ACCELERATING DISCOVERY FROM HIGH PERFORMANCE COMPUTING APPLICATIONS USING DESCRIPTIVE METADATA MANAGEMENT.
Abstract not provided.
Lawson, Margaret↗
SEARCH · Engineering Papers
Results for “accelerated computing”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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An Online Dynamic Amplitude-Correcting Gradient Estimation Technique to Align X-ray Focusing Optics
High-brightness X-ray pulses, as generated at synchrotrons and X-ray free electron lasers (XFELs), are used in a variety of scientific experiments. At these facilities, measurements often require optical equipment, e.g Compound Refractive Lenses (CRLs) to be precisely aligned and focused. The lateral alignment of CRLs to a beamline requires precise positioning along four axes: two translational, and the two rotational. At a synchrotron, alignment is often accomplished manually. However, XFEL beamlines present a beam brightness that fluctuates stochastically, making manual alignment a time-consuming endeavor. Automation using simplex or classic stochastic descent often fails, given the errant gradient estimates. Herein we present a dynamic-amplitude correction to the usual gradient based on the combination of a generalized finite difference stencil and a time-dependent sampling pattern. Intensity is recorded periodically, then used to normalize numerical derivatives against fluctuations. Error expectation is analyzed, and efficacy is demonstrated on classic benchmarks. We provide a proof of concept by laterally aligning optics on a simulated XFEL beamline using data recorded at both synchrotron and XFEL facilities.
97 MATHEMATICS AND COMPUTING↗
Rim inertial measuring system
The invention includes an angular momentum control device (AMCD) having a rim and several magnetic bearing stations. The AMCD is in a strapped down position on a spacecraft. Each magnetic bearing station comprises means, including an axial position sensor, for controlling the position of the rim in the axial direction; and means, including a radial position sensor, for controlling the position of the rim in the radial direction. A first computer receives the signals from all the axial position sensors and computes the angular rates about first and second mutually perpendicular axes in the plane of the rim and computes the linear acceleration along a third axis perpendicular to the first and second axes. A second computer receives the signals from all the radial position sensors and computes the linear accelerations along the first and second axes.
Groom, N. J.↗
Multiple-grid convergence acceleration of viscous and inviscid flow computations
A multiple-grid algorithm for use in efficiently obtaining steady solution to the Euler and Navier-Stokes equations is presented. The convergence of a simple, explicit fine-grid solution procedure is accelerated on a sequence of successively coarser grids by a coarse-grid information propagation method which rapidly eliminates transients from the computational domain. This use of multiple-gridding to increase the convergence rate results in substantially reduced work requirements for the numerical solution of a wide range of flow problems. Computational results are presented for subsonic and transonic inviscid flows and for laminar and turbulent, attached and separated, subsonic viscous flows. Work reduction factors as large as eight, in comparison to the basic fine-grid algorithm, were obtained. Possibilities for further performance improvement are discussed.
Johnson, G. M.↗
Multiple-grid convergence acceleration of viscous and inviscid flow computations
A multiple-grid algorithm for use in efficiently obtaining steady solution to the Euler and Navier-Stokes equations is presented. The convergence of a simple, explicit fine-grid solution procedure is accelerated on a sequence of successively coarser grids by a coarse-grid information propagation method which rapidly eliminates transients from the computational domain. This use of multiple-gridding to increase the convergence rate results is substantially reduced work requirements for the numerical solution of a wide range of flow problems. Computational results are presented for subsonic and transonic inviscid flows and for laminar and turbulent, attached and separated, subsonic viscous flows. Work reduction factors as large as eight, in comparison to the basic fine-grid algorithm, were obtained. Possibilities for further performance improvement are discussed. Previously announced in STAR as N83-21847
Johnson, G. M.↗
Development of Computational Materials Workflows for Additively Manufactured Metallic Materials to Enable Accelerated Prediction of Fatigue Performance
The maturation of computational materials approaches for fatigue performance prediction in a qualification and certification process is stifled by the ability to validate complex, microstructure-based simulations. Such a validation strategy bears immediate challenges including generating accurate virtual microstructures, efficiently solving physics-based mechanical simulations over relevant spatial and temporal scales, and acquiring high-fidelity calibration and validation data at the appropriate length scale. This presentation will overview these common challenges and present a case study to demonstrate a computational materials workflow for additively manufactured metallic materials. In this study, process-specific defects are characterized using segmented X-Ray micro-computed tomography measurements and overlaid on virtual microstructures. Accelerated crystal plasticity-based fatigue simulations are performed to demonstrate cyclic evolution and localization of mechanical fields in the vicinity of defects in response to their precise spatial configuration. An example of how this computational materials workflow may support next-generation qualification is discussed.
computational materials↗
Computational Offload with BlueField Smart NICs
The recent introduction of a new generation of "smart NICs" have provided new accelerator platforms that include CPU cores or reconfigurable fabric in addition to traditional networking hardware and packet offloading capabilities. While there are currently several proposals for using these smartNICs for low-latency, in-line packet processing operations, there remains a gap in knowledge as to how they might be used as computational accelerators for traditional high-performance applications. This work aims to look at benchmarks and mini-applications to evaluate possible benefits of using a smartNIC as a compute accelerator for HPC applications. We investigate NVIDIA's current-generation BlueField-2 card, which includes eight Arm CPUs along with a small amount of storage, and we test the networking and data movement performance of these cards compared to a standard Intel server host. We then detail how two different applications, YASK and miniMD can be modified to make more efficient use of the BlueField-2 device with a focus on overlapping computation and communication for operations like neighbor building and halo exchanges. Our results show that while the overall compute performance of these devices is limited, using them with a modified miniMD algorithm allows for potential speedups of 5 to 20% over the host CPU baseline with no loss in simulation accuracy.
97 MATHEMATICS AND COMPUTING↗
Nonconservative force model parameter estimation strategy for TOPEX/Poseidon precision orbit determination
The TOPEX/Poseidon spacecraft was launched on August 10, 1992 to study the Earth's oceans. To achieve maximum benefit from the altimetric data it is to collect, mission requirements dictate that TOPEX/Poseidon's orbit must be computed at an unprecedented level of accuracy. To reach our pre-launch radial orbit accuracy goals, the mismodeling of the radiative nonconservative forces of solar radiation, Earth albedo an infrared re-radiation, and spacecraft thermal imbalances cannot produce in combination more than a 6 cm rms error over a 10 day period. Similarly, the 10-day drag modeling error cannot exceed 3 cm rms. In order to satisfy these requirements, a 'box-wing' representation of the satellite has been developed in which, the satellite is modelled as the combination of flat plates arranged in the shape of a box and a connected solar array. The radiative/thermal nonconservative forces acting on each of the eight surfaces are computed independently, yielding vector accelerations which are summed to compute the total aggregate effect on the satellite center-of-mass. Select parameters associated with the flat plates are adjusted to obtain a better representation of the satellite acceleration history. This study analyzes the estimation of these parameters from simulated TOPEX/Poseidon laser data in the presence of both nonconservative and gravity model errors. A 'best choice' of estimated parameters is derived and the ability to meet mission requirements with the 'box-wing' model evaluated.
Luthcke, S. B.↗
Modeling radiation forces acting on TOPEX/Poseidon for precision orbit determination
Geodetic satellites such as GEOSAT, SPOT, ERS-1, and TOPEX/Poseidon require accurate orbital computations to support the scientific data they collect. Until recently, gravity field mismodeling was the major source of error in precise orbit definition. However, albedo and infrared re-radiation, and spacecraft thermal imbalances produce in combination no more than a 6-cm radial root-mean-square (RMS) error over a 10-day period. This requires the development of nonconservative force models that take the satellite's complex geometry, attitude, and surface properties into account. For TOPEX/Poseidon, a 'box-wing' satellite form was investigated that models the satellite as a combination of flat plates arranged in a box shape with a connected solar array. The nonconservative forces acting on each of the eight surfaces are computed independently, yielding vector accelerations which are summed to compute the total aggregate effect on the satellite center-of-mass. In order to test the validity of this concept, 'micro-models' based on finite element analysis of TOPEX/Poseidon were used to generate acceleration histories in a wide variety of orbit orientations. These profiles are then compared to the box-wing model. The results of these simulations and their implication on the ability to precisely model the TOPEX/Poseidon orbit are discussed.
Marshall, J. A.↗
A redshift survey of IRAS galaxies. V - The acceleration on the Local Group
The acceleration on the Local Group is calculated based on a full-sky redshift survey of 5288 galaxies detected by IRAS. A formalism is developed to compute the distribution function of the IRAS acceleration for a given power spectrum of initial perturbations. The computed acceleration on the Local Group points 18-28 deg from the direction of the Local Group peculiar velocity vector. The data suggest that the CMB dipole is indeed due to the motion of the Local Group, that this motion is gravitationally induced, and that the distribution of IRAS galaxies on large scales is related to that of dark matter by a simple linear biasing model.
Strauss, Michael A.↗
Conservative force model performance for TOPEX/Poseidon precision orbit determination
The TOPEX/Poseidon spacecraft was launched on August 10, 1992 to study the Earth's oceans. To achieve maximum benefit from the altimetric data collected, mission requirements dictate that TOPEX/Poseidon's orbit must be computed at an unprecedented level of accuracy. In order to satisfy these requirements, a model which accounts for the satellite's complex geometry, attitude, and surface properties has been developed. This `box-wing' representation treats the spacecraft as the combination of flat plates arranged in the shape of a box and a connecetd solar array. The nonconservative forces acting on each of the eight surfaces are computed independently, yielding vector accelerations which are summed to compute the total aggregate effect on the satellite center-of-mass. Parameters associated with each flat plate were derived from a finite element analysis of the spacecraft. Certain parameters can be inferred from tracking data and have been adjusted to obtain a better representation of the satellite acceleration history. Changes in the nominal mission profile and the presence of an `anomalistic' force have complicated this tuning process. Model performance, parameter sensitivities, and the `anomalistic' force will be discussed.
Marshall, J. Andrew↗
Utilizing GPUs to Accelerate Turbomachinery CFD Codes
GPU computing has established itself as a way to accelerate parallel codes in the high performance computing world. This work focuses on speeding up APNASA, a legacy CFD code used at NASA Glenn Research Center, while also drawing conclusions about the nature of GPU computing and the requirements to make GPGPU worthwhile on legacy codes. Rewriting and restructuring of the source code was avoided to limit the introduction of new bugs. The code was profiled and investigated for parallelization potential, then OpenACC directives were used to indicate parallel parts of the code. The use of OpenACC directives was not able to reduce the runtime of APNASA on either the NVIDIA Tesla discrete graphics card, or the AMD accelerated processing unit. Additionally, it was found that in order to justify the use of GPGPU, the amount of parallel work being done within a kernel would have to greatly exceed the work being done by any one portion of the APNASA code. It was determined that in order for an application like APNASA to be accelerated on the GPU, it should not be modular in nature, and the parallel portions of the code must contain a large portion of the code's computation time.
computer programming↗
Studying performance portability of LAMMPS across diverse GPU-based platforms
The molecular dynamics simulation software, LAMMPS, utilizes the Kokkos acceleration library to port computation to a diverse set of architectures including those based on GPU accelerators. In addition to Kokkos, LAMMPS contains a vast code base that leverages the CUDA application programming interface using library functions such as cuFFT, CUDA's fast-fourier transform (FFT) library, and, more recently, also support for AMD's Heterogeneous Interface for Portability (HIP) that is rapidly growing. While preparing LAMMPS tests for the AMD GPU-based test system precursors to Frontier, we investigated several strategies for accelerating LAMMPS on AMD GPUs, using the AMD Instinct MI100 and MI250X. In this work, we integrated the HIP FFT library, hipFFT, into the particle-particle particle-mesh (PPPM) long-range solver, which allowed the porting of PPPM calculations to the GPUs. Kokkos behavior on the MI100 and MI250X was also investigated through the package kokkos command of LAMMPS, targeting communication, memory usage, and particle grid decomposition. The Tersoff, Reax, Lennard-Jones (LJ), EAM, Granular, and PPPM potentials were investigated in this effort, and results from these experiments are provided. In conclusion, the selected potentials were run on Spock (AMD Instinct MI100), Crusher (AMD Instinct MI250X), AFW HPC11 (NVIDIA A100) and Summit (NVIDIA V100), for comparison. Operational roofline models were constructed and analyzed for the Tersoff, Reax, and Lennard–Jones potentials on Crusher and Summit.
97 MATHEMATICS AND COMPUTING↗
The new challenge of computational aeroscience
This paper discusses NASA's Computational Aerosciences (CAS) Project of the High Performance Computing and Communications Program (HPCCP). The project is aimed at developing advanced, multidisciplinary simulation capabilities for aerospace vehicle and propulsion system design. It is also aimed at overcoming computational performance barriers by accelerating the development of parallel computer technology. The goals and approach of the CAS Project are described and the challenges to its implementation are addressed. Specific vehicle class simulations to be demonstrated and the principal mutidisciplinary modeling approaches to be emphasized are described. The computational speed and memory requirements for representative multidisciplinary applications are estimated. Finally, the state of parallel computer technology including programming issues and the results of performance measurements are explored.
Bailey, F. R.↗
GPU-Accelerated Machine Learning Inference as a Service for Computing in Neutrino Experiments
Machine learning algorithms are becoming increasingly prevalent and performant in the reconstruction of events in accelerator-based neutrino experiments. These sophisticated algorithms can be computationally expensive. At the same time, the data volumes of such experiments are rapidly increasing. The demand to process billions of neutrino events with many machine learning algorithm inferences creates a computing challenge. We explore a computing model in which heterogeneous computing with GPU coprocessors is made available as a web service. The coprocessors can be efficiently and elastically deployed to provide the right amount of computing for a given processing task. With our approach, Services for Optimized Network Inference on Coprocessors (SONIC), we integrate GPU acceleration specifically for the ProtoDUNE-SP reconstruction chain without disrupting the native computing workflow. With our integrated framework, we accelerate the most time-consuming task, track and particle shower hit identification, by a factor of 17. This results in a factor of 2.7 reduction in the total processing time when compared with CPU-only production. For this particular task, only 1 GPU is required for every 68 CPU threads, providing a cost-effective solution.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
The influence of source acceleration on acoustic signals
The effect of aircraft acceleration on acoustic signals is often ignored in both analytical studies and data reduction of flight test measurements. In this study, the influence of source acceleration on acoustic signals is analyzed using computer simulated signals for an accelerating point source. Both rotating and translating sources are considered. Using a known signal allows an assessment of the influence of source acceleration on the received signal. Aircraft acceleration must also be considered in the measurement and reduction of flyover noise. Tracking of the aircraft over an array of microphones enables ensemble averaging of the acoustic signal, thus increasing the confidence in the measured data. This is only valid when both the altitude and velocity remain constant. For an accelerating aircraft, each microphone is exposed to differing flight velocities, Doppler shifts, and smear angles. Thus, averaging across the array in the normal manner is constrained by aircraft acceleration and microphone spacing. In this study computer simulated spectra, containing acceleration, are averaged across a 12 microphone array mimicking a flight test with accelerated profile in which noise data was obtained. Overlapped processing is performed is performed in the flight test measurements in order to alleviate spectral smearing.
Kelly, Jeffrey J.↗
Phoebe: a high-performance framework for solving phonon and electron Boltzmann transport equations
Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors, and energy conversion devices. Computational modeling can accurately predict material properties but, in order to be reliable, requires accurate descriptions of electron and phonon states and their interactions. While first-principles methods are capable of describing the energy spectrum of each carrier, using them to compute transport properties is still a formidable task, both computationally demanding and memory intensive, requiring integration of fine microscopic scattering details for estimation of macroscopic transport properties. To address this challenge, we present Phoebe—a newly developed software package that includes the effects of electron–phonon, phonon–phonon, boundary, and isotope scattering in computations of electrical and thermal transport properties of materials with a variety of available methods and approximations. This open source C++ code combines MPI-OpenMP hybrid parallelization with GPU acceleration and distributed memory structures to manage computational cost, allowing Phoebe to effectively take advantage of contemporary computing infrastructures. We demonstrate that Phoebe accurately and efficiently predicts a wide range of transport properties, opening avenues for accelerated computational analysis of complex crystals.
36 MATERIALS SCIENCE↗
Computational tools and data integration to accelerate vaccine development: challenges, opportunities, and future directions
The development of effective vaccines is crucial for combating current and emerging pathogens. Despite significant advances in the field of vaccine development there remain numerous challenges including the lack of standardized data reporting and curation practices, making it difficult to determine correlates of protection from experimental and clinical studies. Significant gaps in data and knowledge integration can hinder vaccine development which relies on a comprehensive understanding of the interplay between pathogens and the host immune system. In this review, we explore the current landscape of vaccine development, highlighting the computational challenges, limitations, and opportunities associated with integrating diverse data types for leveraging artificial intelligence (AI) and machine learning (ML) techniques in vaccine design. We discuss the role of natural language processing, semantic integration, and causal inference in extracting valuable insights from published literature and unstructured data sources, as well as the computational modeling of immune responses. Furthermore, we highlight specific challenges associated with uncertainty quantification in vaccine development and emphasize the importance of establishing standardized data formats and ontologies to facilitate the integration and analysis of heterogeneous data. Through data harmonization and integration, the development of safe and effective vaccines can be accelerated to improve public health outcomes. Looking to the future, we highlight the need for collaborative efforts among researchers, data scientists, and public health experts to realize the full potential of AI-assisted vaccine design and streamline the vaccine development process.
60 APPLIED LIFE SCIENCES↗