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At least 109 records · Page 6

Newly Released Capabilities in the Distributed-Memory SuperLU Sparse Direct Solver

We present the new features available in the recent release of SuperLU_DIST, Version 8.1.1. SuperLU_DIST is a distributed-memory parallel sparse direct solver. The new features include (1) a 3D communication-avoiding algorithm framework that trades off inter-process communication for selective memory duplication, (2) multi-GPU support for both NVIDIA GPUs and AMD GPUs, and (3) mixed-precision routines that perform single-precision LU factorization and double-precision iterative refinement. Apart from the algorithm improvements, we also modernized the software build system to use CMake and Spack package installation tools to simplify the installation procedure. Throughout the article, we describe in detail the pertinent performance-sensitive parameters associated with each new algorithmic feature, show how they are exposed to the users, and give general guidance of how to set these parameters. We illustrate that the solver’s performance both in time and memory can be greatly improved after systematic tuning of the parameters, depending on the input sparse matrix and underlying hardware.

97 MATHEMATICS AND COMPUTING↗

Finding MIDDLE Ground: Scalable and Secure Distributed Learning

Edge computing methods allow devices to efficiently train a high-performing, robust, and personalized model for predictive tasks. However, these methods succumb to privacy and scalability concerns such as adversarial data recovery and expensive model communication. Furthermore, edge computing methods unrealistically assume that all devices train an identical model. In practice, edge devices have varying computational and memory constraints which may not allow certain devices to have the space or speed to train a specific model. To overcome these issues, we propose MIDDLE: a model independent distributed learning algorithm which allows heterogeneous edge devices to assist each other’s training while communicating only non-sensitive information. MIDDLE unlocks the ability for edge devices, regardless of computational or memory constraints, to assist each other even with completely different model architectures. Furthermore, MIDDLE does not require model or gradient communication which greatly reduces communication size and time. We prove that MIDDLE attains the optimal convergence rate O(1/sqrt(TM)) of stochastic gradient descent for convex and non-convex smooth optimization (for total iterations T and batch size M). Finally, our experimental results demonstrate that MIDDLE (even in non-IID data settings) attains robust and high-performing models without model or gradient communication.

Bornstein, Marc I.↗

CG-Kit: Code Generation Toolkit for performant and maintainable variants of source code applied to Flash-X hydrodynamics simulations

CG-Kit is a new Code Generation tool-Kit that we have developed as a part of the solution for portability and maintainability for multiphysics computing applications. The development of CG-Kit is rooted in the urgent need created by the shifting landscape of high-performance computing platforms and the algorithmic complexities of a particular large-scale multiphysics application: Flash-X. To efficiently use computing resources on a heterogeneous node, an application must have a map of computation to resources and a mechanism to move the data and computation to the resources according to the map. Most existing performance portability solutions are focussed on abstracting the expression of computations so that a unified source code can be specialized to run on different resources. However, such an approach is insufficient for a code like Flash-X, which has a multitude of code components that can be assembled in various permutations and combinations to form different instances of applications. Similar challenges apply to any code that has composability, where a single specified way of apportioning work among devices may not be optimal. Additionally, use cases arise where the optimal control flow of computation may differ for different devices while the underlying numerics remain identical. This combination leads to unique challenges including handling an existing large code base in Fortran and/or C/C++, subdivision of code into a great variety of units supporting a wide range of physics and numerical methods, different parallelization techniques for distributed and shared memory systems and accelerator devices, and heterogeneity of computing platforms requiring coexisting variants of parallel algorithms. All of these challenges demand that scientific software developers apply existing knowledge about domain applications, algorithms, and computing platforms to determine custom abstractions and granularity for code generation. There is a critical lack of tools to tackle those problems. CG-Kit is designed to fill this gap by providing a user with the ability to express their desired control flow and computation-to-resource map in the form a pseudocode-like recipe. It consists of standalone tools that can be combined into highly specific and, we argue, highly effective portability and maintainability toolchains. Here we present the design of our new tools: parametrized source trees, control flow graphs, and recipes. The tools are implemented in Python. They are agnostic to the programming language of the source code targeted for code generation. In conclusion, we demonstrate the capabilities of the toolkit with two examples, first, multithreaded variants of the basic AXPY operation, and second, variants of parallel algorithms within a hydrodynamics solver, called Spark, from Flash-X that operates on block-structured adaptive meshes.

Algorithmic portability↗

A Hybrid Optimization and Deep Learning Algorithm for Cyber-Resilient DER Control

With the proliferation of distributed energy resources (DERs) in the distribution grid, it is a challenge to effectively control a large number of DERs resilient to the communication and security disruptions, as well as to provide the online grid services, such as voltage regulation and virtual power plant (VPP) dispatch. To this end, a hybrid feedback-based optimization algorithm along with deep learning forecasting technique is proposed to specifically address the cyber-related issues. The online decentralized feedback-based DER optimization control requires timely, accurate voltage measurement from the grid. However, in practice such information may not be received by the control center or even be corrupted. Therefore, the long short-term memory (LSTM) deep learning algorithm is employed to forecast delayed/missed/attacked messages with high accuracy. The IEEE 37-node feeder with high penetration of PV systems is used to validate the efficiency of the proposed hybrid algorithm. The results show that 1) the LSTM-forecasted lost voltage can effectively improve the performance of the DER control algorithm in the practical cyber-physical architecture; and 2) the LSTM forecasting strategy outperforms other strategies of using previous message and skipping dual parameter update.

cyber-resilient algorithm↗

Extreme Scale De Novo Metagenome Assembly

Metagenome assembly is the process of transforming a set of short, overlapping, and potentially erroneous DNA segments from environmental samples into the accurate representation of the underlying microbiomes's genomes. State-of-the-art tools require big shared memory machines and cannot handle contemporary metagenome datasets that exceed Terabytes in size. In this paper, we introduce the MetaHipMer pipeline, a high-quality and high-performance metagenome assembler that employs an iterative de Bruijn graph approach. MetaHipMer leverages a specialized scaffolding algorithm that produces long scaffolds and accommodates the idiosyncrasies of metagenomes. MetaHipMer is end-to-end parallelized using the Unified Parallel C language and therefore can run seamlessly on shared and distributed-memory systems. Experimental results show that MetaHipMer matches or outperforms the state-of-the-art tools in terms of accuracy. Ultimately, MetaHipMer scales efficiently to large concurrencies and is able to assemble previously intractable grand challenge metagenomes. We demonstrate the unprecedented capability of MetaHipMer by computing the first full assembly of the Twitchell Wetlands dataset, consisting of 7.5 billion reads - size 2.6 TBytes.

97 MATHEMATICS AND COMPUTING↗

Are Lock-Free Concurrent Algorithms Practically Wait-Free?

Lock-free concurrent algorithms guarantee that some concurrent operation will always make progress in a finite number of steps. Yet programmers prefer to treat concurrent code as if it were wait-free, guaranteeing that all operations always make progress. Unfortunately, designing wait-free algorithms is generally a very complex task, and the resulting algorithms are not always efficient. Although obtaining efficient wait-free algorithms has been a long-time goal for the theory community, most nonblocking commercial code is only lock-free. This article suggests a simple solution to this problem. We show that for a large class of lock-free algorithms, under scheduling conditions that approximate those found in commercial hardware architectures, lock-free algorithms behave as if they are wait-free. In other words, programmers can continue to design simple lock-free algorithms instead of complex wait-free ones, and in practice, they will get wait-free progress. Our main contribution is a new way of analyzing a general class of lock-free algorithms under a stochastic scheduler. Our analysis relates the individual performance of processes to the global performance of the system using Markov chain lifting between a complex per-process chain and a simpler system progress chain. We show that lock-free algorithms are not only wait-free with probability 1 but that in fact a general subset of lock-free algorithms can be closely bounded in terms of the average number of steps required until an operation completes. Here, to the best of our knowledge, this is the first attempt to analyze progress conditions, typically stated in relation to a worst-case adversary, in a stochastic model capturing their expected asymptotic behavior.

97 MATHEMATICS AND COMPUTING↗

Avoiding Communication in Primal and Dual Block Coordinate Descent Methods

Primal and dual block coordinate descent methods are iterative methods for solving regularized and unregularized optimization problems. Distributed-memory parallel implementations of these methods have become popular in analyzing large machine learning datasets. However, existing implementations communicate at every iteration, which, on modern data center and supercomputing architectures, often dominates the cost of floating-point computation. Recent results on communication-avoiding Krylov subspace methods suggest that large speedups are possible by re-organizing iterative algorithms to avoid communication. We show how applying similar algorithmic transformations can lead to primal and dual block coordinate descent methods that only communicate every $s$ iterations---where $s$ is a tuning parameter---instead of every iteration for the regularized least-squares problem. We show that the communication-avoiding variants reduce the number of synchronizations by a factor of $s$ on distributed-memory parallel machines without altering the convergence rate and attain strong scaling speedups of up to $6.1\times$ over the “standard algorithm" on a Cray XC30 supercomputer.

97 MATHEMATICS AND COMPUTING↗

PLANC: Parallel Low-rank Approximation with Nonnegativity Constraints

In this work, we consider the problem of low-rank approximation of massive dense nonnegative tensor data, for example, to discover latent patterns in video and imaging applications. As the size of data sets grows, single workstations are hitting bottlenecks in both computation time and available memory. We propose a distributed-memory parallel computing solution to handle massive data sets, loading the input data across the memories of multiple nodes, and performing efficient and scalable parallel algorithms to compute the low-rank approximation. We present a software package called Parallel Low-rank Approximation with Nonnegativity Constraints, which implements our solution and allows for extension in terms of data (dense or sparse, matrices or tensors of any order), algorithm (e.g., from multiplicative updating techniques to alternating direction method of multipliers), and architecture (we exploit GPUs to accelerate the computation in this work). We describe our parallel distributions and algorithms, which are careful to avoid unnecessary communication and computation, show how to extend the software to include new algorithms and/or constraints, and report efficiency and scalability results for both synthetic and real-world data sets.

97 MATHEMATICS AND COMPUTING↗

GPU-acceleration of the ELPA2 distributed eigensolver for dense symmetric and hermitian eigenproblems

The solution of eigenproblems is often a key computational bottleneck that limits the tractable system size of numerical algorithms, among them electronic structure theory in chemistry and in condensed matter physics. Large eigenproblems can easily exceed the capacity of a single compute node, thus must be solved on distributed-memory parallel computers. We here present GPU-oriented optimizations of the ELPA two-stage tridiagonalization eigensolver (ELPA2). On top of cuBLAS-based GPU offloading, we add a CUDA kernel to speed up the back-transformation of eigenvectors, which can be the computationally most expensive part of the two-stage tridiagonalization algorithm. Furthermore, we benchmark the performance of this GPU-accelerated eigensolver on two hybrid CPU–GPU architectures, namely a compute cluster based on Intel Xeon Gold CPUs and NVIDIA Volta GPUs, and the Summit supercomputer based on IBM POWER9 CPUs and NVIDIA Volta GPUs. Consistent with previous benchmarks on CPU-only architectures, the GPU-accelerated two-stage solver exhibits a parallel performance superior to the one-stage counterpart. Finally, we demonstrate the performance of the GPU-accelerated eigensolver developed in this work for routine semi-local KS-DFT calculations comprising thousands of atoms.

97 MATHEMATICS AND COMPUTING↗

Parallel Fokker–Planck-DSMC algorithm for rarefied gas flow simulation in complex domains at all Knudsen numbers

A major challenge for the conventional Direct Simulation Monte Carlo (DSMC) technique lies in the fact that its computational cost becomes prohibitive in the near continuum regime, where the Knudsen number (Kn)—characterizing the degree of rarefaction—becomes small. In contrast, the Fokker–Planck (FP) based particle Monte Carlo scheme allows for computationally efficient simulations of rarefied gas flows in the low and intermediate Kn regime. The Fokker–Planck collision operator—instead of performing binary collisions employed by the DSMC method—integrates continuous stochastic processes for the phase space evolution in time. This allows for time step and grid cell sizes larger than the respective collisional scales required by DSMC. Dynamically switching between the FP and the DSMC collision operators in each computational cell is the basis of the combined FP-DSMC method, which has been proven successful in simulating flows covering the whole Kn range. Until recently, this algorithm had only been applied to two-dimensional test cases. In this contribution, we present the first general purpose implementation of the combined FP-DSMC method. Utilizing both shared- and distributed-memory parallelization, this implementation provides the capability for simulations involving many particles and complex geometries by exploiting state of the art computer cluster technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Efficient learning of t -doped stabilizer states with single-copy measurements

One of the primary objectives in the field of quantum state learning is to develop algorithms that are time-efficient for learning states generated from quantum circuits. Earlier investigations have demonstrated time-efficient algorithms for states generated from Clifford circuits with at most log ⁡ ( n ) non-Clifford gates. However, these algorithms necessitate multi-copy measurements, posing implementation challenges in the near term due to the requisite quantum memory. On the contrary, using solely single-qubit measurements in the computational basis is insufficient in learning even the output distribution of a Clifford circuit with one additional T gate under reasonable post-quantum cryptographic assumptions. In this work, we introduce an efficient quantum algorithm that employs only nonadaptive single-copy measurement to learn states produced by Clifford circuits with a maximum of O ( log ⁡ n ) non-Clifford gates, filling a gap between the previous positive and negative results.

Physics↗

Evaluation of Graph Analytics Frameworks Using the GAP Benchmark Suite

The analysis of connected data is an increasingly important application in high-performance computing. Such analyses can reveal fraudulent patterns in financial transactions, optimize telecommunications networks, predict information flow in social networks, etc. However, the landscape of graph analytics is highly diverse. Graph algorithms stress processor architectures differently, and no one graph can represent all topologies. Consequently, no single approach or framework is expected to be optimal for all graph analytics problems. To help make sense of this diverse landscape, we evaluated four approaches to graph analytics: GraphBLAS, Galois, BGL17, GraphIt; and compare them against hand-tuned implementations that take advantage of hardware features on our test platform. Graph- BLAS formulates graph analytics as sparse linear algebra. Galois provides syntactic constructs for data parallelism over irregular data structures. BGL17 is a generic C++ template library for implementing graph algorithms. GraphIt provides a domain- specific language to describe and optimize graph algorithms. We use the GAP Benchmark Suite to establish baseline performance and guide the side-by-side evaluation of each framework. GAP consists of 30 tests: six graph analytics algorithms (breadth- first search, single-source shortest path, PageRank, betweenness centrality, connected components, and triangle counting) run on five graphs, each with different topological characteristics (e.g., high diameter, skewed degree distribution, high average degree). High-performance reference implementations are included for each benchmark algorithm. Because a graph can be loaded into memory a number of ways (e.g., flat file on disk, compressed sparse format, data frames, retrieved from SQL or NoSQL databases), our evaluation focused on computational performance rather than I/O. Our results show the relative strengths of each framework.

Graph algorithms, Benchmarking, shared-memory prog↗

Scaling Deep Learning on GPU and Knights Landing clusters

The speed of deep neural networks training has become a big bottleneck of deep learning research and development. For example, training GoogleNet by ImageNet dataset on one Nvidia K20 GPU needs 21 days. To speed up the training process, the current deep learning systems heavily rely on the hardware accelerators. However, these accelerators have limited on-chip memory compared with CPUs. To handle large datasets, they need to fetch data from either CPU memory or remote processors. We use both self-hosted Intel Knights Landing (KNL) clusters and multi-GPU clusters as our target platforms. From an algorithm aspect, current distributed machine learning systems are mainly designed for cloud systems. These methods are asynchronous because of the slow network and high fault-tolerance requirement on cloud systems. We focus on Elastic Averaging SGD (EASGD) to design algorithms for HPC clusters. Original EASGD used round-robin method for communication and updating. The communication is ordered by the machine rank ID, which is inefficient on HPC clusters. First, we redesign four efficient algorithms for HPC systems to improve EASGD's poor scaling on clusters. Async EASGD, Async MEASGD, and Hogwild EASGD are faster \textcolor{black}{than} their existing counterparts (Async SGD, Async MSGD, and Hogwild SGD, resp.) in all the comparisons. Finally, we design Sync EASGD, which ties for the best performance among all the methods while being deterministic. In addition to the algorithmic improvements, we use some system-algorithm codesign techniques to scale up the algorithms. By reducing the percentage of communication from 87% to 14%, our Sync EASGD achieves 5.3x speedup over original EASGD on the same platform. We get 91.5% weak scaling efficiency on 4253 KNL cores, which is higher than the state-of-the-art implementation.

60 APPLIED LIFE SCIENCES↗

Plasma Science and Innovation Center at Washington, Wisconsin, and Utah State: Final Scientific Report for the University of Wisconsin-Madison

The University of Wisconsin-Madison component of the Plasma Science and Innovation Center (PSI Center) contributed to modeling capabilities and algorithmic efficiency of the Non-Ideal Magnetohydrodynamics with Rotation (NIMROD) Code, which is widely used to model macroscopic dynamics of magnetically confined plasma. It also contributed to the understanding of direct-current (DC) injection of electrical current for initiating and sustaining plasma in three spherical torus experiments: the Helicity Injected Torus-II (HIT-II), the Pegasus Toroidal Experiment, and the National Spherical Torus Experiment (NSTX). The effort was funded through the PSI Center's cooperative agreement with the University of Washington and Utah State University over the period of March 1, 2005 - August 31, 2016. In addition to the computational and physics accomplishments, the Wisconsin effort contributed to the professional education of four graduate students and two postdoctoral research associates. The modeling for HIT-II and Pegasus was directly supported by the cooperative agreement, and contributions to the NSTX modeling were in support of work by Dr. Bickford Hooper, who was funded through a separate grant. Our primary contribution to model development is the implementation of detailed closure relations for collisional plasma. Postdoctoral associate Adam Bayliss implemented the temperature-dependent effects of Braginskii's parallel collisional ion viscosity. As a graduate student, John O'Bryan added runtime options for Braginskii's models and Ji's K2 models of thermal conduction with magnetization effects and thermal equilibration. As a postdoctoral associate, O'Bryan added the magnetization effects for ion viscosity. Another area of model development completed through the PSI-Center is the implementation of Chodura's phenomenological resistivity model. Finally, we investigated and tested linear electron parallel viscosity, leveraged by support from the Center for Extended Magnetohydrodynamic Modeling (CEMM). Work on algorithmic efficiency improved NIMROD's element-based computations. We reordered arrays and eliminated a level of looping for computations over the data points that are used for numerical integration over elements. Moreover, the reordering allows fewer and larger communication calls when using distributed-memory parallel computation, thereby avoiding a data starvation problem that limited parallel scaling over NIMROD's Fourier components for the periodic coordinate. Together with improved parallel preconditioning, work that was supported by CEMM, these developments allowed NIMROD's first scaling to over 10,000 processor cores. Another algorithm improvement supported by the PSI Center is nonlinear numerical diffusivities for implicit advection. We also developed the Stitch code to enhance the flexibility of NIMROD's preprocessing. Our simulations of HIT-II considered conditions with and without fluctuation-induced amplification of poloidal flux, but our validation efforts focused on conditions without amplification. A significant finding is that NIMROD reproduces the dependence of net plasma current as the imposed poloidal flux is varied. The modeling of Pegasus startup from localized DC injectors predicted that development of a tokamak-like configuration occurs through a sequence of current-filament merger events. Comparison of experimentally measured and numerically computed cross-power spectra enhance confidence in NIMROD's simulation of magnetic fluctuations; however, energy confinement remains an open area for further research. Our contributions to the NSTX study include adaptation of the helicity-injection boundary conditions from the HIT-II simulations and support for linear analysis and computation of 3D current-driven instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Trace: a high-throughput tomographic reconstruction engine for large-scale datasets

Abstract Background Modern synchrotron light sources and detectors produce data at such scale and complexity that large-scale computation is required to unleash their full power. One of the widely used imaging techniques that generates data at tens of gigabytes per second is computed tomography (CT). Although CT experiments result in rapid data generation, the analysis and reconstruction of the collected data may require hours or even days of computation time with a medium-sized workstation, which hinders the scientific progress that relies on the results of analysis. Methods We present Trace, a data-intensive computing engine that we have developed to enable high-performance implementation of iterative tomographic reconstruction algorithms for parallel computers. Trace provides fine-grained reconstruction of tomography datasets using both (thread-level) shared memory and (process-level) distributed memory parallelization. Trace utilizes a special data structure called replicated reconstruction object to maximize application performance. We also present the optimizations that we apply to the replicated reconstruction objects and evaluate them using tomography datasets collected at the Advanced Photon Source. Results Our experimental evaluations show that our optimizations and parallelization techniques can provide 158× speedup using 32 compute nodes (384 cores) over a single-core configuration and decrease the end-to-end processing time of a large sinogram (with 4501 × 1 × 22,400 dimensions) from 12.5 h to <5 min per iteration. Conclusion The proposed tomographic reconstruction engine can efficiently process large-scale tomographic data using many compute nodes and minimize reconstruction times.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Enabling Efficient Sparse Computations using Linear Algebra Aware Compilers

This project developed the LAPIS compiler framework, built on the Multilevel Intermediate Representation (MLIR), to optimize sparse linear algebra operations and support performance portability across diverse architectures. The main innovation of LAPIS is the Kokkos dialect, which allows for lowering codes from a high productivity language to different architectures in an elegant way. The dialect also allows the conversion of lower-level MLIR code to C++ Kokkos code, facilitating the integration of scientific machine learning (SciML) models into applications. To extend LAPIS for distributed memory architectures, a new partition dialect was created to manage the distribution of sparse tensors and express communication patterns for sparse linear algebra operations. This dialect also supports the distributed execution of operators and includes algorithmic optimizations to minimize communication to improve performance. The project also demonstrates that MLIR can enable effective linear algebra-level optimizations, improving performance on different GPUs for both sparse and dense linear algebra kernels. Key applications of LAPIS include sparse linear algebra and graph kernels, TenSQL, a relational database management solution built on GraphBLAS, and the development of subgraph isomorphism and monomorphism kernels, showcasing performance portability. In summary, the LAPIS framework supports productivity, performance, portability, and distributed memory execution, while also enabling linear algebra-level optimizations that are challenging in traditional programming languages, with successful applications ranging from simple sparse linear algebra to complex graph kernels.

97 MATHEMATICS AND COMPUTING↗

Parallel algorithms for finding connected components using linear algebra

Finding connected components is one of the most widely used operations on a graph. Optimal serial algorithms for the problem have been known for half a century, and many competing parallel algorithms have been proposed over the last several decades under various different models of parallel computation. This paper presents a class of parallel connected-component algorithms designed using linear-algebraic primitives. These algorithms are based on a PRAM algorithm by Shiloach and Vishkin and can be designed using standard GraphBLAS operations. Here, we demonstrate two algorithms of this class, one named LACC for Linear Algebraic Connected Components, and the other named FastSV which can be regarded as LACC’s simplification. With the support of the highly-scalable Combinatorial BLAS library, LACC and FastSV outperform the previous state-of-the-art algorithm by a factor of up to 12x for small to medium scale graphs. For large graphs with more than 50B edges, LACC and FastSV scale to 4K nodes (262K cores) of a Cray XC40 supercomputer and outperform previous algorithms by a significant margin. This remarkable performance is accomplished by (1) exploiting sparsity that was not present in the original PRAM algorithm formulation, (2) using high-performance primitives of Combinatorial BLAS, and (3) identifying hot spots and optimizing them away by exploiting algorithmic insights.

97 MATHEMATICS AND COMPUTING↗

Distributed-Memory Parallel Symmetric Nonnegative Matrix Factorization

We develop the first distributed-memory parallel implementation of Symmetric Nonnegative Matrix Factorization (SymNMF), a key data analytics kernel for clustering and dimensionality reduction. Our implementation includes two different algorithms for SymNMF, which give comparable results in terms of time and accuracy. The first algorithm is a parallelization of an existing sequential approach that uses solvers for non symmetric NMF. The second algorithm is a novel approach based on the Gauss-Newton method. It exploits second-order information without incurring large computational and memory costs. We evaluate the scalability of our algorithms on the Summit system at Oak Ridge National Laboratory, scaling up to 128 nodes (4,096 cores) with 70% efficiency. Additionally, we demonstrate our software on an image segmentation task.

Eswar, Srinivas↗