Search NASA⌕ Search

SEARCH · Search NASA

Results for “data parallel”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A Blocked Linear Method for Optimizing Large Parameter Sets in Variational Monte Carlo

We present a modification to variational Monte Carlo’s linear method optimization scheme that addresses a critical memory bottleneck while maintaining compatibility with both the traditional ground state variational principle and our recently-introduced variational principle for excited states. For wave function ansatzes with tens of thousands of variables, our modification reduces the required memory per parallel process from tens of gigabytes to hundreds of megabytes, making the methodology a much better fit for modern supercomputer architectures in which data communication and per-process memory consumption are primary concerns. We verify the efficacy of the new optimization scheme in small molecule tests involving both the Hilbert space Jastrow antisymmetric geminal power ansatz and real space multi-Slater Jastrow expansions. Satisfied with its performance, we have added the optimizer to the QMCPACK software package, with which we demonstrate on a hydrogen ring a prototype approach for making systematically convergent, non-perturbative predictions of Mott-insulators’ optical band gaps.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Extension of structure-reactivity correlations for the hydrogen abstraction reaction by bromine atom and comparison to chlorine atom and hydroxyl radical

Recently we presented structure-reactivity correlations for the gas-phase ambient-temperature rate constants for hydrogen abstraction from sp 3 -hybridized carbon by chlorine atom and hydroxyl radical (Cl•/HO• + HCR 3 → HCl/HOH + •CR 3 ); the reaction enthalpy effect was represented by the independent variable Δ r H and the polar effect by the independent variables F and R, the Hammett constants for field/inductive and resonance effects. Both these reactions are predominantly exothermic and have early transition states. Here we present a parallel treatment for Br• whose reaction is significantly endothermic with a correspondingly late transition state. In spite of lower expectations because the available data base is less extensive and much more scattered and because long temperature extrapolations are often required, the resulting least-squares fit (log k 298,Br = –0.147 Δ r H –4.32 ΣF –4.28 ΣR –12.38 with r 2 = 0.92) was modestly successful and useful for initial predictions. The coefficient of Δ r H was ~4-fold greater, indicative of the change from an early to a late transition state; meanwhile the sizable coefficients of ΣF and ΣR indicate the persistence of the polar effect. Although the mean unsigned deviation of 0.79 log k 298 units is rather large, it must be considered in the context of a total span of over 15 log units in the data set. Lastly, the major outliers are briefly discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Study of a magnetically driven reconnection platform using ultrafast proton radiography

A novel magnetically driven reconnection platform was created by a pair of U-shaped Cu coils that connect two parallel Cu plates irradiated at a focused laser intensity of ~3 × 10 16 W/cm 2 and characterized using ultrafast proton radiography. The proton data show two prolate voids, each corresponding to the coil current, with an inferred maximum magnitude of 57 ± 4 kA. A center “flasklike” feature was also observed in the proton radiographs. By prescribing electromagnetic fields associated with magnetic reconnection in proton ray tracing simulations, characteristics of this center feature were reproduced. Finally, these results demonstrate the robustness of the laser-driven capacitor coils for generating strong magnetic fields and provide promise of using such coils as a viable platform for studying magnetically driven reconnection in the laboratory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Frog: Asynchronous Graph Processing on GPU with Hybrid Coloring Model

GPUs have been increasingly used to accelerate graph processing for complicated computational problems regarding graph theory. Many parallel graph algorithms adopt the asynchronous computing model to accelerate the iterative convergence. Unfortunately, the consistent asynchronous computing requires locking or atomic operations, leading to significant penalties/overheads when implemented on GPUs. As such, coloring algorithm is adopted to separate the vertices with potential updating conflicts, guaranteeing the consistency/correctness of the parallel processing. Common coloring algorithms, however, may suffer from low parallelism because of a large number of colors generally required for processing a large-scale graph with billions of vertices. We propose a light-weight asynchronous processing framework called Frog with a preprocessing/hybrid coloring model. The fundamental idea is based on Pareto principle (or 80-20 rule) about coloring algorithms as we observed through masses of realworld graph coloring cases. We find that a majority of vertices (about 80%) are colored with only a few colors, such that they can be read and updated in a very high degree of parallelism without violating the sequential consistency. Accordingly, our solution separates the processing of the vertices based on the distribution of colors. In this work, we mainly answer three questions: (1) how to partition the vertices in a sparse graph with maximized parallelism, (2) how to process large-scale graphs that cannot fit into GPU memory, and (3) how to reduce the overhead of data transfers on PCIe while processing each partition. Here, we conduct experiments on real-world data (Amazon, DBLP, YouTube, RoadNet-CA, WikiTalk and Twitter) to evaluate our approach and make comparisons with well-known non-preprocessed (such as Totem, Medusa, MapGraph and Gunrock) and preprocessed (Cusha) approaches, by testing four classical algorithms (BFS, PageRank, SSSP and CC). On all the tested applications and datasets, Frog is able to significantly outperform existing GPU-based graph processing systems except Gunrock and MapGraph. MapGraph gets better performance than Frog when running BFS on RoadNet-CA. The comparison between Gunrock and Frog is inconclusive. Frog can outperform Gunrock more than 1.04X when running PageRank and SSSP, while the advantage of Frog is not obvious when running BFS and CC on some datasets especially for RoadNet-CA.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

GPU-accelerated regularized iterative reconstruction for few-view cone beam CT

Purpose: The present work proposes an iterative reconstruction technique designed for x-ray transmission computed tomography (CT). The main objective is to provide a model-based solution to the cone-beam CT reconstruction problem, yielding accurate low-dose images via few-views acquisitions in clinically acceptable time frames. Methods: The proposed technique combines a modified ordered subsets convex (OSC) algorithm and the total variation minimization (TV) regularization technique and is called OSC-TV. The number of subsets of each OSC iteration follows a reduction pattern in order to ensure the best performance of the regularization method. Considering the high computational cost of the algorithm, it is implemented on a graphics processing unit, using parallelization to accelerate computations. Results: The reconstructions were performed on computer-simulated as well as human pelvic cone-beam CT projection data and image quality was assessed. In terms of convergence and image quality, OSC-TV performs well in reconstruction of low-dose cone-beam CT data obtained via a few-view acquisition protocol. It compares favorably to the few-view TV-regularized projections onto convex sets (POCS-TV) algorithm. It also appears to be a viable alternative to full-dataset filtered backprojection. Execution times are of 1–2 min and are compatible with the typical clinical workflow for nonreal-time applications. Conclusions: Considering the image quality and execution times, this method may be useful for reconstruction of low-dose clinical acquisitions. It may be of particular benefit to patients who undergo multiple acquisitions by reducing the overall imaging radiation dose and associated risks.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials

Confluence of extreme-scale quantum dynamics simulations (i.e. quantum@scale) and cutting-edge x-ray free-electron laser experiments are revolutionizing materials science. An archetypal example is the exciting concept of using picosecond light pulses to control emergent material properties on demand in atomically-thin layered materials. This paper describes efforts to scale our quantum molecular dynamics engine toward the United States' first exaflop/s computer, under an Aurora Early Science Program project named "Metascalable layered material genome". Key algorithmic and computing techniques incorporated are: (1) globally-scalable and locally-fast solvers within a linear-scaling divide-conquer-recombine algorithmic framework; (2) algebraic `BLASification' of computational kernels; and (3) data alignment and loop restructuring, along with register and cache blocking, for enhanced vectorization and efficient memory access. The resulting weak-scaling parallel efficiency was 0.93 on 131,072 Intel Xeon Phi cores for a 56.6 million atom (or 169 million valence-electron) system, whereas the various code transformations achieved 5-fold speedup. The optimized simulation engine allowed us for the first time to establish a significant effect of substrate on the dynamics of layered material upon electronic excitation.

Algebraic BLASification↗
DOE OSTI2023

Demonstrating Cross-Facility Data Processing at Scale with Laue Microdiffraction

In February and April 2023 live, at-scale data processing demonstrations were conducted between the Advanced Photon Source (APS), a synchrotron light source, and the Argonne Leadership Computing Facility (ALCF). These tests were run as part of a novel beamline technique: coded aperture laue micro-diffraction. This technique requires a significant amount of compute to decode appeture patterns embedded in the detector stream. An autonomous system was able to send data to ALCF during an experiment, utilize 50 nodes of the Polaris supercomputer to process 6-12 hour scans, and return the data back to the APS within 12-15 minutes behind the detector. With scan points arriving every 72 seconds, the system kept up with the beamline, potentially enabling in-experiment analysis. The data processing system utilizes Globus infrastructure and an on-demand queue to dynamically acquire nodes on Polaris. The underlying reconstruction algorithms were parallelized via MPI and accelerated with custom CUDA kernels.

Prince, Michael↗
DOE OSTI2021

sycl-reduction benchmark v1.0.0

Some different SYCL implementations of the reduction operation. The parallel reduction kernel aggregates vector elements into a single result. It consists of four ways to implement the reduction operation using two different data management strategies, which we could not find elsewhere as a single package.

Dufek, Amanda↗
DOE OSTI2014

Time-Domain Reflectometry for Tamper Indication in Unattended Monitoring Systems for Safeguards

The International Atomic Energy Agency (IAEA) continues to expand its use of unattended, remotely monitored measurement systems. An increasing number of systems and an expanding family of instruments create challenges in terms of deployment efficiency and the implementation of data authentication measures. Pacific Northwest National Laboratory (PNNL) leads a collaboration that is exploring various tamper-indicating (TI) measures that could help to address some of the long-standing detector and data-transmission authentication challenges with IAEA’s unattended systems. PNNL is investigating the viability of active time-domain reflectometry (TDR) along two parallel but interconnected paths: (1) swept-frequency TDR as the highly flexible, laboratory gold standard to which field-deployable options can be compared, and (2) a low-cost commercially available spread-spectrum TDR technology as one option for field implementation. This report describes PNNL’s progress and preliminary findings from the first year of the study, and describes the path forward.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2015

Motivation and Design of the Sirocco Storage System Version 1.0.

Sirocco is a massively parallel, high performance storage system for the exascale era. It emphasizes client-to-client coordination, low server-side coupling, and free data movement to improve resilience and performance. Its architecture is inspired by peer-to-peer and victim- cache architectures. By leveraging these ideas, Sirocco natively supports several media types, including RAM, flash, disk, and archival storage, with automatic migration between levels. Sirocco also includes storage interfaces and support that are more advanced than typical block storage. Sirocco enables clients to efficiently use key-value storage or block-based storage with the same interface. It also provides several levels of transactional data updates within a single storage command, including full ACID-compliant updates. This transaction support extends to updating several objects within a single transaction. Further support is provided for con- currency control, enabling greater performance for workloads while providing safe concurrent modification. By pioneering these and other technologies and techniques in the storage system, Sirocco is poised to fulfill a need for a massively scalable, write-optimized storage system for exascale systems. This is version 1.0 of a document reflecting the current and planned state of Sirocco. Further versions of this document will be accessible at http://www.cs.sandia.gov/Scalable_IO/ sirocco .

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Advanced Algal Biofoundries for the Production of Polyurethane Precursors

The primary goal of the BEEPs project was to develop a process that could accelerate the development of algae as bioproduction platforms, from initial chemical product concept to an economically viable market supply. Under this program we elected to develop strains of algae that could generate polyurethane precursors, while simultaneously developing basic genetic tools to enable improved algal production systems. This program was specifically designed to incorporate National Laboratories as a means to utilize the expertise and facilities for new bio-production platforms. To that end, we designed a program to collaborate with the Agile BioFoundry at Lawrence Berkeley National Laboratory (LBNL) and computational platforms at Pacific Northwest National Laboratory (PNNL). In addition to these National Laboratory partners, we also had academic partners from UC Davis and Georgia Tech, as well as commercial partners Algenesis Materials and BASF. To achieve these goals, we initially focused on developing the genetic tools and high throughput screening technologies necessary to generate and assess production of polymer precursors (succinic acid) in algae and cyanobacteria, including advanced promoters and biosensors. In parallel, we computationally identified potential production bottlenecks and then used the developed genetic tools to increase production rates and yields. Constant feedback of data was used in conjunction with machine learning, high-throughput cell sorting, and synthetic biology, for additional targeted metabolic engineering. Multiple rounds of tool design, building, testing, and learning were supplied to partners at PNNL and LBNL to develop new models and tools that could expedite bioproduction platform development and increase yield performance. We targeted, and achieved, the FOA requirement yield metric of 20 g/L, as a milestone and deliverable from at least one of our engineered strains for the production of succinic acid.

09 BIOMASS FUELS↗
DOE OSTI2022

The Short Baseline Neutrino Program at Fermilab

The current status of the Short Baseline Neutrino (SBN) project at Fermilab is reviewed. While the installation of SBND is still in progress, ICARUS has taken its first neutrino data on beam:using both the Booster Neutrino Beam (BNB) and the Neutrino at the Main Injector (NuMI) beam.MicroBooNE has presently completed its data taking and is producing the world’s first high statistics results on neutrino Argon interactions, in both inclusive and exclusive channels. In parallel, the unexpected MiniBooNE “low energy excess” is under investigation, to search for sterile neutrinos.The physics potential for sterile neutrino searches at SBN will be outlined, with emphasis on the Neutrino-4 experiment and the possible ICARUS verification of this claim.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

A UPC++ Actor Library and Its Evaluation On a Shallow Water Proxy Application

Programmability is one of the key challenges of Exascale Computing. Using the actor model for distributed computations may be one solution. The actor model separates computation from communication while still enabling their overlap. Each actor possesses specified communication endpoints to publish and receive information. Computations are undertaken based on the data available on these channels. We present a library that implements this programming model using UPC++, a PGAS library, and evaluate three different parallelization strategies, one based on rank-sequential execution, one based on multiple threads in a rank, and one based on OpenMP tasks. In an evaluation of our library using shallow water proxy applications, our solution compares favorably against an earlier implementation based on X10, and a BSP-based approach.

Pöppl, Alexander↗
DOE OSTI2020

Shallow cumuli cover and its uncertainties from ground-based lidar–radar data and sky images

Cloud cover estimates of single-layer shallow cumuli obtained from narrow field-of-view (FOV) lidar–radar and wide-FOV total sky imager (TSI) data are compared over an extended period (2000–2017 summers) at the established United States Atmospheric Radiation Measurement mid-continental Southern Great Plains site. We quantify the impacts of two factors on hourly and sub-hourly cloud cover estimates: (1) instrument-dependent cloud detection and data merging criteria and (2) FOV configuration. Enhanced observations at this site combine the advantages of the ceilometer, micropulse lidar (MPL) and cloud radar in merged data products. Data collected by these three instruments are used to calculate narrow-FOV cloud fraction (CF) as a temporal fraction of cloudy returns within a given period. Sky images provided by TSI are used to calculate the wide-FOV fractional sky cover (FSC) as a fraction of cloudy pixels within a given image. To assess the impact of the first factor on CF obtained from the merged data products, we consider two additional subperiods (2000–2010 and 2011–2017 summers) that mark significant instrumentation and algorithmic advances in the cloud detection and data merging. We demonstrate that CF obtained from ceilometer data alone and FSC obtained from sky images provide the most similar and consistent cloud cover estimates; hourly bias and root-mean-square difference (RMSD) are within 0.04 and 0.12, respectively. However, CF from merged MPL–ceilometer data provides the largest estimates of the multiyear mean cloud cover, about 0.12 (35 %) and 0.08 (24 %) greater than FSC for the first and second subperiods, respectively. CF from merged ceilometer–MPL–radar data has the strongest subperiod dependence with a bias of 0.08 (24 %) compared to FSC for the first subperiod and shows no bias for the second subperiod. The strong period dependence of CF obtained from the combined ceilometer–MPL–radar data is likely results from a change in what sensors are relied on to detect clouds below 3 km. After 2011, the MPL stopped being used for cloud top height detection below 3 km, leaving the radar as the only sensor used in cloud top height retrievals. To quantify the FOV impact, a narrow-FOV FSC is derived from the TSI images. We demonstrate that FOV configuration does not modify the bias but impacts the RMSD (0.1 hourly, 0.15 sub-hourly). In particular, the FOV impact is significant for sub-hourly observations, where 41 % of narrow- and wide-FOV FSC differ by more than 0.1. A new “quick-look” tool is introduced to visualize impacts of these two factors through integration of CF and FSC data with novel TSI-based images of the spatial variability in cloud cover. The influence of cloud field organization, such cloud streets parallel to the wind direction, on narrow- and wide-FOV cloud cover estimates can be visually assessed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

The flush-mounted rail Langmuir probe array designed for the Alcator C-Mod vertical target plate divertor

An array of flush-mounted and toroidally elongated Langmuir probes (henceforth called rail probes) have been specifically designed for the Alcator C-Mod’s vertical target plate divertor and operated over multiple campaigns. The “flush” geometry enables the tungsten electrodes to survive high heat flux conditions in which traditional “proud” tungsten electrodes suffer damage from melting. The toroidally elongated rail-like geometry reduces the influence of sheath expansion, which is an important effect to consider in the design and interpretation of flush-mounted Langmuir probes. The new rail probes successfully operated during C-Mod’s FY2015 and FY2016 experimental campaigns with no evidence of damage, despite being regularly subjected to heat flux densities parallel to the magnetic field exceeding ∼1 GW per square meter for short periods of time. A comparison between rail and proud probe data indicates that sheath expansion effects were successfully mitigated by the rail design, extending the use of these Langmuir probes to incident magnetic field line angles as low as 0.5 degree.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Adaptive Performance-Constrained in Situ Visualization of Atmospheic Simulations

While many parallel visualization tools now provide in situ visualization capabilities, the trend has been to feed such tools with large amounts of unprocessed output data and let them render everything at the highest possible resolution. This leads to an increased run time of simulations that still have to complete within a fixed-length job allocation. In this paper, we tackle the challenge of enabling in situ visualization under performance constraints. Our approach shuffles data across processes according to its content and filters out part of it in order to feed a visualization pipeline with only a reorganized subset of the data produced by the simulation. Our framework leverages fast, generic evaluation procedures to score blocks of data, using information theory, statistics, and linear algebra. It monitors its own performance and adapts dynamically to achieve appropriate visual fidelity within predefined performance constraints. Experiments on the Blue Waters supercomputer with the CM1 simulation show that our approach enables a 5 speedup with respect to the initial visualization pipeline and is able to meet performance constraints.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

INL Senior Project

What did my team set out to accomplish:? Can I put a custom Machine Learning Model on FPGA?? Can I analyze network traffic in real time?? Can a QSFP port be used with an FPGA?? Does a visual representation of the latent space enhance our understanding of network traffic?? What is QSFP QSFP (Quad Small Form-Factor Pluggable)? QSFP supports transfer speeds generally up to 100Gb/s? Runs 4 parallel lines running up to 28 Gb/s? Why the latent space is important to our project ?Latent space is the compressed mapping of data points in a non-linear fashion? Create an understanding of the relationship of data collected? Can represent that relationship of a single network packet in 3 points (X, Y, Z) Project Outline FPGA? Custom Xilinx Petalinux Image for the operating system? Python program to collect packets and run them through the DPU (Data Processing Unit)? The program then sends the information over a socket to a computer? Display Program? Python Program that collects the information sent from the FPGA and display it in a graph

99 GENERAL AND MISCELLANEOUS↗