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At least 1,693 records · Page 94

CRADA Number NFE-17-06866 with Active Energy Systems, Inc. (CRADA Final Report)

Cooperative Research and Development Agreement (CRADA) NFE-17-06866 between Oak Ridge National Laboratory (ORNL) and Active Energy Systems Inc. (AES) focused on studying and modeling a low cost, high efficiency energy storage technology. The successful development of low-cost, high-efficiency energy storage is a significant bottleneck in the implementation of intermittent renewable energy sources such as wind and solar. AES is a startup company developing a heat exchange technology to utilize a low-temperature phase change material (PCM). The work done under this CRADA explored this technology’s ability to augment a heat pump/heat engine device to convert electricity into thermal energy and vice versa, operating to complement the needs of the electric grid. Modeling, design and development of a prototype to prove the technology was successful, but current production economics and market demand make further exploration undesirable.

25 ENERGY STORAGE↗

Linking the Pilot Structural Model and Pilot Workload

Behavioral models are developed that closely reproduced pulsive control response of two pilots using markedly different control techniques while conducting a tracking task. An intriguing find was that the pilots appeared to: 1) produce a continuous, internally-generated stick signal that they integrated in time; 2) integrate the actual stick position; and 3) compare the two integrations to either issue or cease a pulse command. This suggests that the pilots utilized kinesthetic feedback in order to sense and integrate stick position, supporting the hypothesis that pilots can access and employ the proprioceptive inner feedback loop proposed by Hess's pilot Structural Model. A Pilot Cost Index was developed, whose elements include estimated workload, performance, and the degree to which the pilot employs kinesthetic feedback. Preliminary results suggest that a pilot's operating point (parameter values) may be based on control style and index minimization.

Pilot workload↗

Artificial ground reflector size and position effects on energy yield and economics of single‐axis‐tracked bifacial photovoltaics

Abstract Artificial ground reflectors improve bifacial energy yield by increasing both front and rear‐incident irradiance. Studies have demonstrated an increase in energy yield due to the addition of artificial reflectors; however, they have not addressed the effect of varying reflector dimensions and placement on system performance and the impact of these parameters on the reflectors' financial viability. We studied the effect of high albedo (70% reflective) artificial reflectors on single‐axis‐tracked bifacial photovoltaic systems through ray‐trace modeling and field measurements. In the field, we tested a range of reflector configurations by varying reflector size and placement and demonstrated that reflectors increased daily energy yield up to 6.2% relative to natural albedo for PERC modules. To confirm the accuracy of our model, we compared modeled and measured power and found a root mean square error (RMSE) of 5.4% on an hourly basis. We modeled a typical meteorological year in Golden, Colorado, to demonstrate the effects of artificial reflectors under a wide range of operating conditions. Seventy percent reflective material can increase total incident irradiance by 1.9%–8.6% and total energy yield by 0.9%–4.5% annually after clipping is considered with a DC–AC ratio of 1.2. Clipping has a significant effect on reflector impact and must be included when assessing reflector viability because it reduces reflector energy gain. We calculated a maximum viable cost for these improvements of up to $2.50–4.60/m 2 , including both material and installation, in Golden. We expanded our analysis to cover a latitude range of 32–48°N and demonstrated that higher‐latitude installations with lower energy yield and higher diffuse irradiance content can support higher reflector costs. In both modeling and field tests, and for all locations, the ideal placement of the reflectors was found to be directly underneath the module due to the optimized rear irradiance increase.

14 SOLAR ENERGY↗

Decarbonization Scenarios in the United States: Comparing Biofuels Growth in Two Models - GCAM and BSM

Scenarios for deep decarbonization rely on biomass for biofuels, biopower, and bioproducts, often including negative emissions via carbon capture and storage or utilization. Despite the prominence of biomass in many deep decarbonization pathways, critical questions remain about biomass allocation, effects of transportation electrification, the pace of growth, and implications for agriculture and land use. We address these questions through a unique comparison of carbon pricing effects on the growth of biomass utilization and its effects on land use in the United States by comparing results from a multisectoral integrated assessment model, the Global Change Analysis Model [GCAM], with results from a biomass-to-biofuels system dynamics model, the Biomass Scenario Model [BSM]. We contribute to model comparison efforts by analyzing the biomass deployment needed for a scenario consistent with a "Middle of the Road" Shared Socioeconomic Pathway [SSP2] and a representative concentration pathway of 2.6 W/m2. The GCAM scenarios solve for global equilibrium conditions that are consistent with this pathway, including demands for biomass across all economic sectors and representing bioenergy with carbon capture and storage as a technology option. The BSM scenarios assess those biomass and biofuel results for the United States and identify challenges associated with that pace and amount of expansion. In the scenario analysis, we harmonize key factors such as carbon price trajectory, domestic ethanol fuel demand, ethanol blending, and arable land availability, and vary them in both models. In GCAM, we vary the carbon price, transportation electrification, ethanol blending constraints, and arable land availability inputs and the value of the carbon in land; in BSM, in addition to directly inputting certain GCAM results, we vary the maximum rate of biorefinery construction, flexibility of feedstock types across conversion processes, and policy incentives such as tax credits and renewable identification number payments. The selected carbon price trajectory results in a rapid increase in biofuel production in the United States, reaching about 9.4 EJ/year in 2060 in the highest scenario analyzed in GCAM. Results differ between the two models in timing and ultimate quantity of biomass and biofuel production. GCAM biofuel quantities generally exceed BSM amounts because CCS is applied to biofuel pathways in GCAM, and because of differences in capacity expansion and related dynamics of land allocation, biomass production, and price dynamics. These dynamics include rapid biorefinery capacity expansion in high demand cases. To satisfy this biomass demand, GCAM rapidly equilibrates land allocation, but the BSM limits the rate at which this re-allocation can occur. A further contrast with the equilibrium approach in GCAM is that the BSM represents a delay between planting and harvesting woody biomass resources. As a result of these model contrasts, feedstock costs in BSM increase more than in GCAM, and the absence of CCS in the BSM also reduces the relative economic attractiveness of biofuels production. The bottlenecks, lags, and price increases also lead to potential for volatility in feedstock price and land allocation to biomass in the BSM. GCAM has more biomass production than BSM in all scenarios, partly because of the broader, economy-wide coverage of GCAM, in contrast to BSM's exclusive focus on biofuels. In both models, trends like those of biofuels production were observed for biomass production: minimal growth without a carbon price and policy incentives, and increases with a carbon price, particularly with carbon capture and storage, because the inputs assume that biopower and biofuels decrease greenhouse gas emissions. In high policy scenarios, biomass demand is high, and the consequent high biomass prices due to the land re-allocation bottleneck in the BSM limit biofuel production even if the biorefinery capacity is expanded. However, because biomass prices do not increase as much in the low policy scenario, growth is slower and the land-reallocation bottleneck no longer dominates, such that the effect of increased capacity can be seen. Across both the models, a change in assumptions from less to more land availability increases biofuel production in both GCAM and BSM, as the upward pressure on feedstock price and volatility are both reduced.

biofuels↗

Optimization of the design of thick, segmented scintillators for megavoltage cone-beam CT using a novel, hybrid modeling technique

Purpose: Active matrix flat-panel imagers (AMFPIs) incorporating thick, segmented scintillators have demonstrated order-of-magnitude improvements in detective quantum efficiency (DQE) at radiotherapy energies compared to systems based on conventional phosphor screens. Such improved DQE values facilitate megavoltage cone-beam CT (MV CBCT) imaging at clinically practical doses. However, the MV CBCT performance of such AMFPIs is highly dependent on the design parameters of the scintillators. In this paper, optimization of the design of segmented scintillators was explored using a hybrid modeling technique which encompasses both radiation and optical effects. Methods: Imaging performance in terms of the contrast-to-noise ratio (CNR) and spatial resolution of various hypothetical scintillator designs was examined through a hybrid technique involving Monte Carlo simulation of radiation transport in combination with simulation of optical gain distributions and optical point spread functions. The optical simulations employed optical parameters extracted from a best fit to measurement results reported in a previous investigation of a 1.13 cm thick, 1016μm pitch prototype BGO segmented scintillator. All hypothetical designs employed BGO material with a thickness and element-to-element pitch ranging from 0.5 to 6 cm and from 0.508 to 1.524 mm, respectively. In the CNR study, for each design, full tomographic scans of a contrast phantom incorporating various soft-tissue inserts were simulated at a total dose of 4 cGy. Results: Theoretical values for contrast, noise, and CNR were found to be in close agreement with empirical results from the BGO prototype, strongly supporting the validity of the modeling technique. CNR and spatial resolution for the various scintillator designs demonstrate complex behavior as scintillator thickness and element pitch are varied—with a clear trade-off between these two imaging metrics up to a thickness of ∼3 cm. Based on these results, an optimization map indicating the regions of design that provide a balance between these metrics was obtained. The map shows that, for a given set of optical parameters, scintillator thickness and pixel pitch can be judiciously chosen to maximize performance without resorting to thicker, more costly scintillators. Conclusions: Modeling radiation and optical effects in thick, segmented scintillators through use of a hybrid technique can provide a practical way to gain insight as to how to optimize the performance of such devices in radiotherapy imaging. Assisted by such modeling, the development of practical designs should greatly facilitate low-dose, soft tissue visualization employing MV CBCT imaging in external beam radiotherapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Low-Scaling Algorithm for Nudged Elastic Band Calculations Using a Surrogate Machine Learning Model

We present the incorporation of a surrogate Gaussian process regression (GPR) atomistic model to greatly accelerate the rate of convergence of classical nudged elastic band (NEB) calculations. In our surrogate model approach, the cost of converging the elastic band no longer scales with the number of moving images on the path. This provides a far more efficient and robust transition state search. In contrast to a conventional NEB calculation, the algorithm presented here eliminates any need for manipulating the number of images to obtain a converged result. This is achieved by inventing a new convergence criteria that exploits the probabilistic nature of the GPR to use uncertainty estimates of all images in combination with the force in the saddle point in the target model potential. In conclusion, our method is an order of magnitude faster in terms of function evaluations than the conventional NEB method with no accuracy loss for the converged energy barrier values.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Deep Borehole Field Test Specifications

This report documents conceptual design development for the Deep Borehole Field Test (DBFT), mainly the test packages (not containing waste) and the system for demonstrating emplacement and retrieval of those packages in the Field Test Borehole (FTB). For the DBFT to have demonstration value, it must be based on conceptualization of a deep borehole disposal (DBD) system for specific waste forms. This document therefore describes a current reference DBD concept, and analyzes key design options for disposal, to guide selection of options for the DBFT. The most important of these options is the emplacement mode, i.e. whether packages are emplaced using a wireline or a string of drill pipe (with a drill rig). This choice is analyzed using cost and risk models, in Sections 5 and 6. Other emplacement mode options are also identified and discussed. The reference DBD concept and the analysis of waste packaging and emplacement options, are used to develop requirements and assumptions for the DBFT and to recommend DBFT specifications. Design issues are identified, and priorities are developed for further conceptual design development and additional engineering analysis, anticipating future design activities. Conceptual design development is part of a process that proceeds in three stages: 1) conceptual design including feasibility studies; 2) preliminary design that includes technical and cost information necessary for final design; and 3) final design sufficient for fabrication or construction. The DBFT engineering demonstration will follow such an evolution. Whereas design evolution typically begins with bench-scale and pilot-scale investigations proceeding to conceptual, preliminary, and final designs, the DBFT can proceed directly to design because of extensive previous work and published literature on scientific drilling, characterization methods, waste packaging and handling, industrial deep-hole drilling and construction, and downhole operations. Hence it is anticipated that this report will lead to completion of conceptual design, then preliminary and final design, fabrication and testing, and demonstration of waste emplacement in a deep borehole.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Benchtop Autonomous Electrochemical Characterization System for Combinatorial Thin-Film Solid Oxide Electrodes

The design of materials for electrochemical energy conversion is complicated by a vast search space of candidate materials and multifaceted property requirements: multicarrier conductivity, stability, and catalytic activity are all necessary but rarely intersect. Although self-driving laboratories are rapidly rising to address such material optimization problems, the required infrastructure for integrated, large-scale robotic facilities can be cost-prohibitive. Here we develop and evaluate a closed-loop measurement system for efficient screening of proton-conducting oxide electrodes for ceramic fuel cells and electrolyzers, building on top of an existing benchtop instrument and integrating techniques for rapid impedance measurement and automated analysis. This system exemplifies a “minimum viable” self-driving implementation that can deliver substantial benefits with relatively simple infrastructure. Combinatorial thin-film microelectrode libraries are characterized with a recently developed joint time-domain and frequency-domain impedance measurement technique, which provides an order-of-magnitude acceleration relative to conventional impedance spectroscopy. The distribution of relaxation times is extracted from impedance data and analyzed without human intervention. These results feed an active learning and Bayesian optimization process that learns to predict electrochemical impedance as a function of material composition, measurement temperature, oxygen partial pressure, and electrical bias, which further reduces the screening time by tenfold with optimized experimental sequences. We apply this system to Ba⁡(Co,Fe,Zr,Y)⁢O 3−𝛿 combinatorial libraries and evaluate its effectiveness for learning material property trends and optimizing expensive-to-evaluate properties such as activation energy. This offers insights into key methodological aspects of practical autonomous experimentation, including surrogate model validation, cost-aware acquisition functions, and high-throughput data interpretation. Our results demonstrate the efficacy of the system for rapidly gathering information, but also highlight real-world experimental challenges of thin-film degradation and numerical instability in surrogate models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A data-driven framework for permeability prediction of natural porous rocks via microstructural characterization and pore-scale simulation

Understanding the microstructure–property relationships of porous media is of great practical significance, based on which macroscopic physical properties can be directly derived from measurable microstructural informatics. However, establishing reliable microstructure–property mappings in an explicit manner is difficult, due to the intricacy, stochasticity, and heterogeneity of porous microstructures. In this paper, a data-driven computational framework is presented to investigate the inherent microstructure–permeability linkage for natural porous rocks, where multiple techniques are integrated together, including microscopy imaging, stochastic reconstruction, microstructural characterization, pore-scale simulation, feature selection, and data-driven modeling. A large number of 3D digital rocks with a wide porosity range are acquired from microscopy imaging and stochastic reconstruction techniques. A broad variety of morphological descriptors are used to quantitatively characterize pore microstructures from different perspectives, and they compose the raw feature pool for feature selection. Here high-fidelity lattice Boltzmann simulations are conducted to resolve fluid flow passing through porous media, from which reliable permeability references are obtained. The optimal feature set that best represents permeability is identified through a performance-oriented feature selection process, upon which a cost-effective surrogate model is rapidly fitted to approximate the microstructure-permeability mapping via data-driven modeling. This surrogate model exhibits great advantages over empirical/analytical formulas in terms of prediction accuracy and generalization capacity, which can predict reliable permeability values spanning four orders of magnitude. Besides, feature selection also greatly enhances the interpretability of the data-driven prediction model, from which new insights into the mechanism of how microstructural characteristics determine intrinsic permeability are obtained.

58 GEOSCIENCES↗

Floating Wind Array Ontology and Modeling Framework

While there are many tools for designing and modeling a single floating turbine, array level design and modeling has much more to consider. Designing floating wind arrays requires a coupled approach considering many variables, from bathymetry to installation and maintenance to failure and risk analysis. With all of these considerations, an array-level modeling tool is needed to quickly evaluate array designs. The Floating Array Model (FAModel) tool developed at the National Renewable Energy Laboratory was created to fill this gap in low-fidelity array modeling. FAModel is a python framework created to streamline holistic low-fidelity floating wind modeling for array-level analysis. FAModel integrates site data and models with a variety of open-source modeling tools developed by NREL, including FLORIS, RAFT, MoorPy, and anchor capacity models. The integration of these tools allows users to quickly and holistically design an array by considering forces, area analysis, visualization, annual energy production, failure modeling, and component costs.

17 WIND ENERGY↗

Safe Upper-Bounds Inference of Energy Consumption for Java Bytecode Applications

Many space applications such as sensor networks, on-board satellite-based platforms, on-board vehicle monitoring systems, etc. handle large amounts of data and analysis of such data is often critical for the scientific mission. Transmitting such large amounts of data to the remote control station for analysis is usually too expensive for time-critical applications. Instead, modern space applications are increasingly relying on autonomous on-board data analysis. All these applications face many resource constraints. A key requirement is to minimize energy consumption. Several approaches have been developed for estimating the energy consumption of such applications (e.g. [3, 1]) based on measuring actual consumption at run-time for large sets of random inputs. However, this approach has the limitation that it is in general not possible to cover all possible inputs. Using formal techniques offers the potential for inferring safe energy consumption bounds, thus being specially interesting for space exploration and safety-critical systems. We have proposed and implemented a general frame- work for resource usage analysis of Java bytecode [2]. The user defines a set of resource(s) of interest to be tracked and some annotations that describe the cost of some elementary elements of the program for those resources. These values can be constants or, more generally, functions of the input data sizes. The analysis then statically derives an upper bound on the amount of those resources that the program as a whole will consume or provide, also as functions of the input data sizes. This article develops a novel application of the analysis of [2] to inferring safe upper bounds on the energy consumption of Java bytecode applications. We first use a resource model that describes the cost of each bytecode instruction in terms of the joules it consumes. With this resource model, we then generate energy consumption cost relations, which are then used to infer safe upper bounds. How energy consumption for each bytecode instruction is measured is beyond the scope of this paper. Instead, this paper is about how to infer safe energy consumption estimations assuming that those energy consumption costs are provided. For concreteness, we use a simplified version of an existing resource model [1] in which an energy consumption cost for individual Java opcodes is defined.

Navas, Jorge↗

Predicting wind farm operations with machine learning and the P2D‐RANS model: A case study for an AWAKEN site

Abstract The power performance and the wind velocity field of an onshore wind farm are predicted with machine learning models and the pseudo‐2D RANS model, then assessed against SCADA data. The wind farm under investigation is one of the sites involved with the American WAKE experimeNt (AWAKEN). The performed simulations enable predictions of the power capture at the farm and turbine levels while providing insights into the effects on power capture associated with wake interactions that operating upstream turbines induce, as well as the variability caused by atmospheric stability. The machine learning models show improved accuracy compared to the pseudo‐2D RANS model in the predictions of turbine power capture and farm power capture with roughly half the normalized error. The machine learning models also entail lower computational costs upon training. Further, the machine learning models provide predictions of the wind turbulence intensity at the turbine level for different wind and atmospheric conditions with very good accuracy, which is difficult to achieve through RANS modeling. Additionally, farm‐to‐farm interactions are noted, with adverse impacts on power predictions from both models.

17 WIND ENERGY↗

Model-based Hyperparameter Optimization of Convolutional Neural Networks for Information Extraction from Cancer Pathology Reports on HPC

Finding optimal hyperparameters is necessary to identify the best performing deep learning models but the process is costly. In this paper, we applied model-based optimization, also known as Bayesian optimization, using the CANDLE framework implemented on a High-Performance Computing environment. As a use case we selected information extraction from cancer pathology reports using a multi-task convolutional neural network, and hierarchical convolutional attention network to be optimized. We utilized a synthesized text corpus of 8,000 training cases and 2,000 validation cases with four types of clinical task labels including primary cancer site, laterality, behavior, and histological grade. We demonstrated that hyperparameter optimization using the CANDLE framework is a feasible approach with respect to both scalability and clinical task performance.

Yoon, Hong-Jun↗

Economic analysis of model validation for a challenge problem

It is now commonplace for engineers to build mathematical models of the systems they are designing, building, or testing. And, it is nearly universally accepted that phenomenological models of physical systems must be validated prior to use for prediction in consequential scenarios. Yet, there are certain situations in which testing only or no testing and no modeling may be economically viable alternatives to modeling and its associated testing. This paper develops an economic framework within which benefit–cost can be evaluated for modeling and model validation relative to other options. The development is presented in terms of a challenge problem. As a result, we provide a numerical example that quantifies when modeling, calibration, and validation yield higher benefit–cost than a testing only or no modeling and no testing option.

42 ENGINEERING↗

Autonomous hybrid optimization of a SiO 2 plasma etching mechanism

Computational modeling of plasma etching processes at the feature scale relevant to the fabrication of nanometer semiconductor devices is critically dependent on the reaction mechanism representing the physical processes occurring between plasma produced reactant fluxes and the surface, reaction probabilities, yields, rate coefficients, and threshold energies that characterize these processes. The increasing complexity of the structures being fabricated, new materials, and novel gas mixtures increase the complexity of the reaction mechanism used in feature scale models and increase the difficulty in developing the fundamental data required for the mechanism. This challenge is further exacerbated by the fact that acquiring these fundamental data through more complex computational models or experiments is often limited by cost, technical complexity, or inadequate models. In this paper, we discuss a method to automate the selection of fundamental data in a reduced reaction mechanism for feature scale plasma etching of SiO 2 using a fluorocarbon gas mixture by matching predictions of etch profiles to experimental data using a gradient descent (GD)/Nelder–Mead (NM) method hybrid optimization scheme. These methods produce a reaction mechanism that replicates the experimental training data as well as experimental data using related but different etch processes.

36 MATERIALS SCIENCE↗

Two-Step Hyperparameter Optimization Method: Accelerating Hyperparameter Search by Using a Fraction of a Training Dataset

Abstract Hyperparameter optimization (HPO) is an important step in machine learning (ML) model development, but common practices are archaic—primarily relying on manual or grid searches. This is partly because adopting advanced HPO algorithms introduces added complexity to the workflow, leading to longer computation times. This poses a notable challenge to ML applications, as suboptimal hyperparameter selections curtail the potential of ML model performance, ultimately obstructing the full exploitation of ML techniques. In this article, we present a two-step HPO method as a strategic solution to curbing computational demands and wait times, gleaned from practical experiences in applied ML parameterization work. The initial phase involves a preliminary evaluation of hyperparameters on a small subset of the training dataset, followed by a reevaluation of the top-performing candidate models postretraining with the entire training dataset. This two-step HPO method is universally applicable across HPO search algorithms, and we argue it has attractive efficiency gains. As a case study, we present our recent application of the two-step HPO method to the development of neural network emulators for aerosol activation. Although our primary use case is a data-rich limit with many millions of samples, we also find that using up to 0.0025% of the data—a few thousand samples—in the initial step is sufficient to find optimal hyperparameter configurations from much more extensive sampling, achieving up to 135× speedup. The benefits of this method materialize through an assessment of hyperparameters and model performance, revealing the minimal model complexity required to achieve the best performance. The assortment of top-performing models harvested from the HPO process allows us to choose a high-performing model with a low inference cost for efficient use in global climate models (GCMs).

97 MATHEMATICS AND COMPUTING↗

Modeling the Fracture of Ice Sheets on Parallel Computers

The objective of this project was to investigate the complex fracture of ice and understand its role within larger ice sheet simulations and global climate change. This objective was achieved by developing novel physics based models for ice, novel numerical tools to enable the modeling of the physics and by collaboration with the ice community experts. At the present time, ice fracture is not explicitly considered within ice sheet models due in part to large computational costs associated with the accurate modeling of this complex phenomena. However, fracture not only plays an extremely important role in regional behavior but also influences ice dynamics over much larger zones in ways that are currently not well understood. To this end, our research findings through this project offers significant advancement to the field and closes a large gap of knowledge in understanding and modeling the fracture of ice sheets in the polar regions. Thus, we believe that our objective has been achieved and our research accomplishments are significant. This is corroborated through a set of published papers, posters and presentations at technical conferences in the field. In particular significant progress has been made in the mechanics of ice, fracture of ice sheets and ice shelves in polar regions and sophisticated numerical methods that enable the solution of the physics in an efficient way.

97 MATHEMATICS AND COMPUTING↗

Porting the WAVEWATCH III (v6.07) wave action source terms to GPU

Abstract. Surface gravity waves play a critical role in several processes, including mixing, coastal inundation, and surface fluxes. Despite the growing literature on the importance of ocean surface waves, wind–wave processes have traditionally been excluded from Earth system models (ESMs) due to the high computational costs of running spectral wave models. The development of the Next Generation Ocean Model for the DOE’s (Department of Energy) E3SM (Energy Exascale Earth System Model) Project partly focuses on the inclusion of a wave model, WAVEWATCH III (WW3), into E3SM. WW3, which was originally developed for operational wave forecasting, needs to be computationally less expensive before it can be integrated into ESMs. To accomplish this, we take advantage of heterogeneous architectures at DOE leadership computing facilities and the increasing computing power of general-purpose graphics processing units (GPUs). This paper identifies the wave action source terms, W3SRCEMD, as the most computationally intensive module in WW3 and then accelerates them via GPU. Our experiments on two computing platforms, Kodiak (P100 GPU and Intel(R) Xeon(R) central processing unit, CPU, E5-2695 v4) and Summit (V100 GPU and IBM POWER9 CPU) show respective average speedups of 2× and 4× when mapping one Message Passing Interface (MPI) per GPU. An average speedup of 1.4× was achieved using all 42 CPU cores and 6 GPUs on a Summit node (with 7 MPI ranks per GPU). However, the GPU speedup over the 42 CPU cores remains relatively unchanged (∼ 1.3×) even when using 4 MPI ranks per GPU (24 ranks in total) and 3 MPI ranks per GPU (18 ranks in total). This corresponds to a 35 %–40 % decrease in both simulation time and usage of resources. Due to too many local scalars and arrays in the W3SRCEMD subroutine and the huge WW3 memory requirement, GPU performance is currently limited by the data transfer bandwidth between the CPU and the GPU. Ideally, OpenACC routine directives could be used to further improve performance. However, W3SRCEMD would require significant code refactoring to make this possible. We also discuss how the trade-off between the occupancy, register, and latency affects the GPU performance of WW3.

58 GEOSCIENCES↗