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At least 289 records · Page 16

A two-level GPU-accelerated incomplete LU preconditioner for general sparse linear systems

This paper presents a parallel preconditioning approach based on incomplete LU (ILU) factorizations in the framework of Domain Decomposition (DD) for general sparse linear systems. We focus on distributed memory parallel architectures, specifically, those that are equipped with graphic processing units (GPUs). In addition to block-Jacobi, we present general purpose two-level ILU Schur complement-based approaches, where different strategies are presented to solve the coarse-level reduced system. These strategies are combined with modified ILU methods in the construction of the coarse-level operator, in order to effectively remove smooth errors by targeting an algebraically smooth vector. We leverage available GPU-based sparse matrix kernels to accelerate the setup and the solve phases of the proposed ILU preconditioner. We evaluate the efficiency of the proposed methods as a smoother for algebraic multigrid (AMG) and as a preconditioner for Krylov subspace methods on challenging anisotropic diffusion problems and a collection of general sparse matrices.

97 MATHEMATICS AND COMPUTING↗

PyAMG: Algebraic Multigrid Solvers in Python

PyAMG is a Python package of algebraic multigrid (AMG) solvers and supporting tools for approximating the solution to large, sparse linear systems of algebraic equations, Ax = b, where A is an n × n sparse matrix. Sparse linear systems arise in a range of problems in science, from fluid flows to solid mechanics to data analysis. While the direct solvers available in SciPy’s sparse linear algebra package (scipy.sparse.linalg) are highly efficient, in many cases iterative methods are preferred due to overall complexity. However, the iterative methods in SciPy, such as CG and GMRES, often require an efficient preconditioner in order to achieve a lower complexity. Preconditioning is a powerful tool whereby the conditioning of the linear system and convergence rate of the iterative method are both dramatically improved. PyAMG constructs multigrid solvers for use as a preconditioner in this setting. A summary of multigrid and algebraic multigrid solvers can be found in Olson (2015a), in Olson (2015b), and in Falgout (2006); a detailed description can be found in Briggs et al. (2000) and Trottenberg et al. (2001).

97 MATHEMATICS AND COMPUTING↗

Comprehensive Performance Calibration Guidance for Perovskites and Other Emerging Solar Cells

Emerging photovoltaic (PV) technologies (e.g., organic, perovskite, and solution processed quantum dot) have attracted remarkable attention with the rapid growth of their efficiencies, and their transition toward commercialization. Accurate and reliable efficiency measurements of these PV technologies are crucial, yet much more complicated than for conventional PV technologies due to the former's pronounced dynamic responses to changes in measurement conditions (e.g., current–voltage (I–V) scan rate and preconditioning) and their susceptibility to degradation. Adjustments to the measurement procedures are therefore necessary so that a reproducible “steady state” is reached during measurement. Furthermore, given the small size of many emerging cells, inappropriate device area definition and solar simulator setup can lead to measurement errors. Here, comprehensive efficiency calibration guidance is offered for emerging solar cells, including area measurement; spectral irradiance translation to standard test conditions; and steady-state electrical performance. The necessity of reporting steady-state efficiency is justified with a statistical performance comparison between conventional and steady-state I–V scans over hundreds of cells the group has received globally for efficiency certifications. The procedures described here do not require specialized measurement instrumentation; what matters most are changes to the measurement protocols. These described changes aim to enable better comparisons between reported efficiencies.

14 SOLAR ENERGY↗

Enabling 4C Fast Charging of Lithium–Ion Batteries by Coating Graphite with a Solid–State Electrolyte

Enabling fast-charging (≥4C) of lithium-ion batteries is an important challenge to accelerate the adoption of electric vehicles. However, the desire to maximize energy density has driven the use of increasingly thick electrodes, which hinders rate capability. Herein, atomic layer deposition is used to coat a single-ion conducting solid electrolyte (Li 3 BO 3 -Li 2 CO 3 ) onto postcalendered graphite electrodes, forming an artificial solid-electrolyte interphase (SEI). When compared to uncoated control electrodes, the solid electrolyte coating: 1) eliminates natural SEI formation during preconditioning; 2) decreases interphase impedance by >75% compared to the natural SEI; and 3) extends cycle life under 4C charging conditions, enabling retention of 80% capacity after 500 cycles (compared to 12 cycles in the uncoated control) in pouch cells with >3 mAh cm –2 loading. Furthermore, this work demonstrates that 4C charging without Li plating can be achieved through purely interfacial modification without sacrificing energy density and sheds new light on the role of the SEI in Li plating and fast-charge performance.

25 ENERGY STORAGE↗

Beyond ethics: The transformational power of overlapping motivations in implementing strategic sustainability actions

Abstract We develop a methodology to identify patterns between sustainability motivations, actions and engagement. We apply this methodology to analyse a 3 1/2‐year intervention that yielded 151 sustainability actions undertaken by 46 outbound tour operators. We find three aspects that can be explained by the tour operators' motivations to act sustainably, namely, a connection between: (i) the actions taken in the context of the organisation's business model, (ii) the intensity of the approach, measured by the resources invested in it and the operator's commitment level and (iii) the evolution of the response. These patterns demonstrate how ethical motivations are common and a precondition to acting sustainably, but, in themselves, these motivations are not sufficient to integrate sustainability practices into the core business or to maintain commitment over time. It is the combination of a high ethical commitment with clear strategic intent, materialised in commercial and operational motivations, that increases the connectedness, and intensity, of sustainability actions amongst ethically committed firms.

Bonilla‐Priego, Maria Jesus↗

Speedup of UEDGE Parameter Scans Using Machine-Learning Optimized OpenMP Parallelization and a Continuation Solver

This article presents the OpenMP parallelization of the preconditioning Jacobian assembly and right‐hand side residual evaluation in UEDGE. A continuation algorithm, utilizing the internal NKSOL implicit Jacobian‐Free Newton‐Krylov solver to efficiently scan physical parameters, is also presented. The implemented parallelization reduces the computational time for a benchmark scan run on 32 threads by compared to the serial version when using trained random forest regression models to identify the optimal decomposition of the system of equations. Random forest regression models applied to the UEDGE time‐dependent and continuation solver algorithms did not yield meaningful improvement in computational performance. A benchmark DIII‐D gas injection rate scan in the 0.35–0.75 kA interval, performed on a test cluster using the parallelized code and continuation solver, produced 1066 steady‐state solutions with a 22 s average wall‐clock computational time per steady‐state solution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Optimal Polynomial Smoothers and One‐Sided V‐Cycles for Poisson Problems

The solution to the Poisson equation arising from the spectral element discretization of the incompressible Navier‐Stokes equations needs robust preconditioning strategies. One such strategy is multigrid. To realize the potential of multigrid methods, effective smoothing strategies are needed. Chebyshev polynomial smoothers, in conjunction with pointwise Jacobi or additive Schwarz methods (ASMs), prove to be an effective smoother. Other polynomial smoothers, however, may provide superior convergence to the multigrid preconditioner. The authors compare the standard Chebyshev polynomial smoothers to both the novel fourth‐kind Chebyshev polynomial smoothers proposed by Lottes as well as smoothers based on the polynomial of best uniform approximation to as proposed by Kraus, Vassilevski, and Zikatanov. At the cost of symmetry, further improvements may be made. For example, a order polynomial smoother on both sides of the V‐cycle may be substituted with an order polynomial smoother on one side at no additional cost. The choice of omitting the postsmoother in favor of higher‐order polynomial presmoothing is advantageous in cases where the multigrid approximation property constant is large. The authors consider a 2D model problem based on finite differences to motivate the choice of polynomial smoother, order, and whether to apply postsmoothing for the target application of high‐order ‐geometric multigrid methods for GPU architectures. Results from both domains demonstrate the substantial improvement of these approaches over the standard Chebyshev polynomial smoother with a symmetric V‐cycle.

97 MATHEMATICS AND COMPUTING↗

Analysis of Coastal Fog from a Ship During the C-FOG Campaign

This work presents ship-based measurements of fog off St John’s Newfoundland on 13 September 2018 during the Coastal Fog (C-FOG) field campaign. The measurements included cloud-particle spectra, cloud-base height and aerosol backscatter, radiation, turbulence, visibility, and sea surface temperature. Radiosonde soundings were made at intervals less than 2 hours. Fog occurred in two episodes under the center of eastward-moving synoptic low-pressure system. The boundary layer structure during the first fog episode consisted of 3 layers, separated by 2 saturated air temperature inversions and capped by a subsidence inversion. The lowest layer was fog and the upper layers were cloud. The second fog episode consisted of one well-mixed fog layer capped by a subsidence inversion. Low wind speeds and stable stratification maintained low surface-layer turbulence during fog. Droplet size distributions had typical bimodal distributions. The visibility correlated with the droplet number concentration and liquid water content. The air temperature was higher than the sea surface temperature for the first 30 minutes of the first fog episode but was colder than the sea for the remainder of all fog. The sensible heat flux was upward, from sea to air, for the first 62 % of the first fog episode and then reversed to downward, from air to sea, for the remainder of the first fog episode and the second fog episode. Here, the counter-gradient heat fluxes observed (i.e., opposite to what is expected from the instantaneous air-sea temperature difference) appear to be related to turbulence, entrainment and stratification in the fog layer that overwhelmed the influence of air-sea temperature difference. While the synoptic-scale dynamics preconditioned the area for fog formation, the final step of fog appearance in this case was nuanced by stratification-turbulence interactions, local advective processes and microphysical environment.

54 ENVIRONMENTAL SCIENCES↗

A Segregated Approach for Modeling the Electrochemistry in the 3-D Microstructure of Li-Ion Batteries and Its Acceleration Using Block Preconditioners

Abstract Battery performance is strongly correlated with electrode microstructure. Electrode materials for lithium-ion batteries have complex microstructure geometries that require millions of degrees of freedom to solve the electrochemical system at the microstructure scale. A fast-iterative solver with an appropriate preconditioner is then required to simulate large representative volume in a reasonable time. In this work, a finite element electrochemical model is developed to resolve the concentration and potential within the electrode active materials and the electrolyte domains at the microstructure scale, with an emphasis on numerical stability and scaling performances. The block Gauss-Seidel (BGS) numerical method is implemented because the system of equations within the electrodes is coupled only through the nonlinear Butler–Volmer equation, which governs the electrochemical reaction at the interface between the domains. The best solution strategy found in this work consists of splitting the system into two blocks—one for the concentration and one for the potential field—and then performing block generalized minimal residual preconditioned with algebraic multigrid, using the FEniCS and the Portable, Extensible Toolkit for Scientific Computation libraries. Significant improvements in terms of time to solution (six times faster) and memory usage (halving) are achieved compared with the MUltifrontal Massively Parallel sparse direct Solver. Additionally, BGS experiences decent strong parallel scaling within the electrode domains. Last, the system of equations is modified to specifically address numerical instability induced by electrolyte depletion, which is particularly valuable for simulating fast-charge scenarios relevant for automotive application.

25 ENERGY STORAGE↗

Uniform Subspace Correction Preconditioners for Discontinuous Galerkin Methods with hp-Refinement

In this paper, we develop subspace correction preconditioners for discontinuous Galerkin (DG) discretizations of elliptic problems with hp-refinement. These preconditioners are based on the decomposition of the DG finite element space into a conforming subspace, and a set of small nonconforming edge spaces. The conforming subspace is preconditioned using a matrix-free low-order refined technique, which in this work, we extend to the hp-refinement context using a variational restriction approach. The condition number of the resulting linear system is independent of the granularity of the mesh h, and the degree of the polynomial approximation p. The method is amenable to use with meshes of any degree of irregularity and arbitrary distribution of polynomial degrees. Furthermore, numerical examples are shown on several test cases involving adaptively and randomly refined meshes, using both the symmetric interior penalty method and the second method of Bassi and Rebay (BR2).

97 MATHEMATICS AND COMPUTING↗

Linear and Nonlinear Solvers for Simulating Multiphase Flow within Large-Scale Engineered Subsurface Systems

Simulation of multiphase flow in the subsurface is well-known to be computationally challenging. While there have been many studies that have explored approaches to overcoming these challenges, they often utilize relatively simple case studies. In this paper, we focus on the unique numerical challenges posed by modeling large-scale engineered subsurface systems, characterized by discrete features embedded in a heterogeneous natural subsurface setting. The man-made features such as shafts, tunnels, and barriers often cause multiple challenges in modeling the domain for multiphase porous media flow. This flow scenario can have a wide range of applications such as nuclear waste repositories, enhanced recovery of a petroleum reservoir, geothermal engineering, and carbon sequestration. An example of these severe numerical challenges is the case of performance assessment (PA) for Waste Isolation Pilot Plant (WIPP), the only operating deep geological repository in the US, which simulates extreme material properties of bedded salt rock formation and extreme contrast due to open excavation next to the formation. The models have extremes not only of permeability and porosity but also of the constitutive models needed for multiphase flow; additionally, they have process models like salt creep closure reducing porosity over time, fracturing in clay and anhydrite interbeds of the bedded salt, gas generation from the waste materials, and unintentional human borehole intrusions in some scenarios. Numerical simulations require the solution of coupled systems of nonlinear PDEs; in our work, we use the open-source simulator PFLOTRAN which is based on Finite Volume discretization. The solution of the nonlinear equations requires use of the Newton-Raphson iteration at each time step, which entails the solution of the linearized Jacobian system at each iteration. The effects of all the processes (i.e., large number of unknowns, highly nonlinear constitutive relations, large contrasts in material properties in short distances) lead to an ill-conditioned Jacobian matrix that severely challenges traditional linear solver, i.e., stabilized biconjugate gradient with block Jacobi incomplete LU preconditioner (BCGS-ILU) leading to non-convergence for traditional Newton-Raphson nonlinear solver causing unacceptably long computation time for each model. This paper presents linear solvers such as constrained pressure residual (CPR) two-stage preconditioner with alternate-block-factorization (ABF) and quasi- implicit pressure and explicit saturation (QIMPES) decouplers and flexible generalized residual solver (FGMRES). The new general-purpose nonlinear solver, Newton trust-region dogleg Cauchy (NTRDC), is also introduced to resolve extreme nonlinearities in the models. We demonstrate the effectiveness of each method relative to the default BCGS-Newton solver. The two best cases had nearly 50 times speed-up and achieved completion of a simulation in 14 hours that never completed due to non-convergence with the default solver. We also investigate the strong scalability of each method and discuss some of the deficiencies found for Block Jacobi preconditioner using parallel domain decomposition, and node packing effects of modern processor architecture.

Preconditioner, Nonlinear, Porous media, Multiphas↗

Accelerating the solution of the S N equations with highly anisotropic scattering using the Fokker-Planck approximation

The discrete ordinates method can model forward-peaked transport problems accurately. However, convergence of discrete ordinates solution can become arbitrarily slow upon use of standard iterative procedures like source iteration. Standard zeroth and first moment-based acceleration methods like nonlinear diffusion acceleration and diffusion synthetic acceleration are ineffective in accelerating such problems because these methods do not correct higher order Legendre-moments of angular flux. In this paper, we explore the idea of using the Fokker-Planck approximation as a preconditioner to accelerate the convergence of solution of forward-peaked transport problems. Finally, we observe that such preconditioning can successfully reduce the iteration count by up to four orders of magnitude, and solver runtime by up to three orders of magnitude when compared to diffusion synthetic acceleration.

42 ENGINEERING↗

A review of experimental methods to determine bioaerosol transfer in energy recovery ventilators

Increasing ventilation is an effective method to reduce indoor airborne disease transmission. An Energy recovery ventilator (ERV) is a passive energy recovery device used to reduce the energy consumption of heating, ventilation and air-conditioning (HVAC) systems for conditioning the ventilation air. It preconditions the ventilation air by transferring energy from building exhaust air. Therefore, the ventilation and exhaust air streams interact directly/indirectly in the ERV for energy transfer. It is surmised that the ERV may transfer bioaerosols (with pathogens) from the exhaust air to ventilation air, resulting in the spread of infectious diseases. Consequently, many pandemic HVAC guidelines recommend that the use of ERVs be limited. This is a highly unsustainable direction given the increased energy requirements associated with the high ventilation provision advocated for pandemic operation. It must be noted that no validated experimental evidence exists in literature for bioaerosol transfer in ERVs. Hence, it is necessary to conduct extensive bioaerosol transfer research before adopting the unsustainable practice of limiting the utilization of ERVs. The main objective of this review study is to summarize the experimental methods and instrumentation for bioaerosol transfer research in ERVs. This comprehensive article provides a detailed overview of the generation, sampling, and analysis of bioaerosols for conducting the experiments. Further, it explains the possible mechanisms for bioaerosol transfer in various types of ERVs based on which the ERVs that need immediate attention are identified. The main contribution of this research paper is that it provides a novel experimental method which encompasses the biosafety aspects, instrumentation, performance parameters and uncertainties in conducting virus contained bioaerosol transfer study in ERVs. The findings from this review will be helpful in designing bioaerosol transfer experiments and developing future ERV test standards for such experiments.

42 ENGINEERING↗

MAPPRAISER: A massively parallel map-making framework for multi-kilo pixel CMB experiments

Forthcoming cosmic microwave background (CMB) polarized anisotropy experiments have the potential to revolutionize our understanding of the Universe and fundamental physics. The sought-after, tale-telling signatures will be however distributed over voluminous data sets which these experiments will collect. These data sets will need to be efficiently processed and unwanted contributions due to astrophysical, environmental, and instrumental effects characterized and efficiently mitigated in order to uncover the signatures. This poses a significant challenge to data analysis methods, techniques, and software tools which will not only have to be able to cope with huge volumes of data but to do so with unprecedented precision driven by the demanding science goals posed for the new experiments. A keystone of efficient CMB data analysis is solvers of very large linear systems of equations. Such systems appear in very diverse contexts throughout CMB data analysis pipelines, however they typically display similar algebraic structures and can therefore be solved using similar numerical techniques. Linear systems arising in the so-called map-making problem are one of the most prominent and common ones. In this work we present a massively parallel, flexible and extensible framework, comprised of a numerical library, MIDAPACK, and a high level code, MAPPRAISER, which provide tools for solving efficiently such systems. Here, the framework implements iterative solvers based on conjugate gradient techniques: enlarged and preconditioned using different preconditioners. We demonstrate the framework on simulated examples reflecting basic characteristics of the forthcoming data sets issued by ground-based and satellite-borne instruments, executing it on as many as 16,384 compute cores. The software is developed as an open source project freely available to the community at: https://github.com/B3Dcmb/midapack.

79 ASTRONOMY AND ASTROPHYSICS↗

Integral boundary conditions in phase field models

Modeling the chemical, electric and thermal transport as well as phase transitions and the accompanying mesoscale microstructure evolution within a material in an electronic device setting involves the solution of partial differential equations often with integral boundary conditions. Employing the familiar Poisson equation describing the electric potential evolution in a material exhibiting insulator to metal transitions, we exploit a special property of such an integral boundary condition, and we properly formulate the variational problem and establish its well-posedness. Next, we compare our method with the commonly-used Lagrange multiplier method that can also handle such boundary conditions. Numerical experiments demonstrate that our new method achieves optimal convergence rate in contrast to the conventional Lagrange multiplier method. Furthermore, the linear system derived from our method is symmetric positive definite, and can be efficiently solved by Conjugate Gradient method with algebraic multigrid preconditioning.

97 MATHEMATICS AND COMPUTING↗

Scalable DPG multigrid solver for Helmholtz problems: A study on convergence

This paper presents a scalable multigrid preconditioner targeting large-scale systems arising from discontinuous Petrov–Galerkin (DPG) discretizations of high-frequency wave operators. This work is built on previously developed multigrid preconditioning techniques of Petrides and Demkowicz (Comput. Math. Appl. 87 (2021) pp. 12–26) and extends the convergence results from $\mathscr{O}$(10 7 ) degrees of freedom (DOFs) to $\mathscr{O}$(10 9 ) DOFs using a new scalable parallel MPI/OpenMP implementation. Novel contributions of this paper include an alternative definition of coarse-grid systems based on restriction of fine-grid operators, yielding superior convergence results. In the uniform refinement setting, a detailed convergence study is provided, demonstrating h and p robust convergence and linear scaling with respect to the wave frequency. Finally, the paper concludes with numerical results on hp -adaptive simulations including a large-scale seismic modeling benchmark problem with high material contrast.

97 MATHEMATICS AND COMPUTING↗

Simulation toolkit for digital material characterization of large image-based microstructures

In this paper, an efficient image-based simulation toolkit for material characterization is presented, which is scalable to work from personal computers to workstations. The effective thermal conductivity, elasticity, and permeability are evaluated employing a computational homogenization framework based on the Finite Element Method (FEM). Two complementary open-source packages are presented: one developed in Python, which can convert digital images into voxel meshes (pyTomoviewer); the other developed in Julia, that can run numerical simulations to compute effective material properties (chpack). Also, a CUDA C version of chpack is provided (chfem_gpu). They were designed to deal with large multi-phase models, so strategies were devised to minimize their memory footprint, while avoiding a high toll on execution time. The voxel-based approach significantly simplifies the FEM meshes and allows efficient matrix-free implementations. In that sense, to handle large linear systems of equations, the element-by-element (EBE) technique is adopted, in conjunction with a low-memory implementation of the Preconditioned Conjugate Gradient (PCG) method. Finally, the code was thoroughly tested on an artificial geometry made of a square array of cylinders, for which analytical solutions exist, as well as on a real micro-tomographic reconstruction of FiberForm TM , a carbon preform commonly used in thermal protection systems.

36 MATERIALS SCIENCE↗

High-order matrix-free incompressible flow solvers with GPU acceleration and low-order refined preconditioners

In this work, we present a matrix-free flow solver for high-order finite element discretizations of the incompressible Navier-Stokes and Stokes equations with GPU acceleration. For high polynomial degrees, assembling the matrix for the linear systems resulting from the finite element discretization can be prohibitively expensive, both in terms of computational complexity and memory. For this reason, it is necessary to develop matrix-free operators and preconditioners, which can be used to efficiently solve these linear systems without access to the matrix entries themselves. The matrix-free operator evaluations utilize GPU-accelerated sum-factorization techniques to minimize memory movement and maximize throughput. The preconditioners developed in this work are based on a low-order refined methodology with parallel subspace corrections, as described for diffusion problems in [1]. The saddle-point Stokes system is solved using block-preconditioning techniques, which are robust in mesh size, polynomial degree, time step, and viscosity. For the incompressible Navier-Stokes equations, we make use of projection (fractional step) methods, which require Helmholtz and Poisson solves at each time step. The performance of our flow solvers is assessed on several benchmark problems in two and three spatial dimensions.

97 MATHEMATICS AND COMPUTING↗