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At least 595 records · Page 33

Stress Recovery and Error Estimation for 3-D Shell Structures

The C1-continuous stress fields obtained from finite element analyses are in general lower- order accurate than are the corresponding displacement fields. Much effort has focussed on increasing their accuracy and/or their continuity, both for improved stress prediction and especially error estimation. A previous project developed a penalized, discrete least squares variational procedure that increases the accuracy and continuity of the stress field. The variational problem is solved by a post-processing, 'finite-element-type' analysis to recover a smooth, more accurate, C1-continuous stress field given the 'raw' finite element stresses. This analysis has been named the SEA/PDLS. The recovered stress field can be used in a posteriori error estimators, such as the Zienkiewicz-Zhu error estimator or equilibrium error estimators. The procedure was well-developed for the two-dimensional (plane) case involving low-order finite elements. It has been demonstrated that, if optimal finite element stresses are used for the post-processing, the recovered stress field is globally superconvergent. Extension of this work to three dimensional solids is straightforward. Attachment: Stress recovery and error estimation for shell structure (abstract only). A 4-node, shear-deformable flat shell element developed via explicit Kirchhoff constraints (abstract only). A novel four-node quadrilateral smoothing element for stress enhancement and error estimation (abstract only).

Riggs, H. R.↗

Genomic clocks and evolutionary timescales

For decades, molecular clocks have helped to illuminate the evolutionary timescale of life, but now genomic data pose a challenge for time estimation methods. It is unclear how to integrate data from many genes, each potentially evolving under a different model of substitution and at a different rate. Current methods can be grouped by the way the data are handled (genes considered separately or combined into a 'supergene') and the way gene-specific rate models are applied (global versus local clock). There are advantages and disadvantages to each of these approaches, and the optimal method has not yet emerged. Fortunately, time estimates inferred using many genes or proteins have greater precision and appear to be robust to different approaches.

Evolution, Molecular↗

A Simple GPU-Accelerated Two-Dimensional MUSCL-Hancock Solver for Ideal Magnetohydrodynamics

We describe our experience using NVIDIA's CUDA (Compute Unified Device Architecture) C programming environment to implement a two-dimensional second-order MUSCL-Hancock ideal magnetohydrodynamics (MHD) solver on a GTX 480 Graphics Processing Unit (GPU). Taking a simple approach in which the MHD variables are stored exclusively in the global memory of the GTX 480 and accessed in a cache-friendly manner (without further optimizing memory access by, for example, staging data in the GPU's faster shared memory), we achieved a maximum speed-up of approx. = 126 for a sq 1024 grid relative to the sequential C code running on a single Intel Nehalem (2.8 GHz) core. This speedup is consistent with simple estimates based on the known floating point performance, memory throughput and parallel processing capacity of the GTX 480.

graphics processing units↗

Multigraph-based Routing in Delay Tolerant Networks: An Alternative to Contact Graph Routing

Satellites are leaving the realms of niche use, extending our day-to-day networked infrastructure to space – thereby forcing a generalization of network architectures. The Delay Tolerant Networking (DTN) protocol is being developed to give rise to this new Solar System Internet. Predominantly, DTNs in space use globally-distributed contact tables to compute routes. In this paper, we propose and analyze a novel optimized approach for route computations that improves upon traditional approaches. As the general DTN will always include some scheduled links, our new algorithm enables greater scalability and practicality of DTN routing. These contact tables include windows when two nodes can communicate and were classically organized into a contact graph, where the vertices represent contact opportunities. Because the complexity of a contact graph grows with the number of contacts, pathfinding on it does not scale. A new structure using multigraphs with the same data is proposed. We show that a multigraph-based approach, which we call contact multigraph routing, exhibits performance superior to routing based on contact graphs, allowing greater scaling to schedule-based routing. In this paper, the multigraph-based algorithm is detailed and a proof is included showing it outperforms the previous algorithm given the same input. Pseudocode is included, as are simulation results. We conclude with suggested future work.

Delay Tolerant Networking↗

Evaluating Lunar Water Processing System Model Configurations for Small Scale Oxygen and Hydrogen Production Within JAXA'S ISRU Technology

Introduction: In-Situ Resource Utilization (ISRU) refers to novel methods of extracting and processing local resources for use in life support and propulsion systems, reducing or eliminating the required consumables to be transferred from Earth. Current estimates of water-ice availability embedded in regolith within the Moon’s permanently shadowed regions (PSR’s) range between 1-5% by weight. However, the composition and characteristics of the “wet” regolith is unknown. Alternate ISRU excavation techniques and Concept of Operations (ConOps) must be explored to optimize surface system operations based on these factors. To assess the feasibility of different ISRU subsystem technologies and compare system architecture configurations, an interchangeable system model was generated to incorporate technologies spanning excavation of raw materials to storage of products and determine optimal arrangement of total system processing needs. Total Mass, Volume, and Power (M/V/P) requirements were computed for 168 design iterations of this water processing plant. System Model: In FY24, the System Engineering and Integration (SE&I) ISRU Modeling and Analysis (SIMA) team developed a lunar water processing system model using the Mission Analysis and Integration Tool (MAIT) to estimate the M/V/P for ISRU subsystems operating under a wide range of Hydrogen (H2) and Oxygen (O2) production targets for the Space Technology Mission Directorate (STMD) [1]. Based on Japan Aerospace Exploration Agency’s (JAXA) surface operational requirements, this system architecture was modified to include the ability to excavate consolidated icy regolith (versus granular ice excavation using Kennedy Space Center’s (KSC) ISRU Pilot Excavator, IPEx) and explore the feasibility of processing the lunar water both inside and outside of the PSR. For the consolidated icy regolith case study, excavation was performed via a mobility transport chassis outfitted with The Regolith Ice Drill for Exploring New Terrain (TRIDENT) for drilling [2] and the Cold Operable Lunar Deployable Arm (COLDArm) [3] for regolith transfer. The system model determines the required rover and payload. M/V/P to handle the required regolith processing rates. The regolith is then sorted and heated to sublimate the ice (via an auger dryer). The exiting high temperature, low pressure vapor is cleaned of volatiles (via cold trap) and electrolyzed to produce H2 and O2. These products are then dried, liquified with 20 K and 90 K cryocoolers (for H2 and O2, respectively), and stored in cylindrical tanks. Study Goals: Due to the different ConOps options of regolith transport to the ridge for processing versus processing it directly inside the PSR, as well as the unknown regolith/water-ice composition, new excavation techniques and their power configurations are being evaluated within a ISRU system architecture for production targets less than NASA’s pilot plant (1 mT). This analysis investigates the feasibility of numerous excavation techniques, power architectures, and logistical operations and determines an optimal system configuration with regards to M/V/P. It aims to investigate which parameters, both locally and globally, have the greatest effect on each subsystem within the plant. This can be used to identify the most critical components of the plant, and guide future decisions on allocating funding for research and development. The results from this study may provide subsystem developers with appropriate interfaces with excavation subsystems and downstream processes, and assessing the overall feasibility of each excavation technique, power architecture, and logistical timeframe. References: [1] Carlson, A. et. al. (2024) ICES. [2] Zacny, K., et. al. (2024) “ASCE Earth and Space”. [3] McCormick, R., et. Al. (2024) IEEE Xplore.

ISRU↗

Martian sample sites: Examples based on a global geologic perspective

Ten areas were selected that each include several rock units of varying lithology and age. These areas were chosen to optimize the geologic and chronologic data return from Mars. Geologic mapping and stratigraphic studies identify stratigraphic ages, rock types, and information on Martian geologic history that samples of a given site may yield. Volcanic rocks occur over much of the planet and in virtually all stratigraphic positions, and they are amenable to radioisotopic dating. Therefore, a reasonable and essential goal for a sample return mission is to return datable rocks from widely varying strata. Generally, about three or four major geologic units can be sampled at any of the given sites, most of which can probably be dated. The Mars Observer mission will aid greatly in interpreting lithology and defining contacts at the high resolution required to actually pinpoint good sample acquisition sites within these areas.

Scott, D. H.↗

Space and Terrestrial Power System Integration Optimization Code BRMAPS for Gas Turbine Space Power Plants With Nuclear Reactor Heat Sources

In view of the difficult times the US and global economies are experiencing today, funds for the development of advanced fission reactors nuclear power systems for space propulsion and planetary surface applications are currently not available. However, according to the Energy Policy Act of 2005 the U.S. needs to invest in developing fission reactor technology for ground based terrestrial power plants. Such plants would make a significant contribution toward drastic reduction of worldwide greenhouse gas emissions and associated global warming. To accomplish this goal the Next Generation Nuclear Plant Project (NGNP) has been established by DOE under the Generation IV Nuclear Systems Initiative. Idaho National Laboratory (INL) was designated as the lead in the development of VHTR (Very High Temperature Reactor) and HTGR (High Temperature Gas Reactor) technology to be integrated with MMW (multi-megawatt) helium gas turbine driven electric power AC generators. However, the advantages of transmitting power in high voltage DC form over large distances are also explored in the seminar lecture series. As an attractive alternate heat source the Liquid Fluoride Reactor (LFR), pioneered at ORNL (Oak Ridge National Laboratory) in the mid 1960's, would offer much higher energy yields than current nuclear plants by using an inherently safe energy conversion scheme based on the Thorium --> U233 fuel cycle and a fission process with a negative temperature coefficient of reactivity. The power plants are to be sized to meet electric power demand during peak periods and also for providing thermal energy for hydrogen (H2) production during "off peak" periods. This approach will both supply electric power by using environmentally clean nuclear heat which does not generate green house gases, and also provide a clean fuel H2 for the future, when, due to increased global demand and the decline in discovering new deposits, our supply of liquid fossil fuels will have been used up. This is expected within the next 30 to 50 years, as predicted by the Hubbert model and confirmed by other global energy consumption prognoses. Having invested national resources into the development of NGNP, the technology and experience accumulated during the project needs to be documented clearly and in sufficient detail for young engineers coming on-board at both DOE and NASA to acquire it. Hands on training on reactor operation, test rigs of turbomachinery, and heat exchanger components, as well as computational tools will be needed. Senior scientist/engineers involved with the development of NGNP should also be encouraged to participate as lecturers, instructors, or adjunct professors at local universities having engineering (mechanical, electrical, nuclear/chemical, and/or materials) as one of their fields of study.

Juhasz, Albert J.↗

SpF: Enabling Petascale Performance for Pseudospectral Dynamo Models

Pseudospectral (PS) methods possess a number of characteristics (e.g., efficiency, accuracy, natural boundary conditions) that are extremely desirable for dynamo models. Unfortunately, dynamo models based upon PS methods face a number of daunting challenges, which include exposing additional parallelism, leveraging hardware accelerators, exploiting hybrid parallelism, and improving the scalability of global memory transposes. Although these issues are a concern for most models, solutions for PS methods tend to require far more pervasive changes to underlying data and control structures. Further, improvements in performance in one model are difficult to transfer to other models, resulting in significant duplication of effort across the research community.We have developed an extensible software framework for pseudospectral methods called SpF that is intended to enable extreme scalability and optimal performance. High-level abstractions provided by SpF unburden applications of the responsibility of managing domain decomposition and load balance while reducing the changes in code required to adapt to new computing architectures. The key design concept in SpF is that each phase of the numerical calculation is partitioned into disjoint numerical kernels that can be performed entirely in-processor. The granularity of domain-decomposition provided by SpF is only constrained by the data-locality requirements of these kernels. SpF builds on top of optimized vendor libraries for common numerical operations such as transforms, matrix solvers, etc., but can also be configured to use open source alternatives for portability. SpF includes several alternative schemes for global data redistribution and is expected to serve as an ideal testbed for further research into optimal approaches for different network architectures.In this presentation, we will describe the basic architecture of SpF as well as preliminary performance data and experience with adapting legacy dynamo codes. We will conclude with a discussion of planned extensions to SpF that will provide pseudospectral applications with additional flexibility with regard to time integration, linear solvers, and discretization in the radial direction.

Pseudospectral (PS)↗

Multilevel algorithms for nonlinear optimization

Multidisciplinary design optimization (MDO) gives rise to nonlinear optimization problems characterized by a large number of constraints that naturally occur in blocks. We propose a class of multilevel optimization methods motivated by the structure and number of constraints and by the expense of the derivative computations for MDO. The algorithms are an extension to the nonlinear programming problem of the successful class of local Brown-Brent algorithms for nonlinear equations. Our extensions allow the user to partition constraints into arbitrary blocks to fit the application, and they separately process each block and the objective function, restricted to certain subspaces. The methods use trust regions as a globalization strategy, and they have been shown to be globally convergent under reasonable assumptions. The multilevel algorithms can be applied to all classes of MDO formulations. Multilevel algorithms for solving nonlinear systems of equations are a special case of the multilevel optimization methods. In this case, they can be viewed as a trust-region globalization of the Brown-Brent class.

Alexandrov, Natalia↗

Using SpF to Achieve Petascale for Legacy Pseudospectral Applications

Pseudospectral (PS) methods possess a number of characteristics (e.g., efficiency, accuracy, natural boundary conditions) that are extremely desirable for dynamo models. Unfortunately, dynamo models based upon PS methods face a number of daunting challenges, which include exposing additional parallelism, leveraging hardware accelerators, exploiting hybrid parallelism, and improving the scalability of global memory transposes. Although these issues are a concern for most models, solutions for PS methods tend to require far more pervasive changes to underlying data and control structures. Further, improvements in performance in one model are difficult to transfer to other models, resulting in significant duplication of effort across the research community. We have developed an extensible software framework for pseudospectral methods called SpF that is intended to enable extreme scalability and optimal performance. Highlevel abstractions provided by SpF unburden applications of the responsibility of managing domain decomposition and load balance while reducing the changes in code required to adapt to new computing architectures. The key design concept in SpF is that each phase of the numerical calculation is partitioned into disjoint numerical kernels that can be performed entirely inprocessor. The granularity of domain decomposition provided by SpF is only constrained by the datalocality requirements of these kernels. SpF builds on top of optimized vendor libraries for common numerical operations such as transforms, matrix solvers, etc., but can also be configured to use open source alternatives for portability. SpF includes several alternative schemes for global data redistribution and is expected to serve as an ideal testbed for further research into optimal approaches for different network architectures. In this presentation, we will describe our experience in porting legacy pseudospectral models, MoSST and DYNAMO, to use SpF as well as present preliminary performance results provided by the improved scalability.

DYNAMO↗

Consequences of Different Air-Sea Feedbacks on Ocean Using MITgcm and MERRA-2 Forcing: Implications for Coupled Data Assimilation Systems

Ocean surface flux estimates from atmospheric and oceanic reanalyses contain errors that compensate for inaccuracies in the respective atmosphere and ocean models used to generate these reanalyses. A conundrum for climate studies is the discrepancy between surface fluxes that minimize model-data differences for an atmosphere-only model vs surface fluxes that minimize model-data differences for an ocean model. As a first step towards a consistent coupled ocean-atmosphere data-assimilation (DA) system, we compare surface net heat flux from a state-of-the-art atmospheric reanalysis, the Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2), to net heat flux from a state-of-the-art ocean state estimate, the Estimating the Circulation and Climate of the Ocean Version 4 (ECCO-v4). The possible impacts of the MERRA-2 and ECCO-v4 air-sea net heat flux difference in a coupled DA system were assessed using a set of experiments designed to imitate different “flavors” of a coupled DA system in an ocean-only setup. This was done by forcing the ECCO-v4 underlying ocean model - the Massachusetts Institute of Technology general circulation model (MITgcm) - with different sets of MERRA-2 fields and utilizing different forcing methods. By doing so we were able to turn off different air-sea feedbacks which, in a coupled DA setup, are partially muted by the constraining observations. The set of experiments, therefore, represents a range of active feedbacks in different “flavors” of coupled data-assimilation systems. For the period 1992–2011, MERRA-2 net heat flux has a global mean difference of -4.9 Wm(exp -2) relative to ECCO-v4. When MERRA-2 surface fields are used to force MITgcm, imbalances in the energy and the hydrological cycles of MERRA-2, which are directly related to the fact that MERRA-2 was created without an interactive ocean, propagate to the ocean. The experiment in which MITgcm is forced with MERRA-2 fluxes (MERRA-2-flux experiment) results in a 2.5°C global mean Sea Surface Temperature (SST) cooling, a 1m reduction in global mean sea level, and other drastic changes in the large scale ocean circulation relative to those resulting when the MITgcm is forced with the optimized ECCO-v4 net heat flux (the ECCO-v4 experiment itself). When MITgcm is forced with MERRA-2 state variables (MERRA-2-state experiment), the SST is somewhat restored to the observed SST, but the errors are shifted to the water cycle, resulting in a global mean sea level increase of 2.7 m. To further explore the pros and cons of these two approaches, we introduce a new intermediate forcing method in which the ocean is forced with turbulent fluxes but has a long wave feedback. This method, unlike MERRA-2 state, preserves the MERRA-2 water and salinity cycles, and it reduces the SST error compared to the MERRA-2-flux experiment, but the SST is not as good as that in the MERRA-2-state experiment. Our results have implications for ocean-model forcing recipes and clearly reveal the undesirable consequences of limiting the feedbacks in either these types of experiments or in coupled DA.

Ehud Strobach↗

Refining water and carbon fluxes modeling in terrestrial ecosystems via plant hydraulics integration

Plant hydraulics substantially affects terrestrial water and carbon cycles by modulating water transport and carbon assimilation. Despite improved drought simulations in certain ecosystems through their integration into land surface models (LSMs), the broader application of plant hydraulics in diverse ecosystems and hydroclimates is still underexplored. Here, in this study, we implemented the recently developed Noah-Multiparameterization Land Surface Model (Noah-MP LSM) equipped with a plant hydraulics scheme (Noah-MP-PHS) across 40 FLUXNET sites globally. Employing the Shuffled Complex Evolution-University of Arizona (SCE-UA) auto-calibration algorithm, we optimized key plant hydraulics parameters for these sites spanning eight vegetation types in both arid and humid climates. Noah-MP-PHS significantly improves the simulation of evapotranspiration (ET) and gross primary production (GPP) by better representing atmospheric and soil water stress compared to traditional soil hydraulic schemes (SHSs, such as Noah and CLM). The augmented Noah-MP-PHS models reduce surface flux overestimation and underestimation, exhibiting an average increase of 0.14 and 0.15 in Kling-Gupta Efficiency (KGE) compared to Noah and CLM, respectively. The explicit consideration of plant capacitance in PHS reveals substantial deep-layer and nocturnal root water uptake especially under dry conditions. We employed eXplainable Machine learning (XML) to quantify the model’s relative sensitivity to newly introduced leaf-, stem and root-related parameters in PHS. The sensitivity analysis reveals a rise in root parameter importance and a decline in leaf and stem parameters as conditions shift from humid to arid. These findings indicate that as aridity states vary, the most influential parameters affecting surface fluxes variation may change in parameter calibration for PHS applications. Our findings underscore the importance of incorporating plant hydraulics into LSMs to enhance simulations of terrestrial water and carbon dynamics. These findings are crucial for understanding ecosystem responses to global climate changes and guide the broader application of PHS at larger scales.

54 ENVIRONMENTAL SCIENCES↗

Optimal Twirling Depth for Classical Shadows in the Presence of Noise

The classical shadows protocol is an efficient strategy for estimating properties of an unknown state p using a small number of state copies and measurements. In its original form, it involves twirling the state with unitaries from some ensemble and measuring the twirled state in a fixed basis. It was recently shown that for computing local properties, optimal sample complexity (copies of the state required) is remarkably achieved for unitaries drawn from shallow depth circuits composed of local entangling gates, as opposed to purely local (zero depth) or global twirling (infinite depth) ensembles. Here, we consider the sample complexity as a function of the depth of the circuit, in the presence of noise. We find that this noise has important implications for determining the optimal twirling ensemble. Under fairly general conditions, we (i) show that any single-site noise can be accounted for using a depolarizing noise channel with an appropriate damping parameter f, (ii) compute thresholds f th at which optimal twirling reduces to local twirling for Pauli operators, (iii) nth order Renyi entropies (n ≥2), and (iv) provide a meaningful upper bound t max on the optimal circuit depth for any finite noise strength f, which applies to observables and entanglement entropy measurements. In conclusion, these thresholds strongly constrain the search for optimal strategies to implement shadow tomography and are easily tailored to the experimental system at hand.

97 MATHEMATICS AND COMPUTING↗

Scale-Bridging Optimization Framework for Desalination Integrated Produced Water Networks

In this work, we develop a Pyomo-based non-linear optimization strategy that includes rigorous MVR models. The detailed desalination unit is integrated into the multiperiod produced water network problem using the trust region filter (TRF) method. TRF decomposes the integrated problem into a master problem consisting of the network variables and a simplified surrogate model for the detailed desalination unit. The surrogate is updated using zero and first-order corrections from the optimal solution of the detailed models at every iteration. This framework allows us to co-optimize the design of the desalination units and operating policy for the multiperiod network. A common design is ensured across all periods using global capacity constraints. We validate the solution obtained using the TRF method by solving the full integrated problem for small network instances and show our results on real case studies on produced water networks from the Permian and Appalachian basins. In this work, we describe our TRF formulation, give details on our implementation in Pyomo, and analyze the results obtained by solving the optimization problem using IPOPT. We also present a discussion on the computational efficiency and scaling using the TRF approach against a full-scale integration of the rigorous models within the water network.

Naik, Sakshi↗

Performance Results on CPU/GPU Exascale Architectures for OMEGA: The Ocean Model for E3SM Global Applications

The US Department of Energy (DOE) conducts climate simulations on some of the world’s largest supercomputers. These exascale machines use heterogeneous architectures with both CPUs and GPUs, and scientific codes must adapt to make full use of this computing power. Los Alamos National Lab is developing Omega: The Ocean Model for E3SM Global Applications, which is specifically designed for modern exascale computers. It uses external libraries that have been optimized for a variety of architectures to run on different supercomputers. Omega is an unstructured-mesh ocean model based on TRiSK numerical methods. It will be the new ocean component of the DOE’s Energy Exascale Earth System Model (E3SM). The algorithms in Omega follow those of the current ocean component, MPAS-Ocean, but it will be written in C++ rather than Fortran to take advantage of the Kokkos performance portability library. Omega spatial operators are written as Kokkos kernels to run efficiently on both CPUs and GPUs. Work on Omega began in 2023 with a new C++ framework for unstructured mesh partitioning, halo exchanges, parallel IO, and Kokkos interfaces. The current version, Omega-0, is being developed to solve the shallow water equations and at present includes all of the tendency terms but not time stepping. Here we share the results of Omega-0 verification and performance testing. Verification includes unit tests implemented with CTest as well as convergence tests in Polaris, an in-house python package with a large suite of test problems. Performance tests compare simulations conducted on CPUs versus GPUs and across different architectures: tests are run on Frontier, which has AMD “Optimized 3rd Gen EPYC” CPUs and AMD MI250X GPUs, as well as Perlmutter, which is composed of AMD EPYC 7763 CPUs and NVIDIA A100 GPUs.

58 GEOSCIENCES↗

The modification and application of Kuo's parameterization of cumulus convection in middle latitudes

An evaluation to reveal physical insight into the involved mechanisms through a combination of the large scale heat and moisture budgets and formulation of the latent heat released was performed. To improve upon the treatment of the interaction of deep convection with the environment, modifications consisting of considerations of the large scale moisture supply and of the vertical transport of moisture and of dry static energy inside the cloud are made. Also, a two layer cloud ensemble model is combined with the modified scheme. An examination of the modified scheme is performed by combining the large scale heat and moisture budgets and the modified formulation of the latent heat released. The modified parameterization procedures are compared with the original scheme, and the results of tests of both schemes are discussed. A variational optimization scheme is developed to analyze the wind field such that the integrated continuity equation and the global boundary condition are satisfied.

Liang, W. J.↗

Global analysis of a buck regulator

Sufficient conditions for global stability of a buck regulator using a discrete control law are found. The method of paired systems and Liapunov functions are used to establish global stability and to study the convergence of the regulator. A heuristic argument is given that the optimal switching curves associated with the paired continuous systems approximate the optimal switching curves of the discrete systems.

Edwards, D. B.↗

Space shuttle propulsion parameter estimation using optimal estimation techniques

The first twelve system state variables are presented with the necessary mathematical developments for incorporating them into the filter/smoother algorithm. Other state variables, i.e., aerodynamic coefficients can be easily incorporated into the estimation algorithm, representing uncertain parameters, but for initial checkout purposes are treated as known quantities. An approach for incorporating the NASA propulsion predictive model results into the optimal estimation algorithm was identified. This approach utilizes numerical derivatives and nominal predictions within the algorithm with global iterations of the algorithm. The iterative process is terminated when the quality of the estimates provided no longer significantly improves.

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