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At least 1,423 records · Page 79

Evaluation of Graph Analytics Frameworks Using the GAP Benchmark Suite

The analysis of connected data is an increasingly important application in high-performance computing. Such analyses can reveal fraudulent patterns in financial transactions, optimize telecommunications networks, predict information flow in social networks, etc. However, the landscape of graph analytics is highly diverse. Graph algorithms stress processor architectures differently, and no one graph can represent all topologies. Consequently, no single approach or framework is expected to be optimal for all graph analytics problems. To help make sense of this diverse landscape, we evaluated four approaches to graph analytics: GraphBLAS, Galois, BGL17, GraphIt; and compare them against hand-tuned implementations that take advantage of hardware features on our test platform. Graph- BLAS formulates graph analytics as sparse linear algebra. Galois provides syntactic constructs for data parallelism over irregular data structures. BGL17 is a generic C++ template library for implementing graph algorithms. GraphIt provides a domain- specific language to describe and optimize graph algorithms. We use the GAP Benchmark Suite to establish baseline performance and guide the side-by-side evaluation of each framework. GAP consists of 30 tests: six graph analytics algorithms (breadth- first search, single-source shortest path, PageRank, betweenness centrality, connected components, and triangle counting) run on five graphs, each with different topological characteristics (e.g., high diameter, skewed degree distribution, high average degree). High-performance reference implementations are included for each benchmark algorithm. Because a graph can be loaded into memory a number of ways (e.g., flat file on disk, compressed sparse format, data frames, retrieved from SQL or NoSQL databases), our evaluation focused on computational performance rather than I/O. Our results show the relative strengths of each framework.

Graph algorithms, Benchmarking, shared-memory prog↗

Proceedings of the 1998 International Computational Accelerator Physics Conference

The 1998 International Computational Accelerator Physics Conference, ICAP’98, was held September 14-18, 1998, at the Monterey Convention Center in Monterey, California. The meeting continued the tradition of four earlier Computational Accelerator Physics conferences, held in La Jolla, California (1988), Los Alamos, New Mexico (1990), Pleasanton, California (1993), and Williamsburg, Virginia (1996). ICAP’98 was organized by the Stanford Linear Accelerator Center (SLAC), Los Alamos National Laboratory (LANL), and the National Energy Research Scientific Computing Center (NERSC), and received support from the U.S. Department of Energy. The aim of this conference series is to discuss recent advances in Computational Accelerator Physics and their applications to solving important problems related to present and future accelerators. The ICAP’98 program included plenary sessions on modeling challenges in next-generation accelerators, state-of-the art methods in computational accelerator physics, and a view of what high-end computing would be like in the 21st century. There were also focused sessions on accelerator design and control, modeling high intensity beam phenomena, electromagnetic modeling, advanced algorithms, software environments and libraries, visualization and graphic interfaces, modeling advanced accelerator concepts, modeling the beam-beam interaction, computing wakefields, and combined particle/field simulations. In addition to these oral sessions there was a poster session and a vendor display. Prior to the start of the technical program, a half-day tutorial on High Performance Computing was hosted by NERSC. The ICAP series recognizes that computing and, in particular, advanced computing, is playing an increasingly important role in the successful design and development of major accelerator facilities, and in research and development leading to advances in accelerator technology. We expect that this new emphasis on high-end computing will continue in future ICAP conferences.

Ko, Kwok↗

Performance Enhancement Strategies for Multi-Block Overset Grid CFD Applications

The overset grid methodology has significantly reduced time-to-solution of highfidelity computational fluid dynamics (CFD) simulations about complex aerospace configurations. The solution process resolves the geometrical complexity of the problem domain by using separately generated but overlapping structured discretization grids that periodically exchange information through interpolation. However, high performance computations of such large-scale realistic applications must be handled efficiently on state-of-the-art parallel supercomputers. This paper analyzes the effects of various performance enhancement strategies on the parallel efficiency of an overset grid Navier-Stokes CFD application running on an SGI Origin2000 machinc. Specifically, the role of asynchronous communication, grid splitting, and grid grouping strategies are presented and discussed. Details of a sophisticated graph partitioning technique for grid grouping are also provided. Results indicate that performance depends critically on the level of latency hiding and the quality of load balancing across the processors.

Djomehri, M. Jahed↗

PALMO: An OVERFLOW Machine Learning Airfoil Performance Database

The OVERFLOW Machine Learning Airfoil Performance (PALMO) database has been created to enable robust modeling of airfoil performance in a variety of applications. The PALMO database uses OVERFLOW simulation data second-order accurate in time and fourth-order accurate in space with Spalart-Allmaras turbulence closure. The foundation of the in-development PALMO database is the airfoil base cube. Each base cube includes simulation data parametrized over a range of Mach numbers, Reynolds numbers, and angles-of-attack. This database includes the NACA 4-series airfoils, with parametrization in airfoil thickness and camber from an NACA 0006 to an NACA 4424. In total, 52,480 NACA 4-series OVERFLOW calculations were run on the NASA High-End Compute Capability (HECC) supercomputer. This provides high-order-accurate simulation data covering a wide range of aerospace design applications, which enables users to develop accurate airfoil performance look-up tables without additional high-performance computing. In addition to engineering design and analysis of aerospace vehicles, PALMO is well suited to be a benchmark dataset for the development and testing of machine learning methods in aerospace engineering. This work presents an example PALMO surrogate model that enables accurate airfoil performance predictions for any arbitrary combination of camber, thickness, Mach number, Reynolds number, and angle of attack within the bounds of the database. Airfoil performance tables predicted for an airfoil not used in training the model are used in three-dimensional OVERFLOW simulations to quantify the downstream accuracy on aggregate rotor performance metrics. For the NACA 3415 airfoil, which had no common thickness or camber with the training data, the surrogate predicted and CFD generated tables were within 2.1% of each other in the forward flight lift to drag metric. This suggests that performance tables generated for airfoils within the bounds of the PALMO database will yield aggregate rotor performance predictions on par with tables generated from directly running OVERFLOW airfoil calculations. The PALMO airfoil performance coefficients are available publicly.

Database↗

Solving sparse finite element problems on neuromorphic hardware

The finite element method (FEM) is one of the most important and ubiquitous numerical methods for solving partial differential equations (PDEs) on computers for scientific and engineering discovery. Applying the FEM to larger and more detailed scientific models has driven advances in high-performance computing for decades. Here we demonstrate that scalable spiking neuromorphic hardware can directly implement the FEM by constructing a spiking neural network that solves the large, sparse, linear systems of equations at the core of the FEM. We show that for the Poisson equation, a fundamental PDE in science and engineering, our neural circuit achieves meaningful levels of numerical accuracy and close to ideal scaling on modern, inherently parallel and energy-efficient neuromorphic hardware, specifically Intel’s Loihi 2 neuromorphic platform. We illustrate extensions to irregular mesh geometries in both two and three dimensions as well as other PDEs such as linear elasticity. Our spiking neural network is constructed from a recurrent network model of the brain’s motor cortex and, in contrast to black-box deep artificial neural network-based methods for PDEs, directly translates the well-understood and trusted mathematics of the FEM to a natively spiking neuromorphic algorithm.

Applied mathematics↗

Summarizing the interoperabilities between xSDK members

Rapid, efficient production of high-quality, sustainable extreme-scale scientific applications is best accomplished using a rich ecosystem of state-of-the art reusable libraries, tools, lightweight frameworks, and defined software methodologies, developed by a community of scientists who are striving to identify, adapt, and adopt best practices in software engineering. The vision of the xSDK is to provide infrastructure for and interoperability of a collection of related and complementary software elements — developed by diverse, independent teams throughout the high-performance computing (HPC) community — that provide the building blocks, tools, models, processes, and related artifacts for rapid and efficient development of high-quality applications. A primary component, and challenge, of the xSDK is to improve interoperability among software libraries and domain components. This document summarizes the current and planned interoperabilities of the twenty-three xSDK member packages as of March 2021. Additionally, the status of the xSDK example codes that demonstrate and test the interoperabilities within the xSDK is provided.

97 MATHEMATICS AND COMPUTING↗

Experience Paper: Software Engineering and Community Codes Track in ATPESC

Argonne Training Program in Extreme Scale Computing (ATPESC) was started by the Argonne National Laboratory with the objective of expanding the ranks of better prepared users of high performance computing (HPC) machines. One of the unique aspects of the program was inclusion of software engineering and community codes track. The inclusion was motivated by the observation that the projects with a good scientific and software process were better able to meet their scientific goals. In this paper we present our experience of running the software track from the beginning of the program until now. We discuss the motivations, the reception, and the evolution of the track over the years. We welcome discussion and input from the community to enhance the track in ATPESC, and also to facilitate inclusion of similar tracks in other HPC oriented training programs.

Dubey, Anshu↗

GASNet-EX RMA Communication Performance on Recent Supercomputing Systems

Partitioned Global Address Space (PGAS) programming models, typified by systems such as Unified Parallel C (UPC) and Fortran coarrays, expose one-sided Remote Memory Access (RMA) communication as a key building block for High Performance Computing (HPC) applications. Architectural trends in supercomputing make such programming models increasingly attractive, and newer, more sophisticated models such as UPC++, Legion and Chapel that rely upon similar communication paradigms are gaining popularity. GASNet-EX is a portable, open-source, high-performance communication library designed to efficiently support the networking requirements of PGAS runtime systems and other alternative models in emerging exascale machines. The library is an evolution of the popular GASNet communication system, building upon 20 years of lessons learned. We present microbenchmark results which demonstrate the RMA performance of GASNet-EX is competitive with MPI implementations on four recent, high-impact, production HPC systems. These results are an update relative to previously published results on older systems. The networks measured here are representative of hardware currently used in six of the top ten fastest supercomputers in the world, and all of the exascale systems on the U.S. DOE road map.

Hargrove, Paul H↗

Recovery Act - CAREER: Sustainable Silicon -- Energy-Efficient VLSI Interconnect for Extreme-Scale Computing

The research goal of this CAREER proposal is to develop energy-efficient, VLSI interconnect circuits and systems that will facilitate future massively-parallel, high-performance computing. Extreme-scale computing will exhibit massive parallelism on multiple vertical levels, from thou­ sands of computational units on a single processor to thousands of processors in a single data center. Unfortunately, the energy required to communicate between these units at every level (on­ chip, off-chip, off-rack) will be the critical limitation to energy efficiency. Therefore, the PI's career goal is to become a leading researcher in the design of energy-efficient VLSI interconnect for future computing systems.

97 MATHEMATICS AND COMPUTING↗

Report of the Snowmass 2021 Topical Group on Lattice Gauge Theory

Lattice gauge theory continues to be a powerful theoretical and computational approach to simulating strongly interacting quantum field theories, whose applications permeate almost all disciplines of modern-day research in High-Energy Physics. Whether it is to enable precision quark- and lepton-flavor physics, to uncover signals of new physics in nucleons and nuclei, to elucidate hadron structure and spectrum, to serve as a numerical laboratory to reach beyond the Standard Model, or to invent and improve state-of-the-art computational paradigms, the lattice-gauge-theory program is in a prime position to impact the course of developments and enhance discovery potential of a vibrant experimental program in High-Energy Physics over the coming decade. This projection is based on abundant successful results that have emerged using lattice gauge theory over the years: on continued improvement in theoretical frameworks and algorithmic suits; on the forthcoming transition into the exascale era of high-performance computing; and on a skillful, dedicated, and organized community of lattice gauge theorists in the U.S. and worldwide. The prospects of this effort in pushing the frontiers of research in High-Energy Physics have recently been studied within the U.S. decadal Particle Physics Planning Exercise (Snowmass 2021), and the conclusions are summarized in this Topical Report.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

GeoThermalCloud: Cloud Fusion of Big Data and Multi-Physics Models using Machine Learning for Discovery, Exploration, and Development of Hidden Geothermal Resources

The primary goals of this project are exploring hidden geothermal resources in the U.S.A. and designing profitable enhanced geothermal systems (EGS). Many processes and parameters control geothermal exploration and energy production from geothermal fields. Diverse datasets (e.g., geology, geochemistry, geophysics, satellite, airborne geophysics) are available to help characterize subsurface geothermal conditions. Sparse and multi-scale characteristics of these datasets prohibit properly leveraging these datasets for geothermal exploration and profitable EGS design. Recent advancements in machine learning (ML) promise to resolve these issues. The tremendous challenges and risks of geothermal exploration and production bring the demand for novel ML methods and tools that can (1) analyze large field datasets, (2) assimilate model simulations (large inputs and outputs), (3) process sparse datasets, (4) perform transfer learning (between sites with different exploratory levels), (5) extract hidden geothermal signatures in the field and simulation data, (6) label geothermal resources and processes, (7) identify high-value data acquisition targets, and (8) guide geothermal exploration and production by selecting optimal exploration, production, and drilling strategies. To address these necessities, ML-based geothermal resources exploration and enhanced geothermal systems (EGS) design tools have been developed. The exploration tool is called GeoThermalCloud and EGS design tool is called GeoDT-ML. GeoThermalCloud (https://github.com/SmartTensors/GeoThermalCloud.jl) utilizes a LANL unsupervised ML platform called SmartTensors (https://tensors.lanl.gov/) to automate data analyses and interpretations by extracting hidden signatures to identify geothermal prospects. Also, it enables the identification of critical measurements needed to identify geothermal resource signatures. Alternatively, GeoDT-ML (https://github.com/SmartTensors/GeoThermalCloud.jl/tree/master/EGS) is an ML-based alternative to GeoDT (https://github.com/GeoDesignTool/GeoDT.git), a fast, simplified multi-physics solver to evaluate EGS project designs in uncertain geologic systems. GeoDT-ML leverages recent advances in deep learning and high-performance computing. It is a faster and simpler version of GeoDT. To make this project a success, we used capabilities of LANL, PNNL, Google, Stanford, and Julia Computing. We analyzed eight datasets of the U.S.A. using GeothermalCloud and demonstrated potential highly prospective geothermal resources and identified key factors defining highly prospective sites. The first data set includes 44 locations in southwest New Mexico and 18 geological, hydrogeological, geophysical, geothermal, geochemical attributes. We defined low- and medium-temperature hydrothermal systems and discovered a new highly prospective site. The second data set analyzed 18 shallow water chemistry attributes at 14,342 locations in the Great Basin. It demarcated modestly, moderately, and highly prospective sites including key attributes for each type of prospectivity. The third data set analyzed Utah FORGE data including satellite (InSAR), geophysical (gravity, seismic), geochemical, and geothermal attributes. Here, we performed prospectivity analysis to identify future drilling locations using geological, geochemical, and geophysical attributes. Maps of temperature at depth and heat flow are constructed based on the available data. Prospectivity maps were generated, and drilling locations were proposed for future geothermal field exploration. The fourth data set analyzed 21 attributes at 120 locations in Tularosa Basin, New Mexico; data comes from past play fairway analyses in this region. ML analyses identified geothermal signatures associated with modestly, moderately, and highly hydrothermal systems. We also defined dominant attributes and spatial distribution of the geothermal signatures. The fifth, sixth, seventh, and eighth datasets include Tohatchi Springs, New Mexico, Hawaii, Brady site, Nevada, and EGS Collab, respectively. Moreover, we coupled GeothermalCloud and magnetotellurics data to pinpoint drilling locations for developing geothermal projects in the Tularosa Basin, New Mexico. GeothermalCloud found potential prospective locations for geothermal resources near White Sands Missile Range and McGregor Range at Fort Bliss. Magnetotellurics data determined the potential depth (~1800m) of geothermal prospects at McGregor Range based on apparent resistivity structures/layers in the subsurface. The McGregor Range consists of three resistivity layers and two resistivity structures. Magnetotellurics data also helps identify that the western portion of the McGregor Range has thick and low-resistivity earth materials. The low resistivity to the west is most likely for a fault system. Assuming temperature is consistent with a geothermal reservoir, the west-central part of the McGregor Range has the highest geothermal potential because of the increase in porosity and associated permeability attributed to the interpreted fault system. Also, we devised a coupling strategy between a process model and GeothermalCloud to characterize hydrogeological conditions and geothermal conditions, respectively. The process model characterizes hydrogeological and geothermal conditions on highly prospective geothermal sites provided by GeothermalCloud. We developed a physics-informed neural network (PINN) version of the Burns equation that can be easily coupled with GeothermalCloud. Furthermore, we performed an optimal design decision maximizing the economic value of an EGS power plant. This study optimized the range of well spacing between injection and production wells maximizing net present value in dollars (NPV). For this task, we used the GeoDT to simulate the Utah FORGE EGS development cycle from the initial well design to the end of production. Next, we accomplished another crucial task, which is predicting permeability of geothermal reservoirs. Predicting permeability of geothermal reservoirs is a non-trivial task because of huge computational runtime of simulation and lack of measurements. To avoid these limitations, we used easy-to-measure chemical concentrations in the subsurface as measurement data and convolutional neural network based ML model of a high-fidelity model. Next, we predicted permeability using Markov chain Monte Carlo simulation. We found that Markov chain Monte Carlo simulation predicts permeability with a high certainty if the prediction zone in the simulation area has chemical concentration data. Finally, we analyzed the DOE funded INGENIOUS and GeoDAWN projects data. For discovering hidden geothermal systems in the Great Basin, the INGENIOUS project accumulated old data, collected new data, and released them in 2022. The dataset includes a total of 24 geological, geophysical, and geochemical attributes. Data resolution and scale significantly vary prohibiting an appropriate usage. To avoid such limitations, we brought all data in the same resolution and scale by applying the inverse distance weighting interpolation technique for predicting data in unsampled locations. Subsequently, we analyzed LiDAR data of the GeoDAWN project. We received data in tiles format. The DOE’s overarching goal is to use ML on LiDAR data for finding favorable geological structures (e.g., step up faults in Brady, Nevada). To serve the purpose, we need to label favorable geologic structures that correspond to LiDAR data. We wrote an algorithm to label the LiDAR data with the favorable geologic structures.

15 GEOTHERMAL ENERGY↗

Machine Learning-Based Extreme Data Reduction for Prompt Supernova Pointing at DUNE

One of the goals of the Deep Underground Neutrino Experiment (DUNE) is to use the massive underground liquid argon time projection chamber (LArTPC) detectors at its far site for multimessenger astronomy (MMA), in the detection of neutrinos from core-collapse supernovae (SNe). Its current baseline trigger strategy detects activity in the detector that is consistent with supernova (SN) neutrinos and saves the raw data for further offline analysis but provides no prompt pointing information crucial for optical follow-ups by other observatories. This approach is based on the assumption that prompt pointing determination using raw data is computationally prohibitive. In this article, we demonstrate a proof-of-concept based on applying extreme data reduction on the buffered SN data in the DUNE data acquisition (DAQ) system’s front-end computers using a machine learning (ML) workflow. This reduces the data by ~5 orders of magnitude, allowing a full track reconstruction to be carried out quickly on a single server. The total time to perform the ML-based data reduction and the full track reconstruction is less than the time to transfer the SN data back to Fermilab or a high-performance computing (HPC) center. This shows that prompt processing of raw SN data is possible and, in fact, trivial once the data have been reduced to reject radiological backgrounds, paving the way to a high-quality SN pointing trigger that is based on fully reconstructed data instead of trigger primitives (TPs).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Performance Efficient Multiresilience Using Checkpoint Recovery in Iterative Algorithms

In this paper, we address the design challenge of building multiresilient iterative high-performance computing (HPC) applications. Multiresilience in HPC applications is the ability to tolerate and maintain forward progress in the presence of both soft errors and process failures. We address the challenge by proposing performance models which are useful to design performance efficient and resilient iterative applications. The models consider the interaction between soft error and process failure resilience solutions. We experimented with a linear solver application with two distinct kinds of soft error detectors: one detector has high overhead and high accuracy, whereas the second has low overhead and low accuracy. We show how both can be leveraged for verifying the integrity of checkpointed state used to recover from both soft errors and process failures. Our results show the performance efficiency and resiliency benefit of employing the low overhead detector with high frequency within the checkpoint interval, so that timely soft error recovery can take place, resulting in less re-computed work.

Ashraf, Rizwan↗

An evaluation of the state of time synchronization on leadership class supercomputers

We present a detailed examination of time agreement characteristics for nodes within extreme-scale parallel computers. Using a software tool we introduce in this paper, we quantify attributes of clock skew among nodes in three representative high-performance computers sited at three national laboratories. Our measurements detail the statistical properties of time agreement among nodes and how time agreement drifts over typical application execution durations. We discuss the implications of our measurements, why the current state of the field is inadequate, and propose strategies to address observed shortcomings.

97 MATHEMATICS AND COMPUTING↗

The Heterogeneous Integration of Electronic Components

Heterogeneous integration (HI) of electronics components is broadly recognized as a powerful and crucial enabler for the continued growth of computing and communication. From 2010 onwards, the value of HI is increasingly visible in the advanced packaging used in artificial intelligence, high-performance computing, smartphones and communications product implementations. In this Perspective, we argue that HI is crucial to semiconductors and more broadly to the continued evolution of computing and communications. We use leading-edge advanced packaging examples to represent the value, advancements and opportunities for HI. To succeed, it is critical to develop comprehensive HI roadmaps that inform collaborations across the design, manufacturing and reliability spectrum between systems architects, packaging and semiconductor technologists to common goals. Although this article does not provide a full roadmap, we instead detail additional parameters for artificial intelligence, smartphone and other cellular communication devices, and their constituent building blocks including interconnects, power electronics, photonics, thermal management, reliability, modelling and co-design, to foster greater collaboration opportunities among academia, research laboratories and industry.

42 ENGINEERING↗

GeoAI: spatially explicit artificial intelligence techniques for geographic knowledge discovery and beyond

Recent progress in Artificial Intelligence (AI) techniques, the large-scale availability of high-quality data, as well as advances in both hardware and software to efficiently process these data, are transforming a range of fields from computer vision and natural language processing to autonomous driving and healthcare. For example, the availability of high-resolution geographic data and high-performance computing techniques together with deep learning fuel progress in fast and accurate object detection. Recent examples of GeoAI work include the detections of terrain features and densely-distributed building footprints, information extraction from scanned historical maps, semantic classification (e.g. LiDAR point clouds), novel methods for spatial interpolation, and advances in traffic forecasting. Similarly, machine learning and natural language processing are facilitating the extraction of geographic information from unstructured (textual) data, such as news articles and Wikipedia as well as the matching of natural features in multiple gazetteers.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Grid Optimization Lawrence Livermore Nonlinear Programming

Modelling and solution library for security-constrained AC optimal power flow problems that uses nonlinear programming methods (interior-point methods) and solvers (Ipopt, HiOp). The code is written in C++ and provides parallel computing capabilities in the form of task parallelism (solving contingency problems in parallel). Code can run on a variety of commodity high-performance computing.

Petra, CosminG↗

Report on the Tin-II Thermal Neutron Detector

Thermal neutrons have recently become a concern in the semiconductor community where it has been reported that approximately 20% of the single-event upsets are due to thermal neutrons in some devices. The goal of this project is to measure the intensity of thermal neutrons in the High- Performance Computing (HPC) area. This is part of a larger effort to characterize the radiation environment in the HPC area which includes high-energy neutrons as well as thermal neutrons. To accomplish this goal, we designed and fabricated a neutron detector that is sensitive to thermal neutrons called Tin-II. The Tin-II detector consists of two identical 3He ionization chambers with one detector bare and one detector shielded with cadmium. Because the cadmium shielding effectively blocks the thermal neutrons, the difference in count rates between these two detectors reflect the number of thermal neutrons detected. This report summarizes the status of our efforts to develop this detector.

47 OTHER INSTRUMENTATION↗