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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 19 records

The Minos Computing Library: Efficient Parallel Programming for Extremely Heterogeneous Systems

Hardware specialization has become the silver bullet to achieve efficient high performance, from Systems-on-Chip systems, where hardware specialization can be ``extreme'', to large-scale HPC systems. As the complexity of the systems increases, so does the complexity of programming such architectures in a portable way. This work introduces the Minos Computing Library (MCL), as system software, programming model, and programming model runtime that facilitate programming extremely heterogeneous systems. MCL supports the execution of several multi-threaded applications within the same compute node, performs asynchronous execution of application tasks, efficiently balances computation across hardware resources, and provides performance portability. We show that code developed on a personal desktop automatically scales up to fully utilize powerful workstations with 8 GPUs and down to power-efficient embedded systems. MCL provides up to 17.5x speedup over OpenCL on NVIDIA DGX-1 systems and up to 1.88x speedup on single-GPU systems. In multi-application workloads, MCL dynamically resource allocation provides up to 2.43x performance improvement over manual, static allocation of computing resources.

Gioiosa, Roberto↗

Improvement of parallelization efficiency of batch pattern BP training algorithm using Open MPI

The use of tuned collective's module of Open MPI to improve a parallelization efficiency of parallel batch pattern back propagation training algorithm of a multilayer perceptron is considered in this paper. The multilayer perceptron model and the usual sequential batch pattern training algorithm are theoretically described. An algorithmic description of a parallel version of the batch pattern training method is introduced. The obtained parallelization efficiency results using Open MPI tuned collective's module and MPICH2 are compared. Our results show that (i) Open MPI tuned collective's module outperforms MPICH2 implementation both on SMP computer and computational cluster and (ii) different internal algorithms of MPI_Allreduce() collective operation give better results on different scenarios and different parallel systems. Therefore the properties of the communication network and user application should be taken into account when a specific collective algorithm is used.

97 MATHEMATICS AND COMPUTING↗

Multi-petascale highly efficient parallel supercomputer

A Multi-Petascale Highly Efficient Parallel Supercomputer of 100 petaOPS-scale computing, at decreased cost, power and footprint, and that allows for a maximum packaging density of processing nodes from an interconnect point of view. The Supercomputer exploits technological advances in VLSI that enables a computing model where many processors can be integrated into a single Application Specific Integrated Circuit (ASIC). Each ASIC computing node comprises a system-on-chip ASIC utilizing four or more processors integrated into one die, with each having full access to all system resources and enabling adaptive partitioning of the processors to functions such as compute or messaging I/O on an application by application basis, and preferably, enable adaptive partitioning of functions in accordance with various algorithmic phases within an application, or if I/O or other processors are underutilized, then can participate in computation or communication nodes are interconnected by a five dimensional torus network with DMA that optimally maximize the throughput of packet communications between nodes and minimize latency.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Multi-petascale highly efficient parallel supercomputer

A Multi-Petascale Highly Efficient Parallel Supercomputer of 100 petaflop-scale includes node architectures based upon System-On-a-Chip technology, where each processing node comprises a single Application Specific Integrated Circuit (ASIC). The ASIC nodes are interconnected by a five dimensional torus network that optimally maximize the throughput of packet communications between nodes and minimize latency. The network implements collective network and a global asynchronous network that provides global barrier and notification functions. Integrated in the node design include a list-based prefetcher. The memory system implements transaction memory, thread level speculation, and multiversioning cache that improves soft error rate at the same time and supports DMA functionality allowing for parallel processing message-passing.

97 MATHEMATICS AND COMPUTING↗

Theoretically and practically efficient parallel nucleus decomposition

This paper studies the nucleus decomposition problem, which has been shown to be useful in finding dense substructures in graphs. We present a novel parallel algorithm that is efficient both in theory and in practice. Our algorithm achieves a work complexity matching the best sequential algorithm while also having low depth (parallel running time), which significantly improves upon the only existing parallel nucleus decomposition algorithm (Sariyüce et al. , PVLDB 2018). The key to the theoretical efficiency of our algorithm is a new lemma that bounds the amount of work done when peeling cliques from the graph, combined with the use of a theoretically-efficient parallel algorithms for clique listing and bucketing. We introduce several new practical optimizations, including a new multi-level hash table structure to store information on cliques space-efficiently and a technique for traversing this structure cache-efficiently. On a 30-core machine with two-way hyper-threading on real-world graphs, we achieve up to a 55x speedup over the state-of-the-art parallel nucleus decomposition algorithm by Sariyüce et al. , and up to a 40x self-relative parallel speedup. We are able to efficiently compute larger nucleus decompositions than prior work on several million-scale graphs for the first time.

Computer Science↗

EFFICIENT PARALLEL COMPUTATION OF ALL-PAIRS N-BODY ACCELERATION BY DO-LOOP FOLDING

The computational load inside a do loop is equalized by folding the loop appropriately if the amount of load is a linear function of the loop index. Using this idea, we develop an efficient parallel computation scheme of Newtonian all-pairs N-body acceleration vectors with help from OpenMP architecture. Using a consumer PC with a quad-core eight-thread processor, the new parallel scheme runs 4.2-4.9 times faster than a serial computation when the number of particles exceeds a few hundred.

79 ASTRONOMY AND ASTROPHYSICS↗

A computationally efficient parallel Levenberg-Marquardt algorithm for highly parameterized inverse model analyses

Inverse modeling seeks model parameters given a set of observations. However, for practical problems because the number of measurements is often large and the model parameters are also numerous, conventional methods for inverse modeling can be computationally expensive. We have developed a new, computationally-efficient parallel Levenberg-Marquardt method for solving inverse modeling problems with a highly parameterized model space. Levenberg-Marquardt methods require the solution of a linear system of equations which can be prohibitively expensive to compute for moderate to large-scale problems. Our novel method projects the original linear problem down to a Krylov subspace, such that the dimensionality of the problem can be significantly reduced. Furthermore, we store the Krylov subspace computed when using the first damping parameter and recycle the subspace for the subsequent damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved using these computational techniques. We apply this new inverse modeling method to invert for random transmissivity fields in 2D and a random hydraulic conductivity field in 3D. Our algorithm is fast enough to solve for the distributed model parameters (transmissivity) in the model domain. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). By comparing with Levenberg-Marquardt methods using standard linear inversion techniques such as QR or SVD methods, our Levenberg-Marquardt method yields a speed-up ratio on the order of ~10 1 to ~10 2 in a multi-core computational environment. Furthermore, our new inverse modeling method is a powerful tool for characterizing subsurface heterogeneity for moderate- to large-scale problems.

97 MATHEMATICS AND COMPUTING↗

Efficient Parallel Sparse Symmetric Tucker Decomposition for High-Order Tensors

Tensor based methods are receiving renewed attention in recent years due to their prevalence in diverse real-world applications. There is considerable literature on tensor representations and algorithms for tensor decompositions, both for dense and sparse tensors. Many applications in hypergraph analytics, machine learning, psychometry, and signal processing result in tensors that are both sparse and symmetric, making it an important class for further study. Similar to the critical Tensor Times Matrix chain operation (TTMc) in general sparse tensors, the Sparse Symmetric Tensor Times Same Matrix chain (S3TTMc) operation is compute and memory intensive due to high tensor order and the associated factorial explosion in the number of non-zeros. In this work, we present a novel compressed storage format CSS for sparse symmetric tensors, along with an efficient parallel algorithm for the S3TTMc operation. We theoretically establish that S3TTMc on CSS achieves a better memory versus run-time trade-off compared to state-of-the-art implementations. We demonstrate experimental findings that confirm these results and achieve up to 2.9× speedup on synthetic and real datasets.

Shivakumar, Shruti↗

Efficient, Parallel At-scale Correlation Analysis for Atom Probe Tomography on Hybrid Architectures

Atom probe tomography (APT) is a material probing technique that has undergone dramatic improvements in its capability to map individual atoms within a material sample resulting in data files with hundreds of millions of atoms. Understanding the nano-structural features hidden in these massive amounts of atomic data is a crucial analysis task for materials scientists. However, fast analysis capabilities for large APT workloads remains a critical bottleneck. In this paper, we present the design, implementation and detailed performance evaluations of a parallel software capable of efficiently performing extremely time-consuming correlation analyses of massive high density APT data. Starting with shared memory implementations to motivate our design choices, we extend the implementation to hybrid architectures keeping realistic APT workloads in mind. Detailed performance analyses of three different parallel implementations of the software are supported by empirical results on a Cray XC30 and a Cray XC40 architecture. Its usefulness is demonstrated by reducing the turnaround time of an end-to-end APT correlation analysis on 100 millions atoms by three orders of magnitude using 2048 MPI ranks on 1024 nodes (24 cores per node) of a Cray XC30. The software reported here equips material scientists for the first time with a high-speed scalable capability for efficient and timely analyses of massive APT data.

Lu, Hao↗

ExaHDF5: Delivering Efficient Parallel I/O on Exascale Computing Systems

Scientific applications at exascale generate and analyze massive amounts of data. A critical requirement of these applications is the capability to access and manage this data efficiently on exascale systems. As such, parallel I/O, the key technology enables moving data between compute nodes and storage, faces monumental challenges from new applications, memory, and storage architectures considered in the designs of exascale systems. As the storage hierarchy is expanding to include node-local persistent memory, burst buffers, etc., as well as disk-based storage, data movement among these layers must be efficient. Parallel I/O libraries of the future should be capable of handling file sizes of many terabytes and beyond. In this paper, we describe new capabilities we have developed in Hierarchical Data Format version 5 (HDF5), the most popular parallel I/O library for scientific applications. HDF5 is one of the most used libraries at the leadership computing facilities for performing parallel I/O on existing HPC systems. The state-of-the-art features we describe include: Virtual Object Layer (VOL), Data Elevator, asynchronous I/O, full-featured single-writer and multiple-reader (Full SWMR), and parallel querying. In this paper, we introduce these features, their implementations, and the performance and feature benefits to applications and other libraries.

97 MATHEMATICS AND COMPUTING↗

A Work-Efficient Parallel Sparse Matrix-Sparse Vector Multiplication Algorithm

We design and develop a work-efficient multithreaded algorithm for sparse matrix-sparse vector multiplication (SpMSpV) where the matrix, the input vector, and the output vector are all sparse. SpMSpV is an important primitive in the emerging GraphBLAS standard and is the workhorse of many graph algorithms including breadth-first search, bipartite graph matching, and maximal independent set. As thread counts increase, existing multithreaded SpMSpV algorithms can spend more time accessing the sparse matrix data structure than doing arithmetic. Our shared-memory parallel SpMSpV algorithm is work efficient in the sense that its total work is proportional to the number of arithmetic operations required. The key insight is to avoid each thread individually scan the list of matrix columns. Our algorithm is simple to implement and operates on existing column-based sparse matrix formats. It performs well on diverse matrices and vectors with heterogeneous sparsity patterns. A high-performance implementation of the algorithm attains up to 15x speedup on a 24-core Intel Ivy Bridge processor and up to 49x speedup on a 64-core Intel KNL manycore processor. In contrast to implementations of existing algorithms, the performance of our algorithm is sustained on a variety of different input types include matrices representing scale-free and high-diameter graphs.

97 MATHEMATICS AND COMPUTING↗

Efficient Parallelization of Irregular Applications on GPU Architectures

With the enlarging computation capacity of general Graphics Processing Units (GPUs), leveraging GPUs to accelerate parallel applications has become a critical topic in academia and industry. However, a wide range of irregular applications with the computation-/memory-intensive nature cannot easily achieve high GPU utilization. The challenges mainly involve the following aspects: first, data dependence leads to coarse-grained kernel and inefficient parallelism; second, heavy GPU memory usage may cause frequent memory evictions and extra overhead of I/O; third, specific computation patterns produce memory redundancies; last, workload balance and data reusability conjunctly benefit the overall performance, but there may exist a dynamic trade-off between them. Targeting these challenges, this dissertation proposes multiple optimizations to accelerate two real-world applications: many-body correlation functions to simulate nuclear physics in a large-scale scientific system; the other is the eALS-based matrix factorization recommendation system. To accelerate the calculations of many-body correlation functions, this dissertation presents three frameworks in GPU memory management and multi-GPU scheduling. Firstly, an optimized systematic GPU memory management framework, MemHC, utilizes a series of new memory reduction designs in GPU memory allocation, CPU/GPU communications, and GPU memory oversubscription. Secondly, an enhanced multi-GPU scheduling framework, MICCO, particularly by taking both data dimension (e.g., data reuse and data eviction) and computation dimension into account. MICCO designs a heuristic scheduling algorithm and a machine learning-based regression model to generate the optimal settings of a proposed new concept to manage the trade-off. Thirdly, a locality-aware multi-GPU scheduling framework. This scheduler leverages pipeline batch generation with a looking-ahead strategy by building local dependency graphs for memory transfer reduction and better data reuse, achieving up to 79.92% memory cost reduction and 1.67x speedup. To parallelize the eALS-based recommendation system, this dissertation proposes an efficient CPU/GPU heterogeneous recommendation system, HEALS. HEALS employs newly designed architecture-adaptive data formats to achieve load balance and good data locality on CPU and GPU. To mitigate the data dependence, HEALS presents a CPU/GPU collaboration model for both task parallelism and data parallelism with multiple kernel computation optimizations. In summary, this dissertation efficiently accelerates two typical irregular applications on GPUs by building four frameworks, including CPU/GPU collaboration, GPU memory management, and multi-GPU scheduling.

Wang, Qihan↗

An efficient parallel implementation of explicit multirate Runge–Kutta schemes for discontinuous Galerkin computations

Although explicit time integration schemes require small computational efforts per time step, their efficiency is severely restricted by their stability limits. Indeed, the multi-scale nature of some physical processes combined with highly unstructured meshes can lead some elements to impose a severely small stable time step for a global problem. Multirate methods offer a way to increase the global efficiency by gathering grid cells in appropriate groups under local stability conditions. These methods are well suited to the discontinuous Galerkin framework. The parallelization of the multirate strategy is challenging because grid cells have different workloads. The computational cost is different for each sub-time step depending on the elements involved and a classical partitioning strategy is not adequate any more. In this paper, we propose a solution that makes use of multi-constraint mesh partitioning. It tends to minimize the inter-processor communications, while ensuring that the workload is almost equally shared by every computer core at every stage of the algorithm. Particular attention is given to the simplicity of the parallel multirate algorithm while minimizing computational and communication overheads. Our implementation makes use of the MeTiS library for mesh partitioning and the Message Passing Interface for inter-processor communication. Performance analyses for two and three-dimensional practical applications confirm that multirate methods preserve important computational advantages of explicit methods up to a significant number of processors.

97 MATHEMATICS AND COMPUTING↗

Nebo: An efficient, parallel, and portable domain-specific language for numerically solving partial differential equations

This study presents Nebo, a declarative domain-specific language embedded in C++ for discretizing partial differential equations for transport phenomena on multiple architectures. Application programmers use Nebo to write code that appears sequential but can be run in parallel, without editing the code. Currently Nebo supports single-thread execution, multi-thread execution, and many-core (GPU-based) execution. With single-thread execution, Nebo performs on par with code written by domain experts. With multi-thread execution, Nebo can linearly scale (with roughly 90% efficiency) up to 12 cores, compared to its single-thread execution. Moreover, Nebo’s many-core execution can be over 140x faster than its single-thread execution.

97 MATHEMATICS AND COMPUTING↗

An efficient parallel simulation of unsteady blood flows in patient-specific pulmonary artery

Simulation of blood flows in the pulmonary artery provides some insight into certain diseases by examining the relationship between some continuum metrics, eg, the wall shear stress acting on the vascular endothelium, which responds to flow-induced mechanical forces by releasing vasodilators/constrictors. V. Kheyfets, in his previous work, studies numerically a patient-specific pulmonary circulation to show that decreasing wall shear stress is correlated with increasing pulmonary vascular impedance. We develop a scalable parallel algorithm based on domain decomposition methods to investigate an unsteady model with patient-specific pulsatile waveforms as the inlet boundary condition. The unsteady model offers tremendously more information about the dynamic behavior of the flow field, but computationally speaking, the simulation is a lot more expensive since a problem which is similar to the steady-state problem has to be solved many times, and therefore, the traditional sequential approach is not suitable anymore. We show computationally that simulations using the proposed parallel approach with up to 10 000 processor cores can be obtained with much reduced compute time. Finally, this makes the technology potentially usable for the routine study of the dynamic behavior of blood flows in the pulmonary artery, in particular, the changes of the blood flows and the wall shear stress in the spatial and temporal dimensions.

60 APPLIED LIFE SCIENCES↗

An efficient parallel sampling technique for Multivariate Poisson-Lognormal model: Analysis with two crash count datasets

Our study investigates the Multivariate Poisson-lognormal (MVPLN) model that jointly models crash frequency and severity accounting for correlations. The ordinary univariate count models analyze crashes of different severity level separately ignoring the correlations among severity levels. The MVPLN model is capable to incorporate the general correlation structure and takes account of the over dispersion in the data that leads to a superior data fitting. But, the traditional estimation approach for MVPLN model is computationally expensive, which often limits the use of MVPLN model in practice. In this work, a parallel sampling scheme is introduced to improve the original Markov Chain Monte Carlo (MCMC) estimation approach of the MVPLN model, which significantly reduces the model estimation time. Two MVPLN models are developed using the pedestrian vehicle crash data collected in New York City from 2002 to 2006, and the highway-injury data from Washington State (5-year data from 1990 to 1994) The Deviance Information Criteria (DIC) is used to evaluate the model fitting. The estimation results show that the MVPLN models provide a superior fit over univariate Poisson-lognormal (PLN), univariate Poisson, and Negative Binomial models. Moreover, the correlations among the latent effects of different severity levels are found significant in both datasets that justifies the importance of jointly modeling crash frequency and severity accounting for correlations.

97 MATHEMATICS AND COMPUTING↗