SEARCH · Engineering Papers

Results for “parallel algorithms”

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.

SourceResearch connectionFrom yearThrough year

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

At least 631 records · Page 35

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Exaflops Biomedical Knowledge Graph Analytics

We are motivated by newly proposed methods for mining large-scale corpora of scholarly publications (e.g., full biomedical literature), which consists of tens of millions of papers spanning decades of research. In this setting, analysts seek to discover relationships among concepts. They construct graph representations from annotated text databases and then formulate the relationship-mining problem as an all-pairs shortest paths (APSP) and validate connective paths against curated biomedical knowledge graphs (e.g., Spoke). In this context, we present Coast (Exascale Communication-Optimized All-Pairs Shortest Path) and demonstrate 1.004 EF/s on 9,200 Frontier nodes (73,600 GCDs). We develop hyperbolic performance models (HYPERMOD), which guide optimizations and parametric tuning. The proposed Coast algorithm achieved the memory constant parallel efficiency of 99% in the single-precision tropical semiring. Looking forward, Coast will enable the integration of scholarly corpora like PubMed into the Spoke biomedical knowledge graph.

Kannan, Ramakrishnan {ramki}↗

DOE OSTI2020

Scalable Knowledge Graph Analytics at 136 Petaflop/s

We are motivated by newly proposed methods for data mining large-scale corpora of scholarly publications, such as the full biomedical literature, which may consist of tens of millions of papers spanning decades of research. In this setting, analysts seek to discover how concepts relate to one another. They construct graph representations from annotated text databases and then formulate the relationship-mining problem as one of computing all-pairs shortest paths (APSP), which becomes a significant bottleneck. In this context, we present a new high-performance algorithm and implementation of the Floyd-Warshall algorithm for distributed-memory parallel computers accelerated by GPUs, which we call DSNAPSHOT (Distributed Accelerated Semiring All-Pairs Shortest Path). For our largest experiments, we ran DSNAPSHOT on a connected input graph with millions of vertices using 4, 096nodes (24,576GPUs) of the Oak Ridge National Laboratory's Summit supercomputer system. We find DSNAPSHOT achieves a sustained performance of 136×1015 floating-point operations per second (136petaflop/s) at a parallel efficiency of 90% under weak scaling and, in absolute speed, 70% of the best possible performance given our computation (in the single-precision tropical semiring or “min-plus” algebra). Looking forward, we believe this novel capability will enable the mining of scholarly knowledge corpora when embedded and integrated into artificial intelligence-driven natural language processing workflows at scale.

Kannan, Ramakrishnan {ramki}↗

DOE OSTI2015

Towards Batched Linear Solvers on Accelerated Hardware Platforms

As hardware evolves, an increasingly effective approach to develop energy efficient, high-performance solvers, is to design them to work on many small and independent problems. Indeed, many applications already need this functionality, especially for GPUs, which are known to be currently about four to five times more energy efficient than multicore CPUs for every floating-point operation. In this paper, we describe the development of the main one-sided factorizations: LU, QR, and Cholesky; that are needed for a set of small dense matrices to work in parallel. We refer to such algorithms as batched factorizations. Our approach is based on representing the algorithms as a sequence of batched BLAS routines for GPU-contained execution. Note that this is similar in functionality to the LAPACK and the hybrid MAGMA algorithms for large-matrix factorizations. But it is different from a straightforward approach, whereby each of GPU's symmetric multiprocessors factorizes a single problem at a time. We illustrate how our performance analysis together with the profiling and tracing tools guided the development of batched factorizations to achieve up to 2-fold speedup and 3-fold better energy efficiency compared to our highly optimized batched CPU implementations based on the MKL library on a two-sockets, Intel Sandy Bridge server. Compared to a batched LU factorization featured in the NVIDIA's CUBLAS library for GPUs, we achieves up to 2.5-fold speedup on the K40 GPU.

Haidar, Azzam↗

DOE OSTI2015

Quasi-Optimal Elimination Trees for 2D Grids with Singularities

We construct quasi-optimal elimination trees for 2D finite element meshes with singularities. These trees minimize the complexity of the solution of the discrete system. The computational cost estimates of the elimination process model the execution of the multifrontal algorithms in serial and in parallel shared-memory executions. Since the meshes considered are a subspace of all possible mesh partitions, we call these minimizers quasi-optimal. We minimize the cost functionals using dynamic programming. Finding these minimizers is more computationally expensive than solving the original algebraic system. Nevertheless, from the insights provided by the analysis of the dynamic programming minima, we propose a heuristic construction of the elimination trees that has cost O N e log ⁡ N e , where N e is the number of elements in the mesh. We show that this heuristic ordering has similar computational cost to the quasi-optimal elimination trees found with dynamic programming and outperforms state-of-the-art alternatives in our numerical experiments.

Paszyńska, A.↗

DOE OSTI2024

Numerical eigen-spectrum slicing, accurate orthogonal eigen-basis, and mixed-precision eigenvalue refinement using OpenMP data-dependent tasks and accelerator offload

Performing a variety of numerical computations efficiently and, at the same time, in a portable fashion requires both an overarching design followed by a number of implementation strategies. All of these are exemplified below as we present transitioning the PLASMA numerical library from relying on dependence-driven large tasks to achieving utilization of fine grain tasking and offload to hardware accelerators while keeping its core dependence sets: OpenMP source code pragmas and runtime for most system-level functionality and basic low-level numerical kernels provided directly by hardware vendors or open source projects with vendor contributions. We also present new algorithmic methods and their efficient parallel implementations including fine grained tasking for eigen-spectrum slicing and offload for mixed-precision eigenvalue refinement. We provide performance, scaling, and numerical results showing sizable gains over the available solutions from either the open source and vendor-provided packages.

Luszczek, Piotr↗

DOE OSTI2015

Parameter Estimation and Model Validation of Nonlinear Dynamical Networks

In the performance period of this work under a DOE contract, the co-PIs, Philip Gill and Henry Abarbanel, developed new methods for statistical data assimilation for problems of DOE interest, including geophysical and biological problems. This included numerical optimization algorithms for variational principles, new parallel processing Monte Carlo routines for performing the path integrals of statistical data assimilation. These results have been summarized in the monograph: “Predicting the Future: Completing Models of Observed Complex Systems” by Henry Abarbanel, published by Spring-Verlag in June 2013. Additional results and details have appeared in the peer reviewed literature.

42 ENGINEERING↗

DOE OSTI2016

Cross-scale Efficient Tensor Contractions for Coupled Cluster Computations Through Multiple Programming Model Backends

Coupled-cluster methods provide highly accurate models of molecular structure by explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix-matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts to extend the Libtensor framework to work in the distributed memory environment in a scalable and energy efficient manner. We achieve up to 240 speedup compared with the best optimized shared memory implementation. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures, (Cray XC30&XC40, BlueGene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance. Nevertheless, we preserve a uni ed interface to both programming models to maintain the productivity of computational quantum chemists.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2017

Understanding the Hierarchy of Dense Subgraphs in Stationary and Temporally Varying Setting

Graphs are widely used to model relationships in a wide variety of domains such as sociology, bioinformatics, infrastructure, the WWW, to name a few. One of the key observations is that while real-world graphs are often globally sparse, they are locally dense. In other words, the average degree is often quite small (say at most 10 in a million vertex graph), but vertex neighborhoods are often dense. Finding dense subgraphs is a critical aspect of graph mining It has been used for finding communities and spam link farms in web graphs, graph visualization, real-time story identification, DNA motif detection in biological networks, finding correlated genes, epilepsy prediction, finding price value motifs in financial data, graph compression, distance query indexing, and increasing the throughput of social networking site servers. However, most standard formulations of this problem (like clique, quasi-clique, k-densest subgraph) are NP-hard. Furthermore, current dense subgraph finding algorithms usually optimize some objective, and only find a few such subgraphs without providing any structural relations, whereas the goal is rarely to find the "true optimum," but to identify many (if not all) dense substructures, understand their distribution in the graph, and ideally determine relationships among them. In this project, we first aim to devise algorithms and provide 3 implementations with nice visualizations to find the hierarchy between dense subgraphs, and then understand the structure of the hierarchy to gain more insight on the hidden patterns in real-world networks. Another important aspects in graph analysis is the temporal nature of networks. Networks evolve over time and in many applications data arrives at a high velocity, and thus it is important to design algorithms that can process data efficiently. We report three main results towards identifying dense structures in large evolving graphs. First, we will show how the hierarchical connectedness structure can be maintained efficiently, where connectedness is defined by increasing levels of connectivity strength. Next, we present dense structure can be identified in bipartite graphs without building projection graphs. And finally, we present a new method for peeling algorithms This new approach avoids sequential nature of peeling algorithms and is amenable to parallelization, which is crucial for processing high velocity data.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Efficient quadrature rules for finite element discretizations of nonlocal equations

In this paper we design efficient quadrature rules for finite element discretizations of nonlocal diffusion problems with compactly supported kernel functions. Two of the main challenges in nonlocal modeling and simulations are the prohibitive computational cost and the nontrivial implementation of discretization schemes, especially in three-dimensional settings. In this work we circumvent both challenges by introducing a parametrized mollifying function that improves the regularity of the integrand, utilizing an adaptive integration technique, and exploiting parallelization. We first showthat the “mollified” solution converges to the exact one as the mollifying parameter vanishes, then we illustrate the consistency and accuracy of the proposed method on several two- and three-dimensional test cases. Furthermore, we demonstrate the good scaling properties of the parallel implementation of the adaptive algorithm and we compare the proposed method with recently developed techniques for efficient finite element assembly.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Cold Plasma Measurements

We have continued the simulation campaign in support of our ongoing magnetospheric cold plasma research project. This project aims to develop the next-generation particle instruments to measure the properties of the cold particle populations in the Earth’s magnetosphere. For this purpose, simulations have been performed with a Particle-In-Cell (PIC) code called the Curvilinear PIC (CPIC). The code is formulated in curvilinear geometry and couples the standard PIC algorithm with algorithms for the generation and adaptation of the underlaying computational mesh. It conforms to complex objects like spacecraft and it can place more grid points in regions where higher resolution is needed. The code also features a scalable solver based on the multigrid algorithm and it is fully parallelized via domain decomposition and MPI.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Multiplexed photoinjector optimization for high-repetition-rate free-electron lasers

The multiplexing capabilities of superconducting X-ray free-electron lasers (FELs) have gained much attention in recent years. The demanding requirements for photon properties from multiple undulator lines necessitate more flexible beam manipulation techniques to achieve the goal of “beam on demand”. In this paper, we investigate a multiplexed configuration for the photoinjector of high-repetition-rate FELs that aims to simultaneously provide low-emittance electron beams of different charges. A parallel, multi-objective genetic algorithm is implemented for the photoinjector parameter optimization. The proposed configuration could drastically enhance the flexibility of beam manipulation to improve multiplexing capabilities and realize the full potential of the facility.

47 OTHER INSTRUMENTATION↗

DOE OSTI2016

FARGO3D: A NEW GPU-ORIENTED MHD CODE

We present the FARGO3D code, recently publicly released. It is a magnetohydrodynamics code developed with special emphasis on the physics of protoplanetary disks and planet–disk interactions, and parallelized with MPI. The hydrodynamics algorithms are based on finite-difference upwind, dimensionally split methods. The magnetohydrodynamics algorithms consist of the constrained transport method to preserve the divergence-free property of the magnetic field to machine accuracy, coupled to a method of characteristics for the evaluation of electromotive forces and Lorentz forces. Orbital advection is implemented, and an N-body solver is included to simulate planets or stars interacting with the gas. We present our implementation in detail and present a number of widely known tests for comparison purposes. One strength of FARGO3D is that it can run on either graphical processing units (GPUs) or central processing units (CPUs), achieving large speed-up with respect to CPU cores. We describe our implementation choices, which allow a user with no prior knowledge of GPU programming to develop new routines for CPUs, and have them translated automatically for GPUs.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Calculation of Higher Eigenpairs of the Transport Equation Using IRAM Based on Domain Decomposition

The higher eigenpairs of the neutron transport (or diffusion) equation are useful in core flux distribution reconstruction, transient analysis, stability analysis, and loading pattern optimization. There are various methods for the calculation of higher eigenpairs, such as the power iteration method with filtering technique, the Generalized Modified Power Method (GMPM), the power iteration method with innovative boundary conditions for symmetric cores, and Krylov subspace methods. In regard to Krylov subspace methods, the Implicitly Restarted Arnoldi Method (IRAM) and ORTHOMIN were implemented to calculate higher eigenpairs for both transport and diffusion equations. In Warsa's work, however, there was a significant drawback that problems with energy upscatter could not be treated efficiently. In Modak's work, the mode to which his method was likely to converge depended on the shape of initial guess flux, and only one mode could be computed each time, making it impractical for real use. Furthermore, the computational burden for higher eigenpairs is generally much larger than for only the first eigenpair, especially for neutron transport equations. Therefore, the implementation of parallel computation for higher eigenpairs is essential to improve the efficiency, and no such work has been reported in literature so far. In this summary, we propose an innovative method to calculate higher eigenpairs of the neutron transport equation based on high performance computation. In this method, 2D Matrix Method of Characteristic (MMOC) is used to discretize the neutron transport equation; IRAM is used to evaluate higher eigenpairs; spatial domain decomposition is used to realize parallel computation. The highlight of this method is using the MGMD PGMRES (Multi-Group and Multi-Domain coupled Parallel Generalized Minimal Residual Method) algorithm to simultaneously accelerate the upscatter iterations and the inner interface angular fluxes iterations, avoiding the drawback in Warsa's method and the efficiency problem of conventional Jacobi iteration. To the best of our knowledge, our work represents the first application of IRAM based on domain decomposition for higher eigenpairs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Distributed Multi-GPU Community Detection on Exascale Computing Platforms

Community detection is a fundamental operation in graph mining, and by uncovering hidden structures and patterns within complex systems it helps solve fundamental problems pertaining to social networks, such as information diffusion, epidemics, and recommender systems. Scaling graph algorithms for massive networks becomes challenging on modern distributed-memory multi-GPU (Graphics Processing Unit) systems due to limitations such as irregular memory access patterns, load imbalances, higher communication-computation ratios, and cross-platform support. We present a novel algorithm HiPDPL-GPU (Distributed Parallel Louvain) to address these challenges. We conduct experiments involving different partitioning techniques to achieve an optimized performance of HiPDPL-GPU on the two largest supercomputers: Frontier and Summit. Remarkably, HiPDPL-GPU processes a graph with 4.2 billion edges in less than 3 minutes using 1024 GPUs. Qualitatively, the performance of HiPDPL-GPU is similar or better compared to other state-of-the-art CPU- and GPU-based implementations. While prior GPU implementations have predominantly employed CUDA, our first-of-its-kind implementation for community detection is cross-platform, accommodating both AMD and NVIDIA GPUs.

Sattar, Naw Safrin↗

DOE OSTI2020

Rendezvous algorithms for large-scale modeling and simulation

Rendezvous algorithms encode a communication pattern that is useful when processors sending data do not know who the receiving processors should be, or vice versa. The idea is to define an intermediate decomposition where datums from different sending processors can ”rendezvous” to perform a computation, in a manner that both the senders and eventual receivers of the results can identify the appropriate rendezvous processor. Though they were originally designed for interpolating between overlaid grids with independent parallel decompositions (Plimpton et al., 2004), we have recently found rendezvous algorithms useful for a variety of operations in particle- or grid-based simulation codes when running large problems on large numbers of processors. In particular, we show they can perform well when a load-balanced intermediate decomposition is randomized and not spatial, requiring all-to-all communication to move data between processors. In this case rendezvous algorithms leverage the large bisection communication bandwidths which parallel machines provide. We describe how rendezvous algorithms work in a scientific computing context and give specific examples for molecular dynamics and Direct Simulation Monte Carlo codes which result in dramatic performance improvements versus simpler algorithms which do not scale as well. We explain how a generic rendezvous algorithm can be implemented, and also point out similarities with the MapReduce paradigm popularized by Google and Hadoop.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Path-accelerated stochastic molecular dynamics: Parallel-in-time integration using path integrals

Massively parallel computer architectures create new opportunities for the performance of long-time scale molecular dynamics (MD) simulations. Here, we introduce the path-accelerated molecular dynamics method that takes advantage of distributed computing to reduce the wall-clock time of MD simulation via parallelization with respect to stochastic MD time steps. The marginal distribution for the time evolution of a system is expressed in terms of a path integral, enabling the use of path sampling techniques to numerically integrate MD trajectories. By parallelizing the evaluation of the path action with respect to time and by initializing the path configurations from a nonequilibrium distribution, the algorithm enables significant speedups in terms of the length of MD trajectories that can be integrated in a given amount of wall-clock time. The method is demonstrated for Brownian dynamics, although it is generalizable to other stochastic equations of motion including open systems. We apply the method to two simple systems, a harmonic oscillator and a Lennard-Jones liquid, and we show that in comparison to the conventional Euler integration scheme for Brownian dynamics, the new method can reduce the wall-clock time for integrating trajectories of a given length by more than three orders of magnitude in the former system and more than two in the latter. This new method for parallelizing MD in the dimension of time can be trivially combined with algorithms for parallelizing the MD force evaluation to achieve further speedup.

Rosa-Raíces, Jorge L.↗

DOE OSTI2017

PeleC [SWR-17-35]

PeleC is an adaptive-mesh compressible hydrodynamics code for reacting flows. It solves the compressible Navier-Stokes with multispecies transport in a block structured framework. The resulting algorithm is well suited for flows with localized resolution requirements and robust to discontinuities. User controllable refinement crieteria has the potential to result in extremely small numerical dissipation and dispersion, making this code appropriate for both research and applied usage. The code is built on the AMReX library which facilitates hierarchical parallelism and manages distributed memory parallism. PeleC algorithms are implemented to express shared memory parallelism.

Source record↗

DOE OSTI2017

PELEC

Source record↗