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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Challenges of Monte Carlo Transport

These are slides from a presentation for Parallel Summer School at Los Alamos National Laboratory. Solving discretized partial differential equations (PDEs) of interest can require a large number of computations. We can identify concurrency to allow parallel solution of discrete PDEs. Simulated particles histories can be used to solve the Boltzmann transport equation. Particle histories are independent in neutral particle transport, making them amenable to parallel computation. Physical parameters and method type determine the data dependencies of particle histories. Data requirements shape parallel algorithms for Monte Carlo. Then, Parallel Computational Physics and Parallel Monte Carlo are discussed and, finally, the results are given. The mesh passing method greatly simplifies the IMC implementation and allows simple load-balancing. Using MPI windows and passive, one-sided RMA further simplifies the implementation by removing target synchronization. The author is very interested in implementations of PGAS that may allow further optimization for one-sided, read-only memory access (e.g. Open SHMEM). The MPICH_RMA_OVER_DMAPP option and library is required to make one-sided messaging scale on Trinitite - Moonlight scales poorly. Interconnect specific libraries or functions are likely necessary to ensure performance. BRANSON has been used to directly compare the current standard method to a proposed method on idealized problems. The mesh passing algorithm performs well on problems that are designed to show the scalability of the particle passing method. BRANSON can now run load-imbalanced, dynamic problems. Potential avenues of improvement in the mesh passing algorithm will be implemented and explored. A suite of test problems that stress DD methods will elucidate a possible path forward for production codes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1993

Parallel-Vector Algorithm For Rapid Structural Anlysis

New algorithm developed to overcome deficiency of skyline storage scheme by use of variable-band storage scheme. Exploits both parallel and vector capabilities of modern high-performance computers. Gives engineers and designers opportunity to include more design variables and constraints during optimization of structures. Enables use of more refined finite-element meshes to obtain improved understanding of complex behaviors of aerospace structures leading to better, safer designs. Not only attractive for current supercomputers but also for next generation of shared-memory supercomputers.

Agarwal, Tarun R.↗
NASA NTRS1986

Computational mechanics - Advances and trends; Proceedings of the Session - Future directions of Computational Mechanics of the ASME Winter Annual Meeting, Anaheim, CA, Dec. 7-12, 1986

The papers contained in this volume provide an overview of the advances made in a number of aspects of computational mechanics, identify some of the anticipated industry needs in this area, discuss the opportunities provided by new hardware and parallel algorithms, and outline some of the current government programs in computational mechanics. Papers are included on advances and trends in parallel algorithms, supercomputers for engineering analysis, material modeling in nonlinear finite-element analysis, the Navier-Stokes computer, and future finite-element software systems.

Noor, Ahmed K.↗
NASA NTRS1978

An alternating direction implicit method for the Control Data STAR-100 vector computer

An implementation of the alternating direction implicit (ADI) method for the Control Data STAR-100 computer is presented and analyzed. Two parallel algorithms, both of which are most efficient when used to solve many independent tridiagonal systems of equations, are discussed relative to their usefulness in an ADI implementation on the STAR-100 computer. It is shown that it may be desirable to alternate between the parallel algorithms as the direction of implicitness is alternated in order to eliminate the data rearrangement which would otherwise be required. The applicability of the two parallel tridiagonal solvers to several other numerical algorithms is also discussed.

Lambiotte, J. J., Jr.↗
DOE OSTI2018

Scalable Distributed Memory Community Detection Using Vite

Graph clustering, popularly known as community detection, is a fundamental graph operation used in several applications of relevance for network analysis and cybersecurity. Community detection is an operation of partitioning a network into an arbitrary number of “communities” such that each com munity represents a tightly-knit group of nodes with relatively sparser connections to the rest of the nodes in the network. The need to compute clustering on large-scale networks necessitates the development of efficient parallel algorithms capable of exploiting modern parallel architectures. However, due to their irregular and inherently sequential nature, many of the current algorithms for community detection are challenging to parallelize. In response to the 2018 Graph Challenge, we present Vite which is a distributed-memory parallel community detection method. Vite is a parallelization of the algorithmic template provided by a widely-used serial method (Louvain). Alongside, it uses several heuristics aimed at significantly improving parallelism and performance, while preserving output quality. Using the inputs from the 2018 Graph Challenge (static and streaming), we demonstrate superior performance and high quality solutions based on four parallelization heuristics.

community detection↗
NASA NTRS1992

High-resolution turbulent simulations using the Connection Machine-2

The spectral method provides an efficient algorithm for solving the 3D incompressible Navier-Stokes equations in periodic boundaries. Most people, so far, have used vectorized machines, such as the CRAY-2, to implement fast Fourier transformations and time integrations in the spectral calculations. In this paper, new results are presented using the spectral calculations on the Connection Machine-2 with a parallel algorithm. The large memory of the Connection Machine-2 and the parallel algorithm allows, of the first time, to implement a 512-cubed mesh resolution for high Reynolds number flows. The computational speed of the present code is about 30 percent faster than the fastest CRAY-2 simulations with four processors. Parallel machines, such as the Connection Machine-2, will possibly provide new computational power for understanding the intermittency and cascade mechanism in fluid turbulence.

Chen, Shiyi↗
DOE OSTI2015

Utilizing many-core accelerators for halo and center finding within a cosmology simulation

Efficiently finding and computing statistics about “halos” (regions of high density) are essential analysis steps for N-body cosmology simulations. However, in state-of-the-art simulation codes, these analysis operators do not currently take advantage of the shared-memory data-parallelism available on multi-core and many-core architectures. The Hybrid / Hardware Accelerated Cosmology Code (HACC) is designed as an MPI+X code, but the analysis operators are parallelized only among MPI ranks, because of the difficulty in porting different X implementations (e.g., OpenMP, CUDA) across all architectures on which it is run. In this paper, we present portable data-parallel algorithms for several variations of halo finding and halo center finding algorithms. These are implemented with the PISTON component of the VTK-m framework, which uses Nvidia's Thrust library to construct data-parallel algorithms that allow a single implementation to be compiled to multiple backends to target a variety of multi-core and many-core architectures. Finally, we compare the performance of our halo and center finding algorithms against the original HACC implementations on the Moonlight, Stampede, and Titan supercomputers. The portability of Thrust allowed the same code to run efficiently on each of these architectures. On Titan, the performance improvements using our code have enabled halo analysis to be performed on a very large data set (81923 particles across 16,384 nodes of Titan) for which analysis using only the existing CPU algorithms was not feasible.

Sewell, Christopher↗
NASA NTRS1986

Communications oriented programming of parallel iterative solutions of sparse linear systems

Parallel algorithms are developed for a class of scientific computational problems by partitioning the problems into smaller problems which may be solved concurrently. The effectiveness of the resulting parallel solutions is determined by the amount and frequency of communication and synchronization and the extent to which communication can be overlapped with computation. Three different parallel algorithms for solving the same class of problems are presented, and their effectiveness is analyzed from this point of view. The algorithms are programmed using a new programming environment. Run-time statistics and experience obtained from the execution of these programs assist in measuring the effectiveness of these algorithms.

Patrick, M. L.↗
NASA NTRS1988

A parallel householder tridiagonalization stratagem using scattered row decomposition

Householder's method for tridiagonalizing a real symmetric matrix, a major step in evaluating eigenvalues of the matrix, is modified into a parallel algorithm for a concurrent machine of message passing type. Each processor of the concurrent machine has its own CPU, communications control and local memory. Messages are passed through connections between processors. Although the basic algorithm is inherently serial, the computations can be spread over all processors by scattering different rows of the matrix into processors, hence the term 'Scattered Row Decomposition'. The steps in the serial and the parallel algorithms are identified. Expressions for efficiency and speedup are given in terms of problem and machine parameters. For a concurrent machine of ring type interconnection, a selected representative problem of large order exhibits efficiency approaching 66 per cent.

Chang, H. Y.↗
NASA NTRS1997

Parallel Multiscale Algorithms for Astrophysical Fluid Dynamics Simulations

Our goal is to develop software libraries and applications for astrophysical fluid dynamics simulations in multidimensions that will enable us to resolve the large spatial and temporal variations that inevitably arise due to gravity, fronts and microphysical phenomena. The software must run efficiently on parallel computers and be general enough to allow the incorporation of a wide variety of physics. Cosmological structure formation with realistic gas physics is the primary application driver in this work. Accurate simulations of e.g. galaxy formation require a spatial dynamic range (i.e., ratio of system scale to smallest resolved feature) of 104 or more in three dimensions in arbitrary topologies. We take this as our technical requirement. We have achieved, and in fact, surpassed these goals.

Norman, Michael L.↗
NASA NTRS1990

A parallel-vector algorithm for rapid structural analysis on high-performance computers

A fast, accurate Choleski method for the solution of symmetric systems of linear equations is presented. This direct method is based on a variable-band storage scheme and takes advantage of column heights to reduce the number of operations in the Choleski factorization. The method employs parallel computation in the outermost DO-loop and vector computation via the 'loop unrolling' technique in the innermost DO-loop. The method avoids computations with zeros outside the column heights, and as an option, zeros inside the band. The close relationship between Choleski and Gauss elimination methods is examined. The minor changes required to convert the Choleski code to a Gauss code to solve non-positive-definite symmetric systems of equations are identified. The results for two large-scale structural analyses performed on supercomputers, demonstrate the accuracy and speed of the method.

Storaasli, Olaf O.↗
NASA NTRS1990

A parallel-vector algorithm for rapid structural analysis on high-performance computers

A fast, accurate Choleski method for the solution of symmetric systems of linear equations is presented. This direct method is based on a variable-band storage scheme and takes advantage of column heights to reduce the number of operations in the Choleski factorization. The method employs parallel computation in the outermost DO-loop and vector computation via the loop unrolling technique in the innermost DO-loop. The method avoids computations with zeros outside the column heights, and as an option, zeros inside the band. The close relationship between Choleski and Gauss elimination methods is examined. The minor changes required to convert the Choleski code to a Gauss code to solve non-positive-definite symmetric systems of equations are identified. The results for two large scale structural analyses performed on supercomputers, demonstrate the accuracy and speed of the method.

Storaasli, Olaf O.↗
DOE OSTI2024

An Accelerated Clip Algorithm for Unstructured Meshes: A Batch-Driven Approach

The clip technique is a popular method for visualizing complex structures and phenomena within 3D unstructured meshes. Meshes can be clipped by specifying a scalar isovalue to produce an output unstructured mesh with its external surface as the isovalue. Similar to isocontouring, the clipping process relies on scalar data associated with the mesh points, including scalar data generated by implicit functions such as planes, boxes, and spheres, which facilitates the visualization of results interior to the grid. In this paper, we introduce a novel batch-driven parallel algorithm based on a sequential clip algorithm designed for high-quality results in partial volume extraction. Our algorithm comprises five passes, each progressively processing data to generate the resulting clipped unstructured mesh. The novelty lies in the use of fixed-size batches of points and cells, which enable rapid workload trimming and parallel processing, leading to a significantly improved memory footprint and run-time performance compared to the original version. On a 32-core CPU, the proposed batch-driven parallel algorithm demonstrates a run-time speed-up of up to 32.6x and a memory footprint reduction of up to 4.37x compared to the existing sequential algorithm. The software is currently available under an open-source license in the VTK visualization system.

Tsalikis, Spiros↗
DOE OSTI2023

Exploring temporal community evolution: algorithmic approaches and parallel optimization for dynamic community detection

Abstract Dynamic (temporal) graphs are a convenient mathematical abstraction for many practical complex systems including social contacts, business transactions, and computer communications. Community discovery is an extensively used graph analysis kernel with rich literature for static graphs. However, community discovery in a dynamic setting is challenging for two specific reasons. Firstly, the notion of temporal community lacks a widely accepted formalization, and only limited work exists on understanding how communities emerge over time. Secondly, the added temporal dimension along with the sheer size of modern graph data necessitates new scalable algorithms. In this paper, we investigate how communities evolve over time based on several graph metrics under a temporal formalization. We compare six different algorithmic approaches for dynamic community detection for their quality and runtime. We identify that a vertex-centric (local) optimization method works as efficiently as the classical modularity-based methods. To its advantage, such local computation allows for the efficient design of parallel algorithms without incurring a significant parallel overhead. Based on this insight, we design a shared-memory parallel algorithm DyComPar , which demonstrates between 4 and 18 fold speed-up on a multi-core machine with 20 threads, for several real-world and synthetic graphs from different domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Parallel simulation via SPPARKS of on-lattice kinetic and Metropolis Monte Carlo models for materials processing

Abstract SPPARKS is an open-source parallel simulation code for developing and running various kinds of on-lattice Monte Carlo models at the atomic or meso scales. It can be used to study the properties of solid-state materials as well as model their dynamic evolution during processing. The modular nature of the code allows new models and diagnostic computations to be added without modification to its core functionality, including its parallel algorithms. A variety of models for microstructural evolution (grain growth), solid-state diffusion, thin film deposition, and additive manufacturing (AM) processes are included in the code. SPPARKS can also be used to implement grid-based algorithms such as phase field or cellular automata models, to run either in tandem with a Monte Carlo method or independently. For very large systems such as AM applications, the Stitch I/O library is included, which enables only a small portion of a huge system to be resident in memory. In this paper we describe SPPARKS and its parallel algorithms and performance, explain how new Monte Carlo models can be added, and highlight a variety of applications which have been developed within the code.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Parallel matrix multiplication on the Connection Machine

Matrix multiplication is a computation and communication intensive problem. Six parallel algorithms for matrix multiplication on the Connection Machine are presented and compared with respect to their performance and processor usage. For n by n matrices, the algorithms have theoretical running times of O(n to the 2nd power log n), O(n log n), O(n), and O(log n), and require n, n to the 2nd power, n to the 2nd power, and n to the 3rd power processors, respectively. With careful attention to communication patterns, the theoretically predicted runtimes can indeed be achieved in practice. The parallel algorithms illustrate the tradeoffs between performance, communication cost, and processor usage.

Tichy, Walter F.↗
NASA NTRS1996

Parallelization and Algorithmic Enhancements of High Resolution IRAS Image Construction

The Infrared Astronomical Satellite caried out a nearly complete survey of the infrared sky, and the survey data are important for the study of many astrophysical phenomena. However, many data sets at other wavelengths have higher resolutions than that of the co-added IRAS maps, and high resolution IRAS images are strongly desired both for their own information content and their usefulness in correlation. The HIRES program was developed by the Infrared Processing and Analysis Center (IPAC) to produce high resolution (approx. 1') images from IRAS data using the Maximum Correlation Method (MCM). We describe the port of HIRES to the Intel Paragon, a massively parallel supercomputer, other software developments for mass production of HIRES images, and the IRAS Galaxy Atlas, a project to map the Galactic plane at 60 and 100(micro)m.

Satellite infrared IRAS IRAS maps IRAS images↗