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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Bringing OpenCL to Commodity RISC-V CPUs

The importance of open-source hardware has been increasing in recent years with the introduction of the RISC-V Open ISA. This has also accelerated the push for support of the open-source software stack from compiler tools to full-blown operating systems. Parallel computing with today’s Application Programming Interfaces such as OpenCL has proven to be effective at leveraging the parallelism in commodity multi-core processors and programmable parallel accelerators. However, to the best of our knowledge, there is currently no publicly available implementation of OpenCL targeting commodity RISC-V processors that is accessible to the open-source community. Besides opening RISC-V to the existing rich variety of scientific parallel applications, OpenCL also provides access to a unique genre of benchmarks useful in computer architecture research. In this work, we extended an Open-source implementation of OpenCL to target RISC-V CPUs. Our work not only cover commodity multi-core RISC-V processors, but also plethora of low- profile embedded RISC-V CPUs that often do not support atomic instructions or multi-threading.

Tine, Blaise↗
DOE OSTI2018

Coping with silent and fail-stop errors at scale by combining replication and checkpointing

This paper provides a model and an analytical study of replication as a technique to cope with silent errors, as well as a mixture of both silent and fail-stop errors on large-scale platforms. Compared with fail-stop errors that are immediately detected when they occur, silent errors require a detection mechanism. To detect silent errors, many application-specific techniques are available, either based on algorithms (e.g., ABFT), invariant preservation or data analytics, but replication remains the most transparent and least intrusive technique. We explore the right level (duplication, triplication or more) of replication for two frameworks: (i) when the platform is subject to only silent errors, and (ii) when the platform is subject to both silent and fail-stop errors. A higher level of replication is more expensive in terms of resource usage but enables to tolerate more errors and to even correct some errors, hence there is a trade-off to be found. Replication is combined with checkpointing and comes with two flavors: process replication and group replication. Process replication applies to message-passing applications with communicating processes. Each process is replicated, and the platform is composed of process pairs, or triplets. Group replication applies to black-box applications, whose parallel execution is replicated several times. The platform is partitioned into two halves (or three thirds). In both scenarios, results are compared before each checkpoint, which is taken only when both results (duplication) or two out of three results (triplication) coincide. Otherwise, one or more silent errors have been detected, and the application rolls back to the last checkpoint, as well as when fail-stop errors have struck. We provide a detailed analytical study for all of these scenarios, with formulas to decide, for each scenario, the optimal parameters as a function of the error rate, checkpoint cost, and platform size. We also report a set of extensive simulation results that nicely corroborates the analytical model.

Checkpointing↗
DOE OSTI2019

Computational Strategies for Scalable Genomics Analysis

The revolution in next-generation DNA sequencing technologies is leading to explosive data growth in genomics, posing a significant challenge to the computing infrastructure and software algorithms for genomics analysis. Various big data technologies have been explored to scale up/out current bioinformatics solutions to mine the big genomics data. In this review, we survey some of these exciting developments in the applications of parallel distributed computing and special hardware to genomics. We comment on the pros and cons of each strategy in the context of ease of development, robustness, scalability, and efficiency. Although this review is written for an audience from the genomics and bioinformatics fields, it may also be informative for the audience of computer science with interests in genomics applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

A cloud computing approach to massively-parallel distributed stochastic optimization with application to geomechanical reservoir characterization

Many search strategies used to optimize parameters during hydrologic model calibration are inherently limited in that simulations must be performed sequentially in order for the algorithm to converge. As a result, the overall time required to reach a solution increases linearly with the number of steps necessary. In contrast, sampling strategies that attempt to approximate the posterior distribution of the parameters do not require the model simulations to be run in sequence and therefore invite the use of a massively parallel approach across heterogeneous computing environments. We apply a cloud computing methodology to this problem where a head node running on Amazon Web Services continuously produces candidate models that are distributed to arbitrary compute environments to run the simulation, in our case Clemson’s Palmetto cluster computer. Thus the time required to obtain a sufficient number of samples to produce an adequate approximation of the posterior distribution of the parameters is limited by the number of available compute sites. Monte Carlo sampling of the posterior space would be duplicative and inefficient, thus we combine Latin hypercube methods with genetic algorithms to ensure that no large regions of the parameter space are left unexplored, and that high probability regions are investigated thoroughly. We independently assess the fit to different types of data sets without the need to construct a single objective function. Sets of Pareto optimal models are particularly valuable when the quality and information content of data is poorly known or conceptual model errors exist in our simulation. We illustrate our approach for a problem where in situ strain data are used to calibrate the parameters of an oil reservoir in the Avant oil field in Oklahoma. We use well injection and shut-in to stress a deep (500m) confined formation, and observe the geomechanical response using borehole strainmeters installed in the shallow subsurface (30m). These data were then used to calibrate the poroelastic properties of the reservoir and caprock along with the geometry of an elliptic channel associated with the formation. Using our approach we are able to identify issues with model error as well as substantial tradeoffs that occur within the parameters.

inversion, stochastic, geomechanics, poroelastic, ↗
DOE OSTI2022

Fixing Amdahl's Law within the Limits of Accelerated Systems: FALLACY

Closeout report for FALLACY project. The performance of Data Model Convergence Initiative (DMC) applications on parallel machines is far below the limit set by Amdahl’s law. Whether the machine is based on many-core, GPUs, FPGAs, or a heterogeneous combination, usually the most significant bottleneck is accessing data from the memory system. Aligning with DMC’s HW/architecture thrust, this project developed a set of memory-centric tools called ‘MemGaze’ that inform the HW/SW stack about an application’s memory behavior, including data access latency and diagnosing poor data layout and data composition. Our approach uses architectural modeling and analysis of workload data accesses.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Layer-Parallel Training of Deep Residual Neural Networks

Residual neural networks (ResNets) are a promising class of deep neural networks that have shown excellent performance for a number of learning tasks, e.g., image classification and recognition. Mathematically, ResNet architectures can be interpreted as forward Euler discretizations of a nonlinear initial value problem whose time-dependent control variables represent the weights of the neural network. Hence, training a ResNet can be cast as an optimal control problem of the associated dynamical system. For similar time-dependent optimal control problems arising in engineering applications, parallel-in-time methods have shown notable improvements in scalability. This paper demonstrates the use of those techniques for efficient and effective training of ResNets. The proposed algorithms replace the classical (sequential) forward and backward propagation through the network layers with a parallel nonlinear multigrid iteration applied to the layer domain. This adds a new dimension of parallelism across layers that is attractive when training very deep networks. From this basic idea, we derive multiple layer-parallel methods. The most efficient version employs a simultaneous optimization approach where updates to the network parameters are based on inexact gradient information in order to speed up the training process. Finally, using numerical examples from supervised classification, we demonstrate that the new approach achieves a training performance similar to that of traditional methods, but enables layer-parallelism and thus provides speedup over layer-serial methods through greater concurrency.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Compact Ferroelectric Programmable Majority Gate for Compute-in-Memory Applications

In this study, a compact and novel ferroelectric (FE) programmable majority gate is proposed and its novel application in Binary Neural Network (BNNs) is investigated. We demonstrate: i) by integrating N metal-ferroelectric-metal (MFM) capacitors on the gate of a transistor (1T-N-MFM structure), a nonvolatile and programmable majority (MAJ) gate that performs MAJ of AND between the gate input and polarization is realized; ii) validation the functionality of our 3-input MAJ of AND gate through comprehensive theoretical and experimental investigations; iii) a compact implementation of 3-input MAJ of XNOR gate that leverages only five of our 3-input MAJ of AND gates connected in parallel; iv) application of MAJ of XNOR gates to replace the XNOR gates and the first layer of the adder tree in the BNNs for up to 21x area saving on top of eliminating the energy-hungry memory accesses due to the compute-in-memory nature.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

I/O Bottleneck Detection and Tuning: Connecting the Dots using Interactive Log Analysis

Using parallel file systems efficiently is a tricky problem due to inter-dependencies among multiple layers of I/O software, including high-level I/O libraries (HDF5, netCDF, etc.), MPI-IO, POSIX, and file systems (GPFS, Lustre, etc.). Profiling tools such as Darshan collect traces to help understand the I/O performance behavior. However, there are significant gaps in analyzing the collected traces and then applying tuning options offered by various layers of I/O software. Seeking to connect the dots between I/O bottleneck detection and tuning, we propose DXT Explorer, an interactive log analysis tool. In this paper, we present a case study using our interactive log analysis tool to identify and apply various I/O optimizations. We report an evaluation of performance improvement achieved for four I/O kernels extracted from science applications.

Bez, Jean Luca↗
DOE OSTI2020

Nonlinear optical control of chiral charge pumping in a topological Weyl semimetal

Solids with topologically robust electronic states exhibit unusual electronic and optical properties that do not exist in other materials. A particularly interesting example is chiral charge pumping, the so-called chiral anomaly, in recently discovered topological Weyl semimetals, where simultaneous application of parallel DC electric and magnetic fields creates an imbalance in the number of carriers of opposite topological charge (chirality). Here, using time-resolved terahertz measurements on the Weyl semimetal TaAs in a magnetic field, we optically interrogate the chiral anomaly by dynamically pumping the chiral charges and monitoring their subsequent relaxation of the nonequilibrium state. Theory based on Boltzmann transport shows that the observed effects originate from an optical nonlinearity in the chiral charge pumping process. Our measurements reveal that the nonequilibrium chiral excitation relaxation time is much greater than 1 ns. The observation of terahertz-controlled chiral carriers with long coherence times and topological protection suggests the application of Weyl semimetals for quantum optoelectronic technology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Insights From Dayflow: A Historical Streamflow Reanalysis Dataset for the Conterminous United States

Abstract Reconstructed historical streamflow time series can supplement limited streamflow gauge observations. However, there are common challenges of typical modeling approaches: process‐based hydrologic models can be data/computation‐intensive, and statistics‐based models can be region/stream‐specific. Here we present a nationally scalable modeling framework integrating the simulated runoff from the Variable Infiltration Capacity (VIC) model with the Routing Application for Parallel computatIon of Discharge (RAPID) routing model leveraging high‐performance computing. We demonstrate an efficient method of assimilating streamflow at US Geological Survey (USGS) streamflow monitoring sites using a simple hierarchical approach in the VIC‐RAPID framework. The result is a reconstructed 36‐year (1980–2015) daily and monthly streamflow dataset (Dayflow) at ∼2.7 million NHDPlusV2 stream reaches in the conterminous US (CONUS). We perform a comprehensive evaluation at 7,526 USGS sites and characterize their error statistics. The results demonstrate that 49% of the USGS sites demonstrate Kling–Gupta Efficiency (KGE) > 0.5 and 58% of the sites show percentage bias within ±20% for the daily naturalized streamflow. Streamflow data assimilation across CONUS shows an overall improvement over naturalized streamflow, notably in the western semiarid‐to‐arid regions. Comparison to other national and global streamflow reanalysis datasets such as the National Water Model and Global Reach‐scale A priori Discharge Estimates for SWOT demonstrates improved KGE, reduced bias, and directions for Dayflow improvements. Investigations of error statistics with key hydrologic, hydroclimatic, and geomorphologic basin characteristics reveal region‐specific patterns which may help improve future framework applications. Overall, Dayflow may enable a better understanding of hydrologic conditions in a changing environment, especially in locations currently not represented by streamflow monitoring networks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

An exploration of online-simulation-driven portfolio scheduling in Workflow Management Systems

Workflow Management Systems used to automate the execution of scientific workflow applications on parallel and distributed computing platforms must make scheduling decisions at runtime. A large number of workflow scheduling algorithms have been proposed in the literature, but often these algorithms are evaluated based on simplifying assumptions that may not hold in practice. Furthermore, published algorithm evaluation and/or comparison results are necessarily only for a subset of all possible scenarios, and thus may not include scenarios relevant to particular use-cases. Consequently, it is difficult for Workflow Management Systems (WMSs) developers to decide which scheduling algorithm should be implemented. To obviate this difficulty, one possible approach is to implement a portfolio of scheduling algorithms and select the most effective algorithm at runtime. One method for performing this selection is to run an online simulation for each algorithm in the portfolio. The algorithm that leads to the best performance, in simulation, is selected for future use. The above simulation-driven portfolio scheduling (SDPS) approach has been proposed in a few parallel and distributed computing contexts. The main objective of this work is to evaluate the feasibility and potential merit of SDPS if implemented in WMSs. Here we perform this evaluation using simulated WMS executions, where the simulations are instantiated from real-world platform and workflow configurations. Our main finding is that SDPS is on par with or outperforms an approach in which a single algorithm is used, where this algorithm is the one that performs best on average across all our experimental scenarios. Furthermore, we find that SDPS remains an attractive proposition even in the presence of high levels of simulation error and for simulators with relatively low levels of sophistication. In many of our experimental scenarios we find that mitigating simulation error at runtime can further improve performance. Finally, we show that simulation overhead can be made sufficiently low for SDPS to be feasible in practice.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Unraveling the 2021 Central Tennessee flood event using a hierarchical multi-model inundation modeling framework

Flood prediction systems need hierarchical atmospheric, hydrologic, and hydraulic models to predict rainfall, runoff, streamflow, and floodplain inundation. The accuracy of such systems depends on the error propagation through the modeling chain, sensitivity to input data, and choice of models. In this study, we used multiple precipitation forcings (hindcast and forecast) to drive hydrologic and hydrodynamic models to analyze the impacts of various drivers on the estimates of flood inundation depth and extent. We implement this framework to unravel the August 2021 extreme flooding event that occurred in Central Tennessee, USA. We used two radar-based quantitative precipitation estimates (STAGE4 and MRMS) as well as quantitative precipitation forecasts (QPF) from the National Weather Service Weather Prediction Center (WPC) to drive a series of models in the hierarchical framework, including the Variable Infiltration Capacity (VIC) land surface model, the Routing Application for Parallel Computation of Discharge (RAPID) river routing model, and the AutoRoute and TRITON inundation models. An evaluation with observed high-water marks demonstrates that the framework can reasonably simulate flood inundation. Despite the complex error propagation mechanism of the modeling chain, we show that inundation estimates are most sensitive to rainfall estimates. Most notably, QPF significantly underestimates flood magnitudes and inundations leading to unanticipated severe flooding for all stakeholders involved in the event. Finally, we discuss the implications of the hydrodynamic modeling framework for real-time flood forecasting.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The impact of multi-sensor land data assimilation on river discharge estimation

River discharge is one of the most critical renewable water resources. Accurately estimating river discharge with land surface models (LSMs) remains challenging due to the difficulty in estimating land water storages such as snow, soil moisture, and groundwater. While data assimilation (DA) ingesting optical, microwave, and gravity measurements from space can help constrain theses storage states, its impacts on runoff and eventually river discharge are not fully understood. In this study, by taking advantage of recently published land DA results that jointly assimilate eight different combinations of observations from the Moderate Resolution Imaging Spectroradiometer (MODIS), Gravity Recovery and Climate Experiment (GRACE), and Advanced Microwave Scanning Radiometer for EOS (AMSR-E), we quantify to what degree multi-sensor land DA improves the river discharge simulation skills over 40 global river basins, and investigate the complementary strengths of different satellite measurements on river discharge. To be more specific, river discharge is updated by feeding gridded runoff from the eight multi-sensor DA simulations into a vector-based river routing model named the Routing Application for Parallel computatIon of Discharge (RAPID). Our modeling results, including 7-year simulations at 177,458 river reaches globally, are used to study the seasonal to interannual variability of river discharge. It is found that assimilating GRACE has the greatest impact on global runoff patterns, leading to the most pronounced improvements in spatial river discharge in the middle and high latitudes with the R 2 increased by 0.16. The seasonal variation of spatial discharge is most skillful during the boreal summer. However, our evaluation also shows model and DA still struggle to generate reasonable variability and averaged discharge over permafrost regions. Finally, by assessing how different satellites add value to discharge forecasts, this study paves the way for more advanced multi-sensor satellite data assimilation to predict the terrestrial hydrological cycle.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Streamflow in the Columbia River Basin: Quantifying Changes Over the Period 1951-2008 and Determining the Drivers of Those Changes

Trend, detection, and attribution analyses were performed using naturalized streamflow observations and routed land surface model runoff for 10 subbasins in the Columbia River Basin during water years 1951–2008. The Energy Exascale Earth System land-surface model (ELM) version 1.0 and the Routing Application for Parallel computatIon of Discharge (RAPID) routing model were used to conduct semi-factorial simulations driven by multiple sets of bias-corrected forcing data sets. Four main potential drivers, including climate change (CLMT), CO 2 concentration (CO 2 ), nitrogen deposition (NDEP), and land use and land cover change (LULCC), were analyzed during the assessment. All subbasins showed significant (α = 0.10) declines in the observed amount of annual total streamflow, except for the Middle and Upper Snake and Upper Columbia Subbasins. These declines were led by significant decreases in June–October streamflow, which also directly led to significant decreases in peak and summer streamflow. Except for the Snake River Subbasins, LULCC had the same pattern of declines in monthly streamflow, but the period was shifted to May–September. NDEP also had significant trends in June–October; however, rather than decreases, the trends showed significant increases in streamflow. While there were significant trends in CO 2 , NDEP, and LULCC, their signals of change were weak in comparison to the signal in CLMT and the natural internal variability found in streamflow. Overall, the detection and attribution analysis showed that the historical changes found in annual total, center of timing of, and summer mean streamflow could be attributed to changing climate and variability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Preparing sparse solvers for exascale computing

Sparse solvers provide essential functionality for a wide variety of scientific applications. Highly parallel sparse solvers are essential for continuing advances in high-fidelity, multi-physics and multi-scale simulations, especially as we target exascale platforms. This paper describes the challenges, strategies and progress of the US Department of Energy Exascale Computing project towards providing sparse solvers for exascale computing platforms. We address the demands of systems with thousands of high-performance node devices where exposing concurrency, hiding latency and creating alternative algorithms become essential. The efforts described here are works in progress, highlighting current success and upcoming challenges.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Qu8its for quantum simulations of lattice quantum chromodynamics

We explore the utility of d = 8 qudits, qu8its, for quantum simulations of the dynamics of 1+1⁢D SU(3) lattice quantum chromodynamics, including a mapping for arbitrary number of flavors and lattice size and a reorganization of the Hamiltonian for efficient time evolution. Recent advances in parallel gate applications, along with the shorter application times of single-qudit operations compared with two-qudit operations, lead to significant projected advantages in quantum simulation fidelities and circuit depths using qu8its rather than qubits. The number of two-qudit entangling gates required for time evolution using qu8its is found to be more than a factor of 5 fewer than for qubits. Here, we anticipate that the developments presented in this work will enable improved quantum simulations to be performed using emerging quantum hardware.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Modeling pre-Exascale AMR Parallel I/O Workloads via Proxy Applications

The present work investigates the modeling of preexascale input/output (I/O) workloads of Adaptive Mesh Refinement (AMR) simulations through a simple proxy application. We collect data from the AMReX Castro framework running on the Summit supercomputer for a wide range of scales and mesh partitions for the hydrodynamic Sedov case as a baseline to provide sufficient coverage to the formulated proxy model. The non-linear analysis data production rates are quantified as a function of a set of input parameters such as output frequency, grid size, number of levels, and the Courant-Friedrichs-Lewy (CFL) condition number for each rank, mesh level and simulation time step. Linear regression is then applied to formulate a simple analytical model which allows to translate AMReX inputs into MACSio proxy I/O application parameters, resulting in a simple “kernel” approximation for data production at each time step. Results show that MACSio can simulate actual AMReX nonlinear “static” I/O workloads to a certain degree of confidence on the Summit supercomputer using the present methodology. The goal is to provide an initial level of understanding of AMR I/O workloads via lightweight proxy applications models to facilitate autotune data management strategies in anticipation of exascale systems.

Godoy, William↗