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At least 1,405 records · Page 78

A Comparison of Classical and Aggregation-Based Algebraic Multigrid Preconditioners for High-Fidelity Simulation of Wind Turbine Incompressible Flows

This paper presents a comparison of parallel strong scaling performance of classical and aggregation algebraic multigrid (AMG) preconditioners in the context of wind turbine simulations. Fluid motion is governed by the incompressible Navier--Stokes equations, discretized in space with control-volume finite elements and in time with an inexact projection scheme using an implicit integrator. A discontinuous-Galerkin sliding-mesh algorithm captures rotor motion. The momentum equations are solved with iterative Krylov methods, preconditioned by symmetric Gauss--Seidel (SGS) in Trilinos and $\ell_1$ SGS in hypre. The mass-continuity equation is solved with GMRES preconditioned by AMG and can account for the majority of simulation time. Reducing this continuity solve time is crucial. Wind turbine simulations present two unique challenges for AMG preconditioned solvers: the computational meshes include strongly anisotropic elements, and mesh motion requires matrix reinitialization and computation of preconditioners at each time step. Detailed timing profiles are presented and analyzed, and best practices are discussed for both classical and aggregation-based AMG. Results are presented for simulations of two different wind turbines with up to 6 billion grid points on two different computer architectures. For moving mesh problems that require linear-system reinitialization, the well-established strategy of amortizing preconditioner setup costs over a large number of time steps to reduce the solve time is no longer valid. Instead, results show that faster time to solution is achieved by reducing preconditioner setup costs at the expense of linear-system solve costs. Standard smoothed aggregation with Chebyshev relaxation was found to perform poorly when compared with classical AMG in terms of solve time and robustness. However, plain aggregation was comparable to classical AMG.

97 MATHEMATICS AND COMPUTING↗

aphBO-2GP-3B: a budgeted asynchronous parallel multi-acquisition functions for constrained Bayesian optimization on high-performing computing architecture

High-fidelity complex engineering simulations are often predictive, but also computationally expensive and often require substantial computational efforts. The mitigation of computational burden is usually enabled through parallelism in high-performance cluster (HPC) architecture. Optimization problems associated with these applications is a challenging problem due to the high computational cost of the high-fidelity simulations. In this paper, an asynchronous parallel constrained Bayesian optimization method is proposed to efficiently solve the computationally expensive simulation-based optimization problems on the HPC platform, with a budgeted computational resource, where the maximum number of simulations is a constant. The advantage of this method are three-fold. Firstly, the efficiency of the Bayesian optimization is improved, where multiple input locations are evaluated parallel in an asynchronous manner to accelerate the optimization convergence with respect to physical runtime. This efficiency feature is further improved so that when each of the inputs is finished, another input is queried without waiting for the whole batch to complete. Second, the proposed method can handle both known and unknown constraints. Third, the proposed method samples several acquisition functions based on their rewards using a modified GP-Hedge scheme. The proposed framework is termed aphBO-2GP-3B, which means asynchronous parallel hedge Bayesian optimization with two Gaussian processes and three batches. The numerical performance of the proposed framework aphBO-2GP-3B is comprehensively benchmarked using 16 numerical examples, compared against other 6 parallel Bayesian optimization variants and 1 parallel Monte Carlo as a baseline, and demonstrated using two real-world high-fidelity expensive industrial applications. The first engineering application is based on finite element analysis (FEA) and the second one is based on computational fluid dynamics (CFD) simulations.

97 MATHEMATICS AND COMPUTING↗

WE-B-BRD-01: Innovation in Radiation Therapy Planning II: Cloud Computing in RT

As defined by the National Institute of Standards and Technology, cloud computing is “a model for enabling ubiquitous, convenient, on-demand network access to a shared pool of configurable computing resources (e.g., networks, servers, storage, applications, and services) that can be rapidly provisioned and released with minimal management effort or service provider interaction.” Despite the omnipresent role of computers in radiotherapy, cloud computing has yet to achieve widespread adoption in clinical or research applications, though the transition to such “on-demand” access is underway. As this transition proceeds, new opportunities for aggregate studies and efficient use of computational resources are set against new challenges in patient privacy protection, data integrity, and management of clinical informatics systems. In this Session, current and future applications of cloud computing and distributed computational resources will be discussed in the context of medical imaging, radiotherapy research, and clinical radiation oncology applications. Learning Objectives: Understand basic concepts of cloud computing. Understand how cloud computing could be used for medical imaging applications. Understand how cloud computing could be employed for radiotherapy research.4. Understand how clinical radiotherapy software applications would function in the cloud.

60 APPLIED LIFE SCIENCES↗

Addressing Challenges to the Design & Test of Operational Lighting Environments for the International Space Station

In our day to day lives, the availability of light, with which to see our environment, is often taken for granted. The designers of land based lighting systems use sunlight and artificial light as their toolset. The availability of power, quantity of light sources, and variety of design options are often unlimited. The accessibility of most land based lighting systems makes it easy for the architect and engineer to verify and validate their design ideas. Failures with an implementation, while sometimes costly, can easily be addressed by renovation. Consider now, an architectural facility orbiting in space, 260 miles above the surface of the earth. This human rated architectural facility, the International Space Station (ISS) must maintain operations every day, including life support and appropriate human comforts without fail. The facility must also handle logistics of regular shipments of cargo, including new passengers. The ISS requires accommodations necessary for human control of machine systems. Additionally, the ISS is a research facility and supports investigations performed inside and outside its livable volume. Finally, the facility must support remote operations and observations by ground controllers. All of these architectural needs require a functional, safe, and even an aesthetic lighting environment. At Johnson Space Center, our Habitability and Human Factors team assists our diverse customers with their lighting environment challenges, via physical test and computer based analysis. Because of the complexity of ISS operational environment, our team has learned and developed processes that help ISS operate safely. Because of the dynamic exterior lighting environment, uses computational modeling to predict the lighting environment. The ISS' orbit exposes it to a sunrise every 90 minutes, causing work surfaces to quickly change from direct sunlight to earthshine to total darkness. Proper planning of vehicle approaches, robotics operations, and crewed Extra Vehicular Activities are mandatory to ensure safety to the crew and all others involved. Innovation in testing techniques is important as well. The advent of Solid State Lighting technology and the lack of stable national and international standards for its implementation pose new challenges on how to design, test and verify individual light fixtures and the environment that uses them. The ISS will soon be replacing its internal fluorescent lighting system to a solid state LED system. The Solid State Lighting Assembly will be used not only for general lighting, but also as a medical countermeasure to control the circadian rhythm of the crew. The new light source has performance criteria very specific to its spectral fingerprint, creating new challenges that were originally not as significant during the original design of the ISS. This presentation will showcase findings and toolsets our team is using to assist in the planning of tasks, and design of operational lighting environments on the International Space Station.

Clark, Toni A.↗

Verifying quantitative reliability for programs that execute on unreliable hardware

Emerging high-performance architectures are expected to contain unreliable components that may exhibit soft errors, which silently corrupt the results of computations. Full detection and masking of soft errors is challenging, expensive, and, for some applications, unnecessary. For example, approximate computing applications (such as multimedia processing, machine learning, and big data analytics) can often naturally tolerate soft errors. We introduce Rely, a programming language that enables developers to reason about the quantitative reliability of an application—namely, the probability that it produces the correct result when executed on unreliable hardware. Rely allows developers to specify the reliability requirements for each value that a function produces. We perform a static quantitative reliability analysis that verifies quantitative requirements on the reliability of an application, enabling a developer to perform sound and verified reliability engineering. The analysis takes a Rely program with a reliability specification and a hardware specification that characterizes the reliability of the underlying hardware components and verifies that the program satisfies its reliability specification when executed on the underlying unreliable hardware platform. We demonstrate the application of quantitative reliability analysis on six computations implemented in Rely.

97 MATHEMATICS AND COMPUTING↗

The Statistical Mechanics of Ideal MHD Turbulence

Turbulence is a universal, nonlinear phenomenon found in all energetic fluid and plasma motion. In particular. understanding magneto hydrodynamic (MHD) turbulence and incorporating its effects in the computation and prediction of the flow of ionized gases in space, for example, are great challenges that must be met if such computations and predictions are to be meaningful. Although a general solution to the "problem of turbulence" does not exist in closed form, numerical integrations allow us to explore the phase space of solutions for both ideal and dissipative flows. For homogeneous, incompressible turbulence, Fourier methods are appropriate, and phase space is defined by the Fourier coefficients of the physical fields. In the case of ideal MHD flows, a fairly robust statistical mechanics has been developed, in which the symmetry and ergodic properties of phase space is understood. A discussion of these properties will illuminate our principal discovery: Coherent structure and randomness co-exist in ideal MHD turbulence. For dissipative flows, as opposed to ideal flows, progress beyond the dimensional analysis of Kolmogorov has been difficult. Here, some possible future directions that draw on the ideal results will also be discussed. Our conclusion will be that while ideal turbulence is now well understood, real turbulence still presents great challenges.

Shebalin, John V.↗

Computational Fluid Dynamics Models of the NASA White Sands Test Facility Particle Impact Test Nozzles

The particle impact ignition mechanism is considered to be the most effective means for igniting metals in gaseous oxygen environments and is a concern for every oxygen system. For this reason, the National Aeronautics and Space Administration (NASA) commits a large amount of resources attempting to understand and defend against this phenomenon. The most practical means of accomplishing this is through extensive of testing. To this end, over the years NASA has developed and built a facility and various apparatuses to test material or component vulnerability to a particle impact ignition. In testing materials, NASA uses sub-sonic and supersonic nozzles to replicate the conditions that a material is expected to experience in service. However, challenges include obtaining an understanding of the gas dynamics and of the particle behavior through and up to the point of impact at the material under test. One means of addressing these challenges is the use of computational fluid dynamics (CFD). If a CFD model can be built and validated, the model can then be used to confidently interrogate changes to inlet conditions and particle geometries, as well as changes to nozzle geometries to better simulate a material’s in-situ conditions and greatly reduce or eliminate trial-and-error approaches in testing. This paper will show NASA’s approach to and results of using CFD to better understand their particle impact nozzles.

Computational Fluid Dynamics↗

Multi-rate time integration on overset meshes

Overset meshes are an effective tool for the computational fluid dynamic simulation of problems with complex geometries or multiscale spatio-temporal features. When the maximum allowable timestep on one or more meshes is significantly smaller than on the remaining meshes, standard explicit time integrators impose inefficiencies for time-accurate calculations by requiring that all meshes advance with the smallest timestep. With the targeted use of multi-rate time integrators, separate meshes can be time-marched at independent rates to avoid wasteful computation while maintaining accuracy and stability. This work applies time-explicit multi-rate integrators to the simulation of the compressible Navier-Stokes equations discretized on overset meshes using summation-by-parts (SBP) operators and simultaneous approximation term (SAT) boundary conditions. We introduce a class of multi-rate Adams-Bashforth (MRAB) schemes that offer significant stability improvements and computational efficiencies for SBP-SAT methods. We present numerical results that confirm the efficacy of MRAB integrators, outline a number of implementation challenges, and demonstrate a reduction in computational cost enabled by MRAB. We also look at the use of our method in the setting of a large-scale distributed-memory parallel implementation where we discuss concerns involving load balancing and communication efficiency.

97 MATHEMATICS AND COMPUTING↗

CFD validation for aerodynamic flows - Challenge for the '90's

The process of computational fluid dynamics (CFD) validation is described from two perspectives, numerical error validation and physical model validation. Errors associated with time and space discretization, grid refinement, numerical dissipation, and level of solution convergence, are all possible sources of numerical error. The second aspect of CFD code validation is associated with the governing equations and the physical models, e.g., chemistry and turbulence models. This type of validation requires comparisons with carefully conducted experiments and is the primary aspect of the validation process discussed in this paper. Examples of validation are shown for selected Reynolds-averaged Navier-Stokes codes for conditions from transonic through hypersonic. Since code applications are becoming more complex, it no longer suffices to use data from surface or integral quantities alone to provide the required validation. Flow field surveys and experimental boundary condition measurements are emerging as critical data that must be obtained for CFD code validation. Progress in the overall level of validation is shown to be improving. However, future challenges remain, some of which are enumerated.

Marvin, Joseph G.↗

An end-to-end workflow for executing a classically bootstrapped variational quantum algorithm on an academic quantum computer

Academic quantum computing platforms often face unique challenges in executing quantum workloads due to fragmented software environments and limited engineering support. Unlike commercial ecosystems, academic devices typically evolve without full-stack integration in mind, making it difficult to run complex applications—such as variational quantum algorithms (VQA)—reliably and efficiently. Issues such as incompatible software layers and lack of automated job management significantly increase the overhead of theory-experiment collaboration. To address these challenges, we develop a modular, end-to-end workflow that decouples application-layer code from low-level hardware control, automates circuit submission and result collection, and supports fine-grained circuit-level job scheduling and recovery. The architecture employs a dual-end application programming interface (API) design, enabling robust operation across unstable or resource-constrained hardware backends. For practical use, the framework is lightweight and user-friendly, allowing rapid prototyping of full-stack workflows using basic Python tools. We validate this workflow on a high-fidelity trapped-ion quantum computer by demonstrating a variational quantum eigensolver (VQE) experiment with a classically bootstrapped ansatz initialization technique. The system successfully executed over 60,000 circuits across multiple molecular test cases with minimal human intervention, highlighting the framework’s effectiveness in enabling reproducible, resilient quantum experimentation in academic settings.

Clifford↗

Advanced in Visualization of 3D Time-Dependent CFD Solutions

Numerical simulations of complex 3D time-dependent (unsteady) flows are becoming increasingly feasible because of the progress in computing systems. Unfortunately, many existing flow visualization systems were developed for time-independent (steady) solutions and do not adequately depict solutions from unsteady flow simulations. Furthermore, most systems only handle one time step of the solutions individually and do not consider the time-dependent nature of the solutions. For example, instantaneous streamlines are computed by tracking the particles using one time step of the solution. However, for streaklines and timelines, particles need to be tracked through all time steps. Streaklines can reveal quite different information about the flow than those revealed by instantaneous streamlines. Comparisons of instantaneous streamlines with dynamic streaklines are shown. For a complex 3D flow simulation, it is common to generate a grid system with several millions of grid points and to have tens of thousands of time steps. The disk requirement for storing the flow data can easily be tens of gigabytes. Visualizing solutions of this magnitude is a challenging problem with today's computer hardware technology. Even interactive visualization of one time step of the flow data can be a problem for some existing flow visualization systems because of the size of the grid. Current approaches for visualizing complex 3D time-dependent CFD solutions are described. The flow visualization system developed at NASA Ames Research Center to compute time-dependent particle traces from unsteady CFD solutions is described. The system computes particle traces (streaklines) by integrating through the time steps. This system has been used by several NASA scientists to visualize their CFD time-dependent solutions. The flow visualization capabilities of this system are described, and visualization results are shown.

Lane, David A.↗

Parallel application-level behavioral attributes for performance and energy management of high-performance computing systems

Run time variability of parallel applications continues to present significant challenges to their performance and energy efficiency in high-performance computing (HPC) systems. When run times are extended and unpredictable, application developers perceive this as a degradation of system (or subsystem) performance. Extended run times directly contribute to proportionally higher energy consumption, potentially negating efforts by applications, or the HPC system, to optimize energy consumption using low-level control techniques, such as dynamic voltage and frequency scaling (DVFS). Therefore, successful systemic management of application run time performance can result in less wasted energy, or even energy savings. We have been studying run time variability in terms of communication time, from the perspective of the application, focusing on the interconnection network. More recently, our focus has shifted to developing a more complete understanding of the effects of HPC subsystem interactions on parallel applications. In this context, the set of executing applications on the HPC system is treated as a subsystem, along with more traditional subsystems like the communication subsystem, storage subsystem, etc. To gain insight into the run time variability problem, our earlier work developed a framework to emulate parallel applications (PACE) that stresses the communication subsystem. Evaluation of run time sensitivity to network performance of real applications is performed with a tool called PARSE, which uses PACE. In this paper, we propose a model defining application-level behavioral attributes, that collectively describes how applications behave in terms of their run time performance, as functions of their process distribution on the system (spacial locality), and subsystem interactions (communication subsystem degradation). These subsystem interactions are produced when multiple applications execute concurrently on the same HPC system. We also revisit our evaluation framework and tools to demonstrate the flexibility of our application characterization techniques, and the ease with which attributes can be quantified. The validity of the model is demonstrated using our tools with several parallel benchmarks and application fragments. Results suggest that it is possible to articulate application-level behavioral attributes as a tuple of numeric values that describe course-grained performance behavior.

Computer Science↗

Performance Analysis of an Optimization Algorithm for Metamaterial Design on the Integrated High-Performance Computing and Quantum Systems

Optimizing metamaterials with complex geometries is a big challenge. Although an active learning algorithm, combining machine learning (ML), quantum computing, and optical simulation, has emerged as an efficient optimization tool, it still faces difficulties in optimizing complex structures that have potentially high performance. In this work, we comprehensively analyze the performance of an optimization algorithm for metamaterial design on the integrated HPC and quantum systems. We demonstrate significant time advantages through message-passing interface (MPI) parallelization on the high-performance computing (HPC) system showing approximately 54% faster ML tasks and 67 times faster optical simulation against serial workloads. Furthermore, we analyze the performance of a quantum algorithm designed for optimization, which runs with various quantum simulators on a local computer or HPC-quantum system. Results showcase ~24 times speedup when executing the optimization algorithm on the HPC-quantum hybrid system. This study paves a way to optimize complex metamaterials using the integrated HPC-quantum system.

Kim, Seongmin↗

Proof-of-work for securing IoT and autonomous systems

A first device in a network issues a proof-of-work challenge to a second device in the network. The second device computes a cryptographic function result to satisfy a criterion indicated in the challenge. The second device returns a challenge response comprising inputs to the cryptographic function that the second device used to compute the cryptographic function result satisfying the criterion. The first device, upon receiving the challenge response, verifies that the inputs to the cryptographic function yield a result satisfying the criterion. Responsive to verifying the challenge response, the first device updates a blockchain based upon the challenge response.

Chan, Calvin↗

Integrating 5G Technology for Improved Process Monitoring and Network Slicing in ICS

Industrial Control Systems (ICS) are crucial for monitoring physical processes that support essential cyber-enabled services like power generation. The use of proprietary communication and lack of effective intrusion detection mechanisms pose constraints for efficient operation. Therefore, there is a need to modernize these systems with decentralized technologies like Edge Computing and 5G. However, integrating 5G and Edge Computing into large-scale ICS networks presents implementation and performance challenges. To address these challenges, this paper proposes an integrated ICS architecture that combines 5G and Edge Computing technologies with traditional ICS protocols. The objective is to minimize implementation and operational difficulties while improving the monitoring of physical processes and enabling robust intrusion detection. The proposed architecture outlines the necessary components, services, and communication protocols required for the integration of 5G and Edge Computing.

Aguayo, Jared M.↗

Massive Asynchronous Parallelization of Sparse Matrix Factorizations

Solving sparse problems is at the core of many DOE computational science applications. We focus on the challenge of developing sparse algorithms that can fully exploit the parallelism in extreme-scale computing systems, in particular systems with massive numbers of cores per node. Our approach is to express a sparse matrix factorization as a large number of bilinear constraint equations, and then solving these equations via an asynchronous iterative method. The unknowns in these equations are the matrix entries of the factorization that is desired.

97 MATHEMATICS AND COMPUTING↗

Topical Group on Application and Industry Community Engagement Frontier Snowmass 2021 (Summary Report)

HEP community leads and operates cutting-edge experiments for the DOE Office of Science which have challenging sensing, data processing, and computing requirements that far surpass typical industrial applications. To make necessary progress in the energy, material, and fundamental sciences, development of novel technologies is often required to enable these advanced detector and accelerator programs. Our capabilities include efficient co-design, which is a prerequisite to enable the deployment of advanced techniques in a scientific setting where development spans from rapid prototyping to robust and reliable production scale. This applies across the design spectrum from the low level fabrication techniques to the high level software development. It underpins the requirement for a holistic approach of innovation that accelerates the cycle of technology development and deployment. The challenges set by the next generation of experiments requires a collaborative approach between academia, industry and national labs. Just a single stakeholder will be unable to deliver the technologies required for the success of the scientific goals. Tools and techniques developed for High Energy Physics (HEP) research can accelerate scientific discovery more broadly across DOE Office of Science and other federal initiatives and also benefit industry applications.

43 PARTICLE ACCELERATORS↗