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At least 703 records · Page 39

Optimal expression evaluation for data parallel architectures

A data parallel machine represents an array or other composite data structure by allocating one processor per data item. A pointwise operation can be performed between two such arrays in unit time, provided their corresponding elements are allocated in the same processors. If the arrays are not aligned in this fashion, the cost of moving one or both of them is part of the cost of operation. The choice of where to perform the operation then affects this cost. If an expression with several operands is to be evaluated, there may be many choices of where to perform the intermediate operations. An efficient algorithm is given to find the minimum cost way to evaluate an expression, for several different data parallel architectures. The algorithm applies to any architecture in which the metric describing the cost of moving an array has a property called robustness. This encompasses most of the common data parallel communication architectures, including meshes of arbitrary dimension and hypercubes.

Gilbert, J. R.↗

Optimal expression evaluation for data parallel architectures

A data parallel machine represents an array or other composits data structure by allocating one processor per data item. A pointwise operation can be performed between two such arrays in unit time, provided their corresponding elements are allocated in the same processors. If the arrays are not aligned in this fashion, the cost of moving one or both of them is part of the cost of operation. The choice of where to perform the operation then affects this cost. If an expression with several operands is to be evaluated, there may be many choices of where to perform the intermediate operations. An efficient algorithm is given to find the minimum cost way to evaluate an expression, for several different data parallel architectures. The algorithm applies to any architecture in which the metric describing the cost of moving an array has a property called robustness. This encompasses most of the common data parallel communication architectures, including meshes of arbitrary dimension and hypercubes.

Gilbert, John R.↗

Reoptimization of the Ohio State University radio telescope for the NASA SETI program

The Ohio State University radiotelescope is the second largest radio telescope in the United States, equivalent in collecting area (2200 sq m) to a 175-foot diameter dish. For the past 17 years it has been dedicated fulltime to SETI, and it is now being considered by NASA for selection as the NASA dedicated SETI observatory. The telescope was originally designed, optimized, and used as an all-sky survey instrument to create detailed maps and catalogs of the radio astronomical sky. For the SETI Program, some re-optimizations are required. Right ascension tracking for one to two hours (depending on the declination) was achieved by exploiting the exceptionally large f/d ratio of the telescope. The feed horns were mounted on a large moveable, rubber-tired cart which is capable of a total motion of 100 feet. The cart can carry many horns, making possible simultaneous observations at many sky directions and frequency ranges. Rapid declination movement and its automation will be accomplished through simplification of the existing braking system, and replacement of older mechanical sensors by modern electronic inclinometers and proximity detectors. Circular polarization capability will be achieved through an increase in the number of horizontal wires in the reflector mesh, or addition of a finer mesh on top of the existing one. The telescope has great inherent resistance to radio frequency interference, due to its ground-mounted feed horns and shielding by the large reflectors of half the horizon. The resistance was recently increased further by installation of rolled-edges and diffraction-trapping gratings on the feed horns. If further shielding should be required, inexpensive side shields could be added to the telescope, making it a totally closed structure on all four sides.

Dixon, R. S.↗

Optimal expression evaluation for data parallel architectures

A data parallel machine represents an array or other composite data structure by allocating one processor (at least conceptually) per data item. A pointwise operation can be performed between two such arrays in unit time, provided their corresponding elements are allocated in the same processors. If the arrays are not aligned in this fashion, the cost of moving one or both of them is part of the cost of the operation. The choice of where to perform the operation then affects this cost. If an expression with several operands is to be evaluated, there may be many choices of where to perform the intermediate operations. An efficient algorithm is given to find the minimum-cost way to evaluate an expression, for several different data parallel architectures. This algorithm applies to any architecture in which the metric describing the cost of moving an array is robust. This encompasses most of the common data parallel communication architectures, including meshes of arbitrary dimension and hypercubes. Remarks are made on several variations of the problem, some of which are solved and some of which remain open.

Gilbert, John R.↗

A High-Quality Workflow for Multi-Resolution Scientific Data Reduction and Visualization

Multi-resolution methods such as Adaptive Mesh Refinement (AMR) can enhance storage efficiency for HPC applications generating vast volumes of data. However, their applicability is limited and cannot be universally deployed across all applications. Furthermore, integrating lossy compression with multi-resolution techniques to further boost storage efficiency encounters significant barriers. To this end, we introduce an innovative workflow that facilitates high-quality multi-resolution data compression for both uniform and AMR simulations. Initially, to extend the usability of multi-resolution techniques, our workflow employs a compression-oriented Region of Interest (ROI) extraction method, transforming uniform data into a multi-resolution format. Subsequently, to bridge the gap between multi-resolution techniques and lossy compressors, we optimize three distinct compressors, ensuring their optimal performance on multi-resolution data. These optimizations can improve the compression ratio of SOTA approaches by up to 3.3× under the same data quality loss. Lastly, we incorporate an advanced uncertainty visualization method into our workflow to understand the potential impacts of lossy compression. Experimental evaluation demonstrates that our workflow achieves significant compression quality improvements.

Wang, Daoce↗

Kriging-Based Inverse Uncertainty Quantification of BISON Fission Gas Release Model

Nuclear reactor fuel performance analysis studies the thermo-mechanical behavior of fuel rods and verify their compliance with safety criteria under both normal operation and accidental conditions. One of the major concerns in fuel performance analysis is the behavior of the fission gases xenon and krypton in uranium dioxide fuel, which significantly affect the thermo-mechanical performance of the nuclear fuel rods employed in current LWRs. Previously, the modeling of fission gas release (FGR) in nuclear fuel performance codes have been relying on empirical models which are not applicable beyond their range of calibration. Recently a more efficient and flexible physics-based FGR and swelling model that can describe a wider range of reactor operation conditions have been implemented in fuel performance code BISON. In this work, we performed Bayesian calibration to inversely quantify the uncertainties associated with the 5 tuning parameters in BISON FGR model, based on the time-dependent FGR measurement data from Riso-AN3 benchmark. It takes around 1 hour and 40 minutes for BISON to simulate the Riso-AN3 benchmark with a moderate mesh size using 32 processors. As hundreds of thousands of BISON simulations are needed during Markov Chain Monte Carlo (MCMC) sampling, running BISON directly is not a viable solution. Therefore we propose to use Kriging-based metamodels to replace BISON during MCMC sampling. Surrogate model is an approximation of the input/output relation of a computer code/model. It is also called metamodel, response surface, emulator. Surrogate models usually take much less computational time than the original model (like BISON) while maintaining the input/output relation of the original model to a desirable accuracy. Constructing the metamodels normally requires small number of executions of the original model. Once validated, metamodels can be used to perform uncertainty and sensitivity analysis, Bayesian calibration, optimization, etc.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

User-oriented Improvements in the MOOSE Framework in Support of Multiphysics Simulation

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to this ubiquity, improvements to the framework in support of modeling and simulation goals are critical to the program. These improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work transcribed in this report was conducted in direct support of the simulation tools and has already been deployed or will be deployed in the coming months. The capabilities were implemented in the same order as they are covered in this report: chainable execution objects or executors, support for transfers between same-level applications in a coupling scheme, support for boundary/subdomain restricted transfers, support for transfers between applications with different coordinate or unit systems, support for MOOSE applications in the NEAMS Workbench, deployment of the MOOSE application of the Idaho National Laboratory (INL) high-performance computing (HPC) OnDemand platform, the addition of a triangular meshing library in libMesh, and increased support of face variables.

97 MATHEMATICS AND COMPUTING↗

Flexible Microsensor Array for the Monitoring and Control of Plant Growth System

Testing for plant experiments in space has begun to explore active nutrient delivery concepts in which water and nutrients are replenished on a continuous basis for long-term growth. The goal of this study is to develop a novel microsensor array to provide information on the dissolved oxygen environment in the plant root zone for the optimum control of hydroponics and solid substrate plant cultivation systems in the space environment. Miniaturized polarographic dissolved oxygen sensors have been designed and fabricated on a flexible Kapton (trademark) (polyimide) substrate. Two capabilities of the new microsensor array were explored. First, measurements of dissolved oxygen in the plant root zone in hydroponics and solid substrate culture systems were made. The microsensor array was fabricated on a flexible substrate, and then cut out into a mesh type to make a suspended array that could be placed either in a hydroponics system or in a solid substrate cultivation system to measure the oxygen environments. Second, the in situ self-diagnostic and self-calibration capability (two-point for oxygen) was adopted by dynamically controlling the microenvironment in close proximity to the microsensors. With a built-in generating electrode that surrounds the microsensor, two kinds of microenvironments (oxygen-saturated and oxygen-depleted phases) could be established by water electrolysis depending on the polarity of the generating electrode. The unique features of the new microsensor array (small size, multiple sensors, flexibility and self-diagnosis) can have exceptional benefits for the study and optimization of plant cultivation systems in both terrestrial and microgravity environments. The in situ self-diagnostic and self-calibration features of the microsensor array will also enable continuous verification of the operability during entire plant growth cycles. This concept of automated control of a novel chemical monitoring system will minimize crew time required for maintenance, as well as reduce volume, mass, and power consumption by eliminating bulky diagnosis systems including calibrant (fluid and gas) reservoir and flow system hardware.

Kim, Chang-Soo↗

Adaptive Numerical Algorithms in Space Weather Modeling

Space weather describes the various processes in the Sun-Earth system that present danger to human health and technology. The goal of space weather forecasting is to provide an opportunity to mitigate these negative effects. Physics-based space weather modeling is characterized by disparate temporal and spatial scales as well as by different physics in different domains. A multi-physics system can be modeled by a software framework comprising of several components. Each component corresponds to a physics domain, and each component is represented by one or more numerical models. The publicly available Space Weather Modeling Framework (SWMF) can execute and couple together several components distributed over a parallel machine in a flexible and efficient manner. The framework also allows resolving disparate spatial and temporal scales with independent spatial and temporal discretizations in the various models. Several of the computationally most expensive domains of the framework are modeled by the Block-Adaptive Tree Solar wind Roe Upwind Scheme (BATS-R-US) code that can solve various forms of the magnetohydrodynamics (MHD) equations, including Hall, semi-relativistic, multi-species and multi-fluid MHD, anisotropic pressure, radiative transport and heat conduction. Modeling disparate scales within BATS-R-US is achieved by a block-adaptive mesh both in Cartesian and generalized coordinates. Most recently we have created a new core for BATS-R-US: the Block-Adaptive Tree Library (BATL) that provides a general toolkit for creating, load balancing and message passing in a 1, 2 or 3 dimensional block-adaptive grid. We describe the algorithms of BATL and demonstrate its efficiency and scaling properties for various problems. BATS-R-US uses several time-integration schemes to address multiple time-scales: explicit time stepping with fixed or local time steps, partially steady-state evolution, point-implicit, semi-implicit, explicit/implicit, and fully implicit numerical schemes. Depending on the application, we find that different time stepping methods are optimal. Several of the time integration schemes exploit the block-based granularity of the grid structure. The framework and the adaptive algorithms enable physics based space weather modeling and even forecasting.

Toth, Gabor↗

Incremental triangulation by way of edge swapping and local optimization

This document is intended to serve as an installation, usage, and basic theory guide for the two dimensional triangulation software 'HARLEY' written for the Silicon Graphics IRIS workstation. This code consists of an incremental triangulation algorithm based on point insertion and local edge swapping. Using this basic strategy, several types of triangulations can be produced depending on user selected options. For example, local edge swapping criteria can be chosen which minimizes the maximum interior angle (a MinMax triangulation) or which maximizes the minimum interior angle (a MaxMin or Delaunay triangulation). It should be noted that the MinMax triangulation is generally only locally optical (not globally optimal) in this measure. The MaxMin triangulation, however, is both locally and globally optical. In addition, Steiner triangulations can be constructed by inserting new sites at triangle circumcenters followed by edge swapping based on the MaxMin criteria. Incremental insertion of sites also provides flexibility in choosing cell refinement criteria. A dynamic heap structure has been implemented in the code so that once a refinement measure is specified (i.e., maximum aspect ratio or some measure of a solution gradient for the solution adaptive grid generation) the cell with the largest value of this measure is continually removed from the top of the heap and refined. The heap refinement strategy allows the user to specify either the number of cells desired or refine the mesh until all cell refinement measures satisfy a user specified tolerance level. Since the dynamic heap structure is constantly updated, the algorithm always refines the particular cell in the mesh with the largest refinement criteria value. The code allows the user to: triangulate a cloud of prespecified points (sites), triangulate a set of prespecified interior points constrained by prespecified boundary curve(s), Steiner triangulate the interior/exterior of prespecified boundary curve(s), refine existing triangulations based on solution error measures, and partition meshes based on the Cuthill-McKee, spectral, and coordinate bisection strategies.

Wiltberger, N. Lyn↗

NCC: A Multidisciplinary Design/Analysis Tool for Combustion Systems

A multi-disciplinary design/analysis tool for combustion systems is critical for optimizing the low-emission, high-performance combustor design process. Based on discussions between NASA Lewis Research Center and the jet engine companies, an industry-government team was formed in early 1995 to develop the National Combustion Code (NCC), which is an integrated system of computer codes for the design and analysis of combustion systems. NCC has advanced features that address the need to meet designer's requirements such as "assured accuracy", "fast turnaround", and "acceptable cost". The NCC development team is comprised of Allison Engine Company (Allison), CFD Research Corporation (CFDRC), GE Aircraft Engines (GEAE), NASA Lewis Research Center (LeRC), and Pratt & Whitney (P&W). This development team operates under the guidance of the NCC steering committee. The "unstructured mesh" capability and "parallel computing" are fundamental features of NCC from its inception. The NCC system is composed of a set of "elements" which includes grid generator, main flow solver, turbulence module, turbulence and chemistry interaction module, chemistry module, spray module, radiation heat transfer module, data visualization module, and a post-processor for evaluating engine performance parameters. Each element may have contributions from several team members. Such a multi-source multi-element system needs to be integrated in a way that facilitates inter-module data communication, flexibility in module selection, and ease of integration.

Liu, Nan-Suey↗

Optimizing Simulation Fidelity in Direct-Drive Inertial Confinement Fusion with Cassio

Recently, the National Ignition Facility (NIF) demonstrated that inertial confinement fusion (ICF) is capable to achieve thermonuclear (TN) ignition in the laboratory, making it a crucial method on the path to replicate the Sun’s power production mechanism on Earth. However, the physics governing the high-energy density environments is very complex and remains a challenge to fully understand and model. For example, dopants in the TN fuel are important diagnostic tools to extract the thermodynamic conditions of the plasma. However, if their concentration is chosen too high, they can significantly degrade the performance of an ICF capsule. In this study, we use the Los Alamos National Laboratory radiation-hydrodynamics code Cassio to model ICF implosions of capsules which contain deuterium fuel with high-Z dopants like Krypton and Argon from the high-Z campaign conducted 15 years ago. We focus on how chosen computational and physics parameters influence the implosion outcomes. By systematically changing the resolution of the computational mesh and the photon energies as well as modifying settings for the laser drive and TN fuel pre-heat effects, we assess the impact on experimentally measured performance metrics like neutron production from TN burn and x-ray emission during the implosion. Our results will help to improve the fidelity of simulations and guide future numerical studies and experimental designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Numerical Modeling of Supersonic Combustion in a Non- Premixed Rotating Detonation Engine

A computational fluid dynamics (CFD) model was developed to simulate a representative non-premixed RDE combustor. Unsteady Reynolds-Averaged Navier-Stokes (RANS) simulations were performed for the full combustor geometry (including the separate fuel and air injection ports), with hydrogen as the fuel and air as the oxidizer. Adaptive mesh refinement (AMR) was incorporated to achieve a good trade-off between model accuracy and computational expense. A finite-rate chemistry model was employed along with a 10-species detailed kinetic mechanism to describe the H2-Air combustion chemistry. Two different operating conditions were simulated, corresponding to the same global equivalence ratio of unity but different fuel and air mass flow rates. Numerical results were compared against available experimental data on detonation wave frequency/height, reactant fill height, oblique shock angle and axial pressure distribution in the channel. The CFD model predicted the sensitivity of these wave characteristics to operating conditions with good accuracy, both qualitatively and quantitatively. The present CFD model offers a potential capability to perform rapid design space exploration and/or performance optimization studies for realistic full-scale RDE configurations.

Pal, Pinaki↗

Aero-Thermal Characterization of Accelerating and Diffusing Passages Downstream of Rotating Detonation Combustors

Cycle benefits of rotating detonation engines show up to five percentage points of efficiency gain for low-pressure ratio engines. An optimal integration between the combustor and the turbine needs to be guaranteed to realize this potential gain. The rotating detonation combustor (RDC) exhausts transonic flow with shocks rotating at frequencies ranging from a few to tens of kilohertz depending on the number of present waves. Hence, the turbine design requires precise knowledge of the fluctuations and losses downstream of the combustor. This paper focuses on the quantification of fluctuations and losses for accelerating and diffusing passages. The analysis of the combustor is performed via reactive unsteady Reynolds Averaged Navier-Stokes (URANS) simulations. The unsteady RANS equations are solved via CFD++ from Metacomp with a one-step reaction mechanism for an H2-air mixture. The resolving of the boundary layer is achieved with a structured mesh of around 36 million cells. Inlet pressure of 10 bar and two different back pressures are applied to the combustor to model the interconnection with downstream turbines. Finally, we present and assess a methodology to reduce the computational time to model these passages ten times.

Braun, James↗

Parametric Structural Model for a Mars Entry Concept

This paper outlines the process of developing a parametric model for a vehicle that can withstand Earth launch and Mars entry conditions. This model allows the user to change a variety of parameters ranging from dimensions and meshing to materials and atmospheric entry angles to perform finite element analysis on the model for the specified load cases. While this work focuses on an aeroshell for Earth launch aboard the Space Launch System (SLS) and Mars entry, the model can be applied to different vehicles and destinations. This specific project derived from the need to deliver large payloads to Mars efficiently, safely, and cheaply. Doing so requires minimizing the structural mass of the body as much as possible. The code developed for this project allows for dozens of cases to be run with the single click of a button. The end result of the parametric model gives the user a sense of how the body reacts under different loading cases so that it can be optimized for its purpose. The data are reported in this paper and can provide engineers with a good understanding of the model and valuable information for improving the design of the vehicle. In addition, conclusions show that the frequency analysis drives the design and suggestions are made to reduce the significance of normal modes in the design.

Lane, Brittney M.↗

Real time time-dependent density functional theory using higher order finite-element methods

We present a computationally efficient approach to solve the time-dependent Kohn-Sham equations in real time using higher order finite-element spatial discretization, applicable to both pseudopotential and all-electron calculations. To this end, we develop an a priori mesh adaption technique, based on the semidiscrete (discrete in space but continuous in time) error estimate on the time-dependent Kohn-Sham orbitals, to construct an efficient finite-element discretization. Subsequently, we obtain the full-discrete error estimate to guide our choice of the time step. We employ spectral finite elements along with special reduced order quadrature to render the overlap matrix diagonal, thereby simplifying the inversion of the overlap matrix that features in the evaluation of the discrete time-evolution operator. We use the second-order Magnus operator as the time-evolution operator, wherein the action of the discrete Magnus operator, expressed as exponential of a matrix, on the Kohn-Sham orbitals is obtained efficiently through an adaptive Lanczos iteration. We observe close to optimal rates of convergence of the dipole moment with respect to spatial and temporal discretization, for both pseudopotential and all-electron calculations. We demonstrate a staggering 100-fold reduction in the computational time afforded by higher order finite elements over linear finite elements, for both pseudopotential and all-electron calculations. Further, for similar level of accuracy, we obtain significant computational savings by our approach as compared to state-of-the-art finite-difference methods. Here, we also demonstrate the competence of higher order finite elements for all-electron benchmark systems. Lastly, we observe good parallel scalability of the proposed method on many hundreds of processors.

36 MATERIALS SCIENCE↗

ATDM LANL FleCSI: Topology and Execution Framework

FleCSI is a compile-time configurable C++ framework designed to support multi-physics application development. As such, FleCSI attempts to provide a very general set of infrastructure design patterns that can be specialized and extended to suit the needs of a broad variety of solver and data requirements. This means that FleCSI is potentially useful to many different ECP projects. Current support includes multidimensional mesh topology, mesh geometry, and mesh adjacency information, n-dimensional hashed-tree data structures, graph partitioning interfaces, and dependency closures (to identify data dependencies between distributed-memory address spaces). FleCSI introduces a functional programming model with control, execution, and data abstractions that are consistent with state-of-the-art task-based runtimes such as Legion and Charm++. The model also provides support for fine-grained, data-parallel execution with backend support for runtimes such as OpenMP and C++17. The FleCSI abstraction layer provides the developer with insulation from the underlying runtimes, while allowing support for multiple runtime systems, including conventional models like asynchronous MPI. The intent is to give developers a concrete set of user-friendly programming tools that can be used now, while allowing flexibility in choosing runtime implementations and optimizations that can be applied to architectures and runtimes that arise in the future. This project is essential to the ECP Ristra Next-Generation Code project, part of ASC ATDM, because it provides a hierarchically parallel programming model that is consistent with the design of modern system architectures, but which allows for the straightforward expression of algorithmic parallelism in a portably performant manner.

97 MATHEMATICS AND COMPUTING↗