are only marginally affected by the dimensionality of the simulations and therefore results from 2D simulations can be considered reliable.

79 ASTRONOMY AND ASTROPHYSICS↗

A new re-redistribution scheme for weighted state redistribution with adaptive mesh refinement

State redistribution (SRD) is a recently developed technique for stabilizing cut cells that result from finite-volume embedded boundary methods. SRD has been successfully applied to a variety of compressible and incompressible flow problems. When used in conjunction with adaptive mesh refinement (AMR), additional steps are needed to preserve the accuracy and conservation properties of the solution if the embedded boundary is not restricted to a single level of the mesh hierarchy. In this work, we extend the weighted state redistribution algorithm to cases where cut cells live at or near a coarse-fine interface within the domain. Here, we present numerical results that demonstrate that the algorithm is conservative when the coarse-fine interface intersects the embedded boundary. Additionally we compare the numerical solution of the Sod shock tube problem in an inclined cylinder with the analytic solution, and we compare the simulation of a shock hitting a cylindrical obstacle with experimental data. Finally we demonstrate the methodology for simulation of the multicomponent compressible Navier-Stokes equations in a piston-bowl geometry, and discuss the computational efficiency gained by not requiring the entire embedded boundary to be defined at the finest level.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Thickness-based adaptive mesh refinement methods for multi-phase flow simulations with thin regions

In numerical simulations of multi-scale, multi-phase flows, grid refinement is required to resolve regions with small scales. A notable example is liquid-jet atomization and subsequent droplet dynamics. It is essential to characterize the detailed flow physics with variable length scales with high fidelity, in order to elucidate the underlying mechanisms. In this paper, two thickness-based mesh refinement schemes are developed based on distance- and topology-oriented criteria for thin regions with confining wall/plane of symmetry and in any situation, respectively. Both techniques are implemented in a general framework with a volume-of-fluid formulation and an adaptive-mesh-refinement capability. The distance-oriented technique compares against a critical value, the ratio of an interfacial cell size to the distance between the mass center of the cell and a reference plane. The topology-oriented technique is developed from digital topology theories to handle more general conditions. The requirement for interfacial mesh refinement can be detected swiftly, without the need of thickness information, equation solving, variable averaging or mesh repairing. The mesh refinement level increases smoothly on demand in thin regions. The schemes have been verified and validated against several benchmark cases to demonstrate their effectiveness and robustness. These include the dynamics of colliding droplets, droplet motions in a microchannel, and atomization of liquid impinging jets. Overall, the thickness-based refinement technique provides highly adaptive meshes for problems with thin regions in an efficient and fully automatic manner.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Adaptive Mesh Refinement for Parallel in Time Methods

The project applied the multigrid-reduction-in-time (MGRIT) algorithm to an existing sub-cycled adaptive mesh refinement (AMR) code to investigate the performance of flows dominated by inertial physics. Previous work demonstrated good performance from MGRIT+AMR applied to flows dominated by diffusive physics. Consistent with previous experience, inertial physics negatively affected convergence rates and performance. Efforts to circumvent this issue by appealing to the physics of turbulence were investigated. It has been demonstrated that scales can be effectively transferred between multigrid levels for a turbulent flow resulting in a) partial convergence observed and b) nearly identical results to sequential time-stepping. Performance improvements have not yet been demonstrated - attempts at coarsening the grid on coarser MG levels compromises the solution quality and leads to divergence. This report summarize the accomplishments for the time-frame from 10/5/2020 to 12/31/2020 with an informal no-cost-extension to 05/20/2021

97 MATHEMATICS AND COMPUTING↗

Relativistic magnetohydrodynamics in dynamical spacetimes: A new adaptive mesh refinement implementation

We have written and tested a new general relativistic magnetohydrodynamics code, capable of evolving magnetohydrodynamics (MHD) fluids in dynamical spacetimes with adaptive-mesh refinement (AMR). Our code solves the Einstein-Maxwell-MHD system of coupled equations in full 3+1 dimensions, evolving the metric via the Baumgarte-Shapiro Shibata-Nakamura formalism and the MHD and magnetic induction equations via a conservative, high-resolution shock-capturing scheme. The induction equations are recast as an evolution equation for the magnetic vector potential, which exists on a grid that is staggered with respect to the hydrodynamic and metric variables. The divergenceless constraint {nabla}{center_dot}B=0 is enforced by the curl of the vector potential. Our MHD scheme is fully compatible with AMR, so that fluids at AMR refinement boundaries maintain {nabla}{center_dot}B=0. In simulations with uniform grid spacing, our MHD scheme is numerically equivalent to a commonly used, staggered-mesh constrained-transport scheme. We present code validation test results, both in Minkowski and curved spacetimes. They include magnetized shocks, nonlinear Alfven waves, cylindrical explosions, cylindrical rotating disks, magnetized Bondi tests, and the collapse of a magnetized rotating star. Some of the more stringent tests involve black holes. We find good agreement between analytic and numerical solutions in these tests, and achieve convergence at the expected order.

97 MATHEMATICS AND COMPUTING↗

AMRIC: A Novel In Situ Lossy Compression Framework for Efficient I/O in Adaptive Mesh Refinement Applications

As supercomputers advance towards exascale capabilities, computational intensity increases significantly, and the volume of data requiring storage and transmission experiences exponential growth. Adaptive Mesh Refinement (AMR) has emerged as an effective solution to address these two challenges. Concurrently, error-bounded lossy compression is recognized as one of the most efficient approaches to tackle the latter issue. Despite their respective advantages, few attempts have been made to investigate how AMR and error-bounded lossy compression can function together. To this end, this study presents a novel in-situ lossy compression framework that employs the HDF5 filter to improve both I/O costs and boost compression quality for AMR applications. We implement our solution into the AMReX framework and evaluate on two real-world AMR applications, Nyx and WarpX, on the Summit supercomputer. Experiments with 512 cores demonstrate that AMRIC improves the compression ratio by 81X and the I/O performance by 39X over AMReX's original compression solution.

Wang, Daoce↗

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↗

Assessing Adaptive Mesh Refinement (AMR) in a Forced Shallow-Water Model with Moisture

Two forced shallow-water flow scenarios are explored in a 2D fourth-order finite-volume dynamical core with adaptive mesh refinement (AMR) to investigate AMR’s ability to track and resolve complex evolving features. Traditional shallow-water test cases are mainly characterized by large-scale smooth flows that do not effectively test the multiscale abilities of variable-resolution and AMR models to resolve sharp gradients and small-scale flow filaments. Therefore, adding forcing mechanisms to the shallow-water system to model key atmospheric processes adds complexity and creates small-scale phenomena. These can serve as foci for dynamic grid refinement while remaining simple enough to study the numerical design of a model’s dynamical core. The first shallow-water flow scenario represents a strengthening, tropical cyclone–like, vortex that is driven by a Betts–Miller-like convection scheme. The second shallow-water test is built upon a barotropically unstable jet with an added Kessler-like warm rain scheme that leads to precipitating frontal zones. The key feature of both tests is that there is significant sensitivity to the model grid while converging (structurally) at high resolution. Both test cases are investigated for a series of uniform resolutions and a variety of AMR tagging criteria. The AMR simulations demonstrate that grid refinement can resolve local features without requiring global high-resolution meshes. However, the results are sensitive to the refinement criteria. Criteria that trigger refinement early in a simulation reproduce the uniform-resolution reference solutions most reliably. Finally, in contrast, AMR criteria that delay refinement for several days require careful tuning of the AMR thresholds to improve results compared with uniform-resolution simulations.

54 ENVIRONMENTAL SCIENCES↗

An Adaptive-Mesh-Refinement Based Computational Tool for Simulating Catalysis at Mesoscale

In this work, we present a computational tool for mesoscale applications using open-source exascale- computing compatible adaptive-mesh-refinement (AMR) library, AMReX [2]. AMReX is software library that enables development of application solvers with block-structured Cartesian AMR. Our tool has capabilities to include realistic geometry representation, chemical species transport, reactions and thermodynamics that are critical for capturing mesoscale physics. A significant achievement is the ability of our solver to automatically import electron microscopy data in the form of a stereolithography (STL) or pixelated file format (mrc, tiff) without undergoing the tedious task of unstructured mesh generation. This feature allows for rapid simulation of catalyst particles with complex morphologies using an immersed-boundary formulation. The use of AMR allows for higher resolutions at catalyst surface interfaces, which in turn provides an accurate description of surface reactions and transport. Our solver uses a hybrid distributed and shared memory parallelism (OpenMP/GPU-based) with which strong scaling up to 10,000 processors for realistic catalyst particle simulations have been demonstrated.

BIOMASS FUELS,MATHEMATICS AND COMPUTING↗

Adaptive Mesh Refinement Large Eddy Simulation of the Supercritical Carbon Dioxide Round Turbulent Jet

Supercritical carbon dioxide (sCO2) is of interest to a range of engineering problems, including carbon capture, utilization, and storage (CCUS) as well as advanced cycles for power generation. Non-ideal variations in physical properties of sCO2 impact the physics of these systems. In this study, we simulate turbulent sCO2 jets to gain a better understanding of these physics.We use a second order finite volume method with adaptive mesh refinement as implemented in the first-principles simulation code PeleC to perform a Large Eddy Simulation (LES) of three turbulent jets of sCO2. Additionally, we use the Soave-Redlich-Kwong equation of state to close the system and examine the impact of a cubic equation of state on the turbulent flow physics. We look at velocity and Reynolds stress profiles at different downstream locations for three cases in which the temperature of the jet andthat of the ambient fluid differ in order to capture the effects of widely varying thermal properties in the pseudocritical region. These results are then contrasted with established theory for ideal gas jets.

adaptive mesh refinement↗

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.↗

High resolution numerical simulations of methane pool fires using adaptive mesh refinement

The ability to accurately predict the structure and dynamics of pool fires using computational simulations is of great interest in a wide variety of applications, including accidental and wildland fires. However, the presence of physical processes spanning a broad range of spatial and temporal scales poses a significant challenge for simulations of such fires, particularly at conditions near the transition between laminar and turbulent flow. Here, in this study, we examine the transition to turbulence in methane pool fires using high-resolution simulations with multi-step finite rate chemistry, where adaptive mesh refinement (AMR) is used to directly resolve small-scale flow phenomena. We perform three simulations of methane pool fires, each with increasing diameter, corresponding to increasing inlet Reynolds and Richardson numbers. As the diameter increases, the flow transitions from organized vortex roll-up via the puffing instability to much more chaotic mixing associated with finger formation along the shear layer and core collapse near the inlet. These effects combine to create additional mixing close to the inlet, thereby enhancing fuel consumption and causing more rapid acceleration of the fluid above the pool. We also make comparisons between the transition to turbulence and core collapse in the present pool fires and in inert helium plumes, which are often used as surrogates for the study of buoyant reacting flows.

42 ENGINEERING↗