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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Data-driven analysis of relight variability of jet fuels induced by turbulence

For safety purposes, reliable reignition of aircraft engines in the event of flame blow-out is a critical requirement. Typically, an external ignition source in the form of a spark is used to achieve a stable flame in the combustor. However, such forced turbulent ignition may not always successfully relight the combustor, mainly because the state of the combustor cannot be precisely determined. Uncertainty in the turbulent flow inside the combustor, inflow conditions, and spark discharge characteristics can lead to variability in sparking outcomes even for nominally identical operating conditions. Prior studies have shown that of all the uncertain parameters, turbulence is often dominant and can drastically alter ignition behavior. For instance, even when different fuels have similar ignition delay times, their ignition behavior in practical systems can be completely different. In practical operating conditions, it is challenging to understand why ignition fails and how much variation in outcomes can be expected. The focus of this work is to understand relight variability induced by turbulence for two different aircraft fuels, namely Jet-A and a variant named C1. A detailed, previously developed simulation approach is used to generate a large number of successful and failed ignition events. Using this data, the cause of misfire is evaluated based on a discriminant analysis that delineates the difference between turbulent initial conditions that lead to ignition or failure. From the discriminant analysis, a compressed sensing algorithm is then applied to help pinpoint the locations of relevant turbulent features. Findings from the discriminant analysis are confirmed with the time history of near kernel properties. Next, a clustering strategy is used to identify ignition and misfire modes. With this approach, it was determined that the cause of ignition failure is different for the two fuels. While it was found that Jet-A is influenced by fuel entrainment, C1 was found to be more sensitive to small scale turbulence features. Finally, a larger variability is found in the ignition modes of C1, which can be subject to extreme events induced by kernel breakdown.

42 ENGINEERING↗
DOE OSTI2021

Performance Analysis of PIConGPU: Particle-in-Cell on GPUs using NVIDIA’s NSight Systems and NSight Compute

PIConGPU, Particle In Cell on GPUs, is an open source simulations framework for plasma and laser-plasma physics used to develop advanced particle accelerators for radiation therapy of cancer, high energy physics and photon science. While PIConGPU has been optimized for at least 5 years to run well on NVIDIA GPU-based clusters, there has been limited exploration by the development team of potential scalability bottlenecks using recently updated and new tools including NVIDIA’s NVProf tool and the brand-new NVIDIA NSight Suite (Systems and Compute) tools. PIConGPU is a highly optimized application that runs production jobs at scale on a system Oak Ridge Leadership Facility’s (OLCF) Summit supercomputer (using the full machine at 4600 nodes; at 98% of GPU utilization on all ~28000 NVIDIA Volta GPUs). PIConGPU has been selected as one of the the eight applications for OLCF’s coveted Center for Accelerated Application Readiness (CAAR) program aimed at the facility’s Frontier supercomputer (OLCF’s first exascale system to launch in 2021), to partner with our vendors (primary vendors: AMD and Cray/HPE) ensuring that Frontier will be able to perform large-scale science when it opens to users in 2022. To this effect, performance engineers on the PIConGPU team wanted to dive deep into the application to understand at the finest granularity, which portions of the code could be further optimized to exploit the hardware on Summit at it’s maximum potential and also to elucidate which key kernels should be tracked and optimized for the CAAR effort to port this code to Frontier. Any bottlenecks that are observed via performance profiling on Summit are likely to also impact scalability on the Frontier-dev system and the Frontier Early Access (EA) system. Additionally, the engineers wanted to take a closer look at the newest NVIDIA profiling tools which allows us to identify the most useful features on these tools and will provide an opportunity to compare it to new AMD and Cray’s performance analysis tool releases and provide feedback to our vendor partners on what features are most important and mission critical for CAAR efforts. The primary goal of this report is to focus on the evaluation of PIConGPU’s most time-intensive kernels using NVProf and NSight Suite. Three kernels, Current Deposition (also known as Compute Current), Particle Push (Move and Mark), and Shift Particles are known to be some of the most time-consuming kernels in PIConGPU. The Current xi Deposition kernel and Particle Push kernel both set up the particle attributes for running any physics simulation with PIConGPU, so it is crucial to improve the performance of these two kernels. In this report, we measure single GPU metrics for the three kernels, offer high level takeaways from the conducted analysis, and compare the profiling data from NSight Compute to that of NVProf. This analysis was performed using a grid size of 240 x 272 x 224, and 10 time steps with the Mid-November Figure of Merit (FOM) run setup. The Traveling Wave Electron Acceleration (TWEAC) science case used in this run is a representative science case for PIConGPU. This execution can also be used for baseline analysis on AMD MI50/ MI60 systems. As of the time of writing, the PIConGPU application has limited use for features of NSight Systems, so this report will mainly focus on insights garnered from NSight Compute. For this analysis, we run the “full” metric set available in NSight Compute version 2020.1.2 and use NSight Systems version 2020.3.1 to generate the application timeline.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Flux and Reaction Rate Kernel Density Estimators in OpenMC

Current methods for obtaining flux and reaction rate profiles in a Monte Carlo simulation rely on histogram tallies that can suffer from large uncertainties when fine detail is required. Recently, another density estimation technique has been applied to Monte Carlo radiation transport sim ulations: the Kernel Density Estimator (KDE) [Banerjee, K.]. KDEs are capable of calculating the flux at a point without the necessity of tracking particles on a spatial mesh, making KDEs ideal tools for multi-physics problems. Furthermore, KDEs allow for one collision or track length to contribute to the estimate of the flux at multiple points, circumventing the large statistical uncertainties associated with fine-mesh histogram tallies. However, KDEs have only been proven to be capable of estimating flux values at a series of points; no work has been done to estimate reaction rates or other quantities of interest. Furthermore, little work has been done in optimizing the KDE bandwidth for the energy-dependence of neutron transport simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

CMB lensing bispectrum: Assessing analytical predictions against full-sky lensing simulations

We report that cosmic microwave background (CMB) lensing is an integrated effect whose kernel is greater than half the peak value in the range 1 < z < 5. Measuring this effect offers a powerful tool to probe the large-scale structure of the Universe at high redshifts. With the increasing precision of ongoing CMB surveys, other statistics than the lensing power spectrum, in particular the lensing bispectrum, will be measured at high statistical significance. This will provide ways to improve the constraints on cosmological models and lift degeneracies. Following up on an earlier paper, we test analytical predictions of the CMB lensing bispectrum against full-sky lensing simulations, and we discuss their validity and limitation in detail. The tree-level prediction of perturbation theory agrees with the simulation only up to ℓ ~ 200 , but the one-loop order allows capturing the simulation results up to ℓ ~ 600 . We also show that analytical predictions based on fitting formulas for the matter bispectrum agree reasonably well with simulation results, although the precision of the agreement depends on the configurations and scales considered. For instance, the agreement is at the 10% level for the equilateral configuration at multipoles up to ℓ ~ 2000 , but the difference in the squeezed limit increases to more than a factor of 2 at ℓ ~ 2000 . This discrepancy appears to come from limitations in the fitting formula of the matter bispectrum. We also find that the analytical prediction for the post-Born correction to the bispectrum is in good agreement with the simulation. Finally, we conclude by discussing the bispectrum prediction in some theories of modified gravity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Accelerating magnonic simulations with the pseudospectral Landau-Lifshitz equation

The pseudospectral Landau-Lifshitz (PS-LL) model can describe atomic-scale magnetic exchange interactions within a continuum framework. This is achieved by employing a convolution kernel that models the nonlocal interaction in a grid-independent manner. Even though the PS-LL was originally introduced to address atomic exchange, any nonlocal kernel can be modeled. In the field of magnonics, the dipole field is fundamental to describe the dispersion relation of magnons, the quasiparticle representation of angular momentum. Because dipole-dipole interactions are long-range, numerical approaches typically rely on convolutions. Here, we demonstrate that the PS-LL model can be used to perform magnonic simulations with a single convolution kernel derived from analytical solutions. We demonstrate a twofold increase in computational speed compared with the full dipole calculation. This approach is valid insofar as the excitations are linear, which is typically the case for magnons. Our results have the potential to accelerate magnonic research, particularly for the inverse design method, where several simulations must be performed to achieve the desired outcome.

Mathematics and computing↗
DOE OSTI2014

The radius distribution of planets around cool stars

We calculate an empirical, non-parametric estimate of the shape of the period-marginalized radius distribution of planets with periods less than 150 days using the small yet well-characterized sample of cool (T{sub eff} < 4000 K) dwarf stars in the Kepler catalog. In particular, we present and validate a new procedure, based on weighted kernel density estimation, to reconstruct the shape of the planet radius function down to radii smaller than the completeness limit of the survey at the longest periods. Under the assumption that the period distribution of planets does not change dramatically with planet radius, we show that the occurrence of planets around these stars continues to increase to below 1 R{sub ⊕}, and that there is no strong evidence for a turnover in the planet radius function. In fact, we demonstrate using many iterations of simulated data that a spurious turnover may be inferred from data even when the true distribution continues to rise toward smaller radii. Finally, the sharp rise in the radius distribution below ∼3 R{sub ⊕} implies that a large number of planets await discovery around cool dwarfs as the sensitivities of ground-based transit surveys increase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

THREE-POINT PHASE CORRELATIONS: A NEW MEASURE OF NONLINEAR LARGE-SCALE STRUCTURE

We derive an analytical expression for a novel large-scale structure observable: the line correlation function. The line correlation function, which is constructed from the three-point correlation function of the phase of the density field, is a robust statistical measure allowing the extraction of information in the nonlinear and non-Gaussian regime. We show that, in perturbation theory, the line correlation is sensitive to the coupling kernel F{sub 2}, which governs the nonlinear gravitational evolution of the density field. We compare our analytical expression with results from numerical simulations and find a 1σ agreement for separations r ≳ 30 h{sup −1} Mpc. Fitting formulae for the power spectrum and the nonlinear coupling kernel at small scales allow us to extend our prediction into the strongly nonlinear regime, where we find a 1σ agreement with the simulations for r ≳ 2 h{sup −1} Mpc. We discuss the advantages of the line correlation relative to standard statistical measures like the bispectrum. Unlike the latter, the line correlation is independent of the bias, in the regime where the bias is local and linear. Furthermore, the variance of the line correlation is independent of the Gaussian variance on the modulus of the density field. This suggests that the line correlation can probe more precisely the nonlinear regime of gravity, with less contamination from the power spectrum variance.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

An O ( N ) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles

Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct computational evaluation requires O ( N 2 ) operations, where N is the number of unknowns. Such a scaling, which arises from the many-body nature of the relevant Green's function, has precluded wide-spread adoption of integral methods for solution of large-scale scientific and engineering problems. In this work, a parallel computational approach is presented that relies on using scalable open source libraries and utilizes a kernel-independent Fast Multipole Method (FMM) to evaluate the integrals in O ( N ) operations, with O ( N ) memory cost, thereby substantially improving the scalability and efficiency of computational integral methods. We demonstrate the accuracy, efficiency, and scalability of our approach in the context of two examples. In the first, we solve a boundary value problem for a ferroelectric/ferromagnetic volume in free space. In the second, we solve an electrostatic problem involving polarizable dielectric bodies in an unbounded dielectric medium. Lastly, the results from these test cases show that our proposed parallel approach, which is built on a kernel-independent FMM, can enable highly efficient and accurate simulations and allow for considerable flexibility in a broad range of applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

S-PLUS DR1 galaxy clusters and groups catalogue using PzWav

ABSTRACT We present a catalogue of 4499 groups and clusters of galaxies from the first data release of the multi-filter (5 broad, 7 narrow) Southern Photometric Local Universe Survey (S-PLUS). These groups and clusters are distributed over 273 deg2 in the Stripe 82 region. They are found using the PzWav algorithm, which identifies peaks in galaxy density maps that have been smoothed by a cluster scale difference-of-Gaussians kernel to isolate clusters and groups. Using a simulation-based mock catalogue, we estimate the purity and completeness of cluster detections: at S/N > 3.3, we define a catalogue that is 80 per cent pure and complete in the redshift range 0.1 < z < 0.4, for clusters with M200 > 1014 M⊙. We also assessed the accuracy of the catalogue in terms of central positions and redshifts, finding scatter of σR = 12 kpc and σz = 8.8 × 10−3, respectively. Moreover, less than 1 per cent of the sample suffers from fragmentation or overmerging. The S-PLUS cluster catalogue recovers ∼80 per cent of all known X-ray and Sunyaev-Zel’dovich selected clusters in this field. This fraction is very close to the estimated completeness, thus validating the mock data analysis and paving an efficient way to find new groups and clusters of galaxies using data from the ongoing S-PLUS project. When complete, S-PLUS will have surveyed 9300 deg2 of the sky, representing the widest uninterrupted areas with narrow-through-broad multi-band photometry for cluster follow-up studies.

Astronomy & Astrophysics↗
DOE OSTI2023

High-Fidelity Energy Deposition Ignition Model Coupled with Flame Propagation Models at Engine-like Flow Conditions

With the heightened pressure on car manufacturers to increase the efficiency and reduce the carbon emissions of their fleets, more challenging engine operation has become a viable option. Highly dilute, boosted, and stratified charge, among others, promise engine efficiency gains and emissions reductions. At such demanding engine conditions, the spark-ignition process is a key factor for the flame initiation propagation and the combustion event. From a computational standpoint, there exist multiple spark-ignition models that perform well under conventional conditions but are not truly predictive under strenuous engine operation modes, where the underlying physics needs to be expanded. In this paper, a hybrid Lagrangian-Eulerian spark-ignition (LESI) model is coupled with different turbulence models, grid sizes, and combustion models. The ignition model, previously developed, relies on coupling Eulerian energy deposition with a Lagrangian particle evolution of the spark channel, at every time-step. The spark channel is attached to the electrodes and allowed to elongate at a speed derived from the flow velocity. The LESI model is used to simulate spark ignition in a nonquiescent crossflow environment at engine-like conditions, using converge commercial computational fluid dynamics (CFD) solver. The results highlight the consistency, robustness, and versatility of the model in a range of engine-like setups, from typical with Reynolds-averaged Navier-Stokes (RANS) and a larger grid size to high fidelity with large-eddy simulation (LES) and a finer grid size. The flame kernel growth is then evaluated against Schlieren images from an optical constant volume ignition chamber with a focus on the performance of flame propagation models, such as G-equation and thickened flame model, versus the baseline well-stirred reactor model. Finally, future development details are discussed.

Advanced ignition modeling↗
DOE OSTI2020

Exascale Algorithms and Software for Lattice Field Theory in High Energy Physics: Searching Beyond the Standard Model

The Boston University component has focused on the algorithmic development of new Multigrid solver for the critical kernel for the Dirac propagators that dominated the both simulation require for lattice ensemble and the analysis of physical correlation functions. Progress on this has meet the above objects, even exceeding them a bit. The result is the beginning if multiscale lattice QCD applicable to future Exascale hardware and the development of the QUDA software for NVIDIA GPUs to give near optimal performance. As we approach exascale hardware and computation at that scale this provides the infrastructure for further advances.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Modeling thermochemistry of fuel and coupling to fuel performance codes

A thermochemical library, Thermochimica, utilizes new algorithms and solvers designed for calculating equilibria of multicomponent and multiphase systems and has been coupled to the nuclear fuel performance code BISON. Thermochimica utilizes a generalized thermochemical database for urania-based fuels that has been under development for a number of years and continues to be expanded. One of the key motivations for use of thermodynamic models is that they can better represent the physics of oxygen migration. The coupling of the BISON code with Thermochimica and examples of its use in representing fuel phenomena are described. In the current implementation in BISON, fluxes are driven by the elemental concentration gradient. However, equilibrium is characterized by the absence of spatial variations of chemical potentials of the system species/components. The driving force to equilibrium (species flux) is proportional to the deviation from equilibrium, i.e., the gradient in chemical potential. It is therefore necessary to integrate chemical potential driven diffusion in the BISON representation of oxygen transport. The diffusion kernels based on thermodynamic models have been developed to simulate multicomponent transport in light water reactor (LWR) materials. The Thermochimica library was used to calculate various thermodynamics properties needed for transport calculations. The library also can calculate properties that are specific to various transport mechanisms for different fuel materials. For example, it can calculate defect site fractions among the sublattices in oxide fuels as a function of temperature, burnup, and stoichiometry. The transport and thermodynamic models are being integrated with other simulation efforts such as calculation of mobility functions that couple fluxes and chemical gradients. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Exponential concentration in quantum kernel methods

Kernel methods in Quantum Machine Learning (QML) have recently gained significant attention as a potential candidate for achieving a quantum advantage in data analysis. Among other attractive properties, when training a kernel-based model one is guaranteed to find the optimal model’s parameters due to the convexity of the training landscape. However, this is based on the assumption that the quantum kernel can be efficiently obtained from quantum hardware. In this work we study the performance of quantum kernel models from the perspective of the resources needed to accurately estimate kernel values. We show that, under certain conditions, values of quantum kernels over different input data can be exponentially concentrated (in the number of qubits) towards some fixed value. Thus on training with a polynomial number of measurements, one ends up with a trivial model where the predictions on unseen inputs are independent of the input data. We identify four sources that can lead to concentration including expressivity of data embedding, global measurements, entanglement and noise. For each source, an associated concentration bound of quantum kernels is analytically derived. Lastly, we show that when dealing with classical data, training a parametrized data embedding with a kernel alignment method is also susceptible to exponential concentration. Our results are verified through numerical simulations for several QML tasks. Altogether, we provide guidelines indicating that certain features should be avoided to ensure the efficient evaluation of quantum kernels and so the performance of quantum kernel methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Ab initio generalized Langevin equation

We introduce a machine learning–based approach called ab initio generalized Langevin equation (AIGLE) to model the dynamics of slow collective variables (CVs) in materials and molecules. In this scheme, the parameters are learned from atomistic simulations based on ab initio quantum mechanical models. Force field, memory kernel, and noise generator are constructed in the context of the Mori–Zwanzig formalism, under the constraint of the fluctuation–dissipation theorem. Combined with deep potential molecular dynamics and electronic density functional theory, this approach opens the way to multiscale modeling in a variety of situations. Here, we demonstrate this capability with a study of two mesoscale processes in crystalline lead titanate, namely the field-driven dynamics of a planar ferroelectric domain wall, and the dynamics of an extensive lattice of coarse-grained electric dipoles. In the first case, AIGLE extends the reach of ab initio simulations to a regime of noise-driven motions not accessible to molecular dynamics. In the second case, AIGLE deals with an extensive set of CVs by adopting a local approximation for the memory kernel and retaining only short-range noise correlations. The scheme is computationally more efficient than molecular dynamics by several orders of magnitude and mimics the microscopic dynamics at low frequencies where it reproduces accurately the dominant far-infrared absorption frequency.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

SU-E-T-104: An Examination of Dose in the Buildup and Build-Down Regions

Purpose: To examine dose in the buildup and build-down regions and compare measurements made with various models and dosimeters Methods: Dose was examined in a 30×30cm {sup 2} phantom of water-equivalent plastic with 10cm of backscatter for various field sizes. Examination was performed with radiochromic film and optically-stimulated-luminescent-dosimeter (OSLD) chips, and compared against a plane-parallel chamber with a correction factor applied to approximate the response of an extrapolation chamber. For the build-down region, a correction factor to account for table absorption and chamber orientation in the posterior-anterior direction was applied. The measurement depths used for the film were halfway through their sensitive volumes, and a polynomial best fit curve was used to determine the dose to their surfaces. This chamber was also compared with the dose expected in a clinical kernel-based computer model, and a clinical Boltzmann-transport-equation-based (BTE) computer model. The two models were also compared against each other for cases with air gaps in the buildup region. Results: Within 3mm, all dosimeters and models agreed with the chamber within 10% for all field sizes. At the entrance surface, film differed in comparison with the chamber from +90% to +15%, the BTE-model by +140 to +3%, and the kernel-based model by +20% to −25%, decreasing with increasing field size. At the exit surface, film differed in comparison with the chamber from −10% to −15%, the BTE-model by −53% to −50%, the kernel-based model by −55% to −57%, mostly independent of field size. Conclusion: The largest differences compared with the chamber were found at the surface for all field sizes. Differences decreased with increasing field size and increasing depth in phantom. Air gaps in the buildup region cause dose buildup to occur again post-gap, but the effect decreases with increasing phantom thickness prior to the gap.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-I-43: A Software-Based Statistical Method to Compute Low Contrast Detectability in Computed Tomography Images

Purpose: The low contrast detectability (LCD) of a CT scanner is its ability to detect and display faint lesions. The current approach to quantify LCD is achieved using vendor-specific methods and phantoms, typically by subjectively observing the smallest size object at a contrast level above phantom background. However, this approach does not yield clinically applicable values for LCD. The current study proposes a statistical LCD metric using software tools to not only to assess scanner performance, but also to quantify the key factors affecting LCD. This approach was developed using uniform QC phantoms, and its applicability was then extended under simulated clinical conditions. Methods: MATLAB software was developed to compute LCD using a uniform image of a QC phantom. For a given virtual object size, the software randomly samples the image within a selected area, and uses statistical analysis based on Student’s t-distribution to compute the LCD as the minimal Hounsfield Unit’s that can be distinguished from the background at the 95% confidence level. Its validity was assessed by comparison with the behavior of a known QC phantom under various scan protocols and a tissue-mimicking phantom. The contributions of beam quality and scattered radiation upon the computed LCD were quantified by using various external beam-hardening filters and phantom lengths. Results: As expected, the LCD was inversely related to object size under all scan conditions. The type of image reconstruction kernel filter and tissue/organ type strongly influenced the background noise characteristics and therefore, the computed LCD for the associated image. Conclusion: The proposed metric and its associated software tools are vendor-independent and can be used to analyze any LCD scanner performance. Furthermore, the method employed can be used in conjunction with the relationships established in this study between LCD and tissue type to extend these concepts to patients’ clinical CT images.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Examining the microtexture evolution in a hole-edge punched into 780 MPa grade hot-rolled steel

The deformation behavior in the hole-edge of 780 MPa grade hot-rolled steel during the punching process was investigated via microstructure characterization and computational simulation. Microstructure characterization was conducted to observe the edges of punched holes through the thickness direction, and electron back-scattered diffraction (EBSD) was used to analyze the heterogeneity of the deformation. Finite element analysis (FEA) that could account for a ductile fracture criterion was conducted to simulate the deformation and fracture behaviors of 780 MPa grade hot-rolled steel during the punching process. Calculation of rotation rate fields at the edges of the punched holes during the punching process revealed that metastable orientations in Euler space were confined to specific orientation groups. Rotation-rate fields effectively explained the stability of the initial texture components in the hole-edge region during the punching process. A visco-plastic self-consistent (VPSC) polycrystal model was used to calculate the microtexture evolution in the hole-edge region during the punching process. FEA revealed that the heterogeneous effective strain was closely related to the heterogeneity of the Kernel average misorientation (KAM) distribution in the hole-edge region. A simulation of the deformation microtexture evolution in the hole-edge region using a VPSC model was in good agreement with the experimental results. - Highlights: •We analyzed the microstructure in a hole-edge punched in HR 780HB steel. •Rotation rate fields revealed the stability of the initial texture components. •Heterogeneous effective stain was closely related to the KAM distribution. •VPSC model successfully simulated the deformation microtexture evolution.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Modeling pre-Exascale AMR Parallel I/O Workloads via Proxy Applications

The present work investigates the modeling of preexascale input/output (I/O) workloads of Adaptive Mesh Refinement (AMR) simulations through a simple proxy application. We collect data from the AMReX Castro framework running on the Summit supercomputer for a wide range of scales and mesh partitions for the hydrodynamic Sedov case as a baseline to provide sufficient coverage to the formulated proxy model. The non-linear analysis data production rates are quantified as a function of a set of input parameters such as output frequency, grid size, number of levels, and the Courant-Friedrichs-Lewy (CFL) condition number for each rank, mesh level and simulation time step. Linear regression is then applied to formulate a simple analytical model which allows to translate AMReX inputs into MACSio proxy I/O application parameters, resulting in a simple “kernel” approximation for data production at each time step. Results show that MACSio can simulate actual AMReX nonlinear “static” I/O workloads to a certain degree of confidence on the Summit supercomputer using the present methodology. The goal is to provide an initial level of understanding of AMR I/O workloads via lightweight proxy applications models to facilitate autotune data management strategies in anticipation of exascale systems.

Godoy, William↗