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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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At least 145 records · Page 8

Systems and Methods for Transmitting Data Using Parallel Decode Capacity Optimized Symbol Constellations

Transmitters are described that use non-uniformly spaced symbol constellations that have increased capacity compared to conventional constellations. In many embodiments, a transmitter includes a coder configured to receive bits and output encoded bits, a mapper configured to map said encoded bits to symbols in a non-uniform symbol constellation selected from a plurality of symbol constellations, and a modulator configured to generate a signal for transmission via the communication channel using symbols generated by the mapper. In a variety of embodiments, wherein the non-uniform symbol constellation comprises a set of non-uniformly spaced constellation points, and the location points in the non-uniform symbol constellation are chosen to optimize parallel decode capacity of the non-uniform symbol constellation subject to at least one optimization constraint. In many embodiments, the non-uniform symbol constellation is a quadrature amplitude modulation constellation or a phase shift keyed constellation.

Barsoum, Maged F.↗

Improving scalability of parallel CNN training by adaptively adjusting parameter update frequency

Synchronous SGD with data parallelism, the most popular parallelization strategy for CNN training, suffers from the expensive communication cost of averaging gradients among all workers. The iterative parameter updates of SGD cause frequent communications and it becomes the performance bottleneck. In this paper, we propose a lazy parameter update algorithm that adaptively adjusts the parameter update frequency to address the expensive communication cost issue. Our algorithm accumulates the gradients if the difference of the accumulated gradients and the latest gradients is sufficiently small. Here, the less frequent parameter updates reduce the per-iteration communication cost while maintaining the model accuracy. Our experimental results demonstrate that the lazy update method remarkably improves the scalability while maintaining the model accuracy. For ResNet50 training on ImageNet, the proposed algorithm achieves a significantly higher speedup (739.6 on 2048 Cori KNL nodes) as compared to the vanilla synchronous SGD (276.6) while the model accuracy is almost not affected (<0.2% difference).

97 MATHEMATICS AND COMPUTING↗

Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules

Abstract Graph Convolutional Neural Network (GCNN) is a popular class of deep learning (DL) models in material science to predict material properties from the graph representation of molecular structures. Training an accurate and comprehensive GCNN surrogate for molecular design requires large-scale graph datasets and is usually a time-consuming process. Recent advances in GPUs and distributed computing open a path to reduce the computational cost for GCNN training effectively. However, efficient utilization of high performance computing (HPC) resources for training requires simultaneously optimizing large-scale data management and scalable stochastic batched optimization techniques. In this work, we focus on building GCNN models on HPC systems to predict material properties of millions of molecules. We use HydraGNN, our in-house library for large-scale GCNN training, leveraging distributed data parallelism in PyTorch. We use ADIOS, a high-performance data management framework for efficient storage and reading of large molecular graph data. We perform parallel training on two open-source large-scale graph datasets to build a GCNN predictor for an important quantum property known as the HOMO-LUMO gap. We measure the scalability, accuracy, and convergence of our approach on two DOE supercomputers: the Summit supercomputer at the Oak Ridge Leadership Computing Facility (OLCF) and the Perlmutter system at the National Energy Research Scientific Computing Center (NERSC). We present our experimental results with HydraGNN showing (i) reduction of data loading time up to 4.2 times compared with a conventional method and (ii) linear scaling performance for training up to 1024 GPUs on both Summit and Perlmutter.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

PandAna: A Python Analysis Framework for Scalable High Performance Computing in High Energy Physics

Modern experiments in high energy physics analyze millions of events recorded in particle detectors to select the events of interest and make measurements of physics parameters. These data can often be stored as tabular data in files with detector information and reconstructed quantities. Current techniques for event selection in these files lack the scalability needed for high performance computing environments. We describe our work to develop a high energy physics analysis framework suitable for high performance computing. This new framework utilizes modern tools for reading files and implicit data parallelism. Framework users analyze tabular data using standard, easy-to-use data analysis techniques in Python while the framework handles the file manipulations and parallelism without the user needing advanced experience in parallel programming. In future versions, we hope to provide a framework that can be utilized on a personal computer or a high performance computing cluster with little change to the user code.

Groh, Micah↗

The alignment-distribution graph

Implementing a data-parallel language such as Fortran 90 on a distributed-memory parallel computer requires distributing aggregate data objects (such as arrays) among the memory modules attached to the processors. The mapping of objects to the machine determines the amount of residual communication needed to bring operands of parallel operations into alignment with each other. We present a program representation called the alignment distribution graph that makes these communication requirements explicit. We describe the details of the representation, show how to model communication cost in this framework, and outline several algorithms for determining object mappings that approximately minimize residual communication.

Chatterjee, Siddhartha↗

The alignment-distribution graph

Implementing a data-parallel language such as Fortran 90 on a distributed-memory parallel computer requires distributing aggregate data objects (such as arrays) among the memory modules attached to the processors. The mapping of objects to the machine determines the amount of residual communication needed to bring operands of parallel operations into alignment with each other. We present a program representation called the alignment-distribution graph that makes these communication requirements explicit. We describe the details of the representation, show how to model communication cost in this framework, and outline several algorithms for determining object mappings that approximately minimize residual communication.

Chatterjee, Siddhartha↗

Data processor with conditionally supplied clock signals

Parallel data processor clock pulses are conditionally supplied to processing unit in response to relative values of binary bit of control source and binary bit derived on single lead. Use of single lead simplifies fabrication of large-scale integrated networks.

Lesniewski, R. J.↗

An efficient massively parallel Euler solver for unstructured grids

A data parallel mesh-vertex upwind finite-volume scheme for solving the Euler equations on triangular unstructured meshes is described. A novel vertex-based partitioning of the problem is introduced which minimizes the computation and communication costs associated with distributing the computation to the processors of a massively parallel computer. Finally, the performance of this unstructured computation on 8K processors of the Connection Machine CM-2 is compared with one processor of a Cray-YMP. The experiments show that 8K processors of the CM-2 achieve approximately 70 percent of the performance of one processor of the Cray-YMP on the unstructured mesh computations described here.

Hammond, Steven W.↗

Global‐view coefficients: a data management solution for parallel quantum Monte Carlo applications

Summary Quantum Monte Carlo (QMC) applications perform simulation with respect to an initial state of the quantum mechanical system, which is often captured by using a cubic B‐spline basis. This representation is stored as a read‐only table of coefficients and accesses to the table are generated at random as part of the Monte Carlo simulation. Current QMC applications, such as QWalk and QMCPACK, replicate this table at every process or node, which limits scalability because increasing the number of processors does not enable larger systems to be run. We present a partitioned global address space approach to transparently managing this data using Global Arrays in a manner that allows the memory of multiple nodes to be aggregated. We develop an automated data management system that significantly reduces communication overheads, enabling new capabilities for QMC codes. Experimental results with QWalk and QMCPACK demonstrate the effectiveness of the data management system. Copyright © 2016 John Wiley & Sons, Ltd.

Niu, Qingpeng↗

Comprehensive Model of Single Particle Pulverized Coal Combustion Extended to Oxy-Coal Conditions

Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive CFD simulations are valuable tools in evaluating and deploying oxy-fuel and other carbon capture technologies either as retrofit technologies or for new construction. But, accurate predictive simulations require physically realistic submodels with low computational requirements. In particular, comprehensive char oxidation and gasification models have been developed that describe multiple reaction and diffusion processes. Our work extends a comprehensive char conversion code (CCK), which treats surface oxidation and gasification reactions as well as processes such as film diffusion, pore diffusion, ash encapsulation, and annealing. In this work several submodels in the CCK code were updated with more realistic physics or otherwise extended to function in oxy-coal conditions. Improved submodels include the annealing model, the swelling model, the mode of burning parameter, and the kinetic model, as well as the addition of the chemical percolation devolatilization (CPD) model. We compare our results of the char combustion model to oxy-coal data, and further compared to parallel data sets near conventional conditions. A potential method to apply the detailed code in CFD work is given.

01 COAL, LIGNITE, AND PEAT↗

The Case for Strong Scaling in Deep Learning: Training Large 3D CNNs with Hybrid Parallelism

Here, we present scalable hybrid-parallel algorithms for training large-scale 3D convolutional neural networks. Deep learning-based emerging scientific workflows often require model training with large, high-dimensional samples, which can make training much more costly and even infeasible due to excessive memory usage. We solve these challenges by extensively applying hybrid parallelism throughout the end-to-end training pipeline, including both computations and I/O. Our hybrid-parallel algorithm extends the standard data parallelism with spatial parallelism, which partitions a single sample in the spatial domain, realizing strong scaling beyond the mini-batch dimension with a larger aggregated memory capacity. We evaluate our proposed training algorithms with two challenging 3D CNNs, CosmoFlow and 3D U-Net. Our comprehensive performance studies show that good weak and strong scaling can be achieved for both networks using up to 2K GPUs. More importantly, we enable training of CosmoFlow with much larger samples than previously possible, realizing an order-of-magnitude improvement in prediction accuracy.

97 MATHEMATICS AND COMPUTING↗

HydraGNN v3.0

New or improved capabilities included in v3.0 release are as follows: 1. Enhancement in message passing layers through generalization of the class inheritance to enable the inclusion of a broader set of message passing policies Inclusion of equivariant message passing layers from the original implementations of: SchNet (https://pubs.aip.org/aip/jcp/article/148/24/241722/962591/SchNet-A-deep-learning-architecture-for-molecules); DimeNet++ (https://arxiv.org/abs/2011.14115); EGNN models (https://arxiv.org/pdf/2102.09844.pdf) 2. Restructuring of class inheritance for data management 3. Support of DDStore https://github.com/ORNL/DDStore capabilities for improved distributed data parallelism on large volumes of data that cannot fit on intra-node memory capacities 4. Large-scale system support for OLCF-Crusher and OLCF-Frontier

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗

An overview of the Opus language and runtime system

We have recently introduced a new language, called Opus, which provides a set of Fortran language extensions that allow for integrated support of task and data parallelism. lt also provides shared data abstractions (SDA's) as a method for communication and synchronization among these tasks. In this paper, we first provide a brief description of the language features and then focus on both the language-dependent and language-independent parts of the runtime system that support the language. The language-independent portion of the runtime system supports lightweight threads across multiple address spaces, and is built upon existing lightweight thread and communication systems. The language-dependent portion of the runtime system supports conditional invocation of SDA methods and distributed SDA argument handling.

Mehrotra, Piyush↗

Solution of Aeroacoustic Problems by a Nonlinear, Hybrid Method

Category 1, problem 3 (scattering of sound by a sphere) and category 2, problem 1 (spherical source in a cylindrical duct subject to uniform flow) are solved in generalized coordinates using the nonlinear Euler equations together with nonreflecting boundary conditions. A temporally and spatially fourth-order accurate finite-difference, Runge-Kutta time-marching technique is employed for the near-field calculations and a Kirchhoff method is employed for the prediction of far-field sound. Computations are all performed on parallel processors using the data-parallel paradigm.

Oezyoeruek, Yusuf↗

Exploiting Vector and Multicore Parallelsim for Recursive, Data- and Task-Parallel Programs

Modern hardware contains parallel execution resources that are well-suited for data-parallelism-vector units-and task parallelism-multicores. However, most work on parallel scheduling focuses on one type of hardware or the other. In this work, we present a scheduling framework that allows for a unified treatment of task- and data-parallelism. Our key insight is an abstraction, task blocks, that uniformly handles data-parallel iterations and task-parallel tasks, allowing them to be scheduled on vector units or executed independently as multicores. Our framework allows us to define schedulers that can dynamically select between executing task- blocks on vector units or multicores. We show that these schedulers are asymptotically optimal, and deliver the maximum amount of parallelism available in computation trees. To evaluate our schedulers, we develop program transformations that can convert mixed data- and task-parallel pro- grams into task block-based programs. Using a prototype instantiation of our scheduling framework, we show that, on an 8-core system, we can simultaneously exploit vector and multicore parallelism to achieve 14×-108× speedup over sequential baselines.

Ren, Bin↗

Scalable Data-Intensive Geocomputation: A Design for Real-Time Continental Flood Inundation Mapping

The convergence of data-intensive and extreme-scale computing enables an integrated software and data ecosystem for scientific discovery. Developments in this realm will fuel transformative research in data-driven interdisciplinary domains. Geocomputation provides computing paradigms in Geographic Information Systems (GIS) for interactive computing of geographic data, processes, models, and maps. Because GIS is data-driven, the computational scalability of a geocomputation workflow is directly related to the scale of the GIS data layers, their resolution and extent, as well as the velocity of the geo-located data streams to be processed. Unique in high user interactivity and low end-to-end latency requirements, geocomputation applications will dramatically benefit from the convergence of high-end data analytics (HDA) and high-performance computing (HPC). The application level challenge, however, is to identify and eliminate computational bottlenecks that arise along a geocomputation workflow. Indeed, poor scalability at any of the workflow components is detrimental to the entire end-to-end pipeline. Here, we study a large geocomputation use case in flood inundation mapping that handles multiple national-scale geospatial datasets and targets low end-to-end latency. We discuss benefits and challenges for harnessing both HDA and HPC for data-intensive geospatial data processing and intensive numerical modeling of geographic processes. We propose an HDA+HPC geocomputation architecture design that couples HDA (e.g., Spark)-based spatial data handling and HPC-based parallel data modeling. Key techniques for coupling HDA and HPC to bridge the two different software stacks are reviewed and discussed.

Liu, Yan↗