Publications

The objective of this milestone was to finish integrating GenTen tensor software with combustion application Pele using the Ascent in situ analysis software, partnering with the ALPINE and Pele teams. Also, to demonstrate the usage of the tensor analysis as part of a combustion simulation.

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The ExaLearn miniGAN team (Ellis and Rajamanickam) have released miniGAN, a generative adversarial network(GAN) proxy application, through the ECP proxy application suite. miniGAN is the first machine learning proxy application in the suite (note: the ECP CANDLE project did previously release some benchmarks) and models the performance for training generator and discriminator networks. The GAN's generator and discriminator generate plausible 2D/3D maps and identify fake maps, respectively. miniGAN aims to be a proxy application for related applications in cosmology (CosmoFlow, ExaGAN) and wind energy (ExaWind). miniGAN has been developed so that optimized mathematical kernels (e.g., kernels provided by Kokkos Kernels) can be plugged into to the proxy application to explore potential performance improvements. miniGAN has been released as open source software and is available through the ECP proxy application website (https://proxyapps.exascaleproject.ordecp-proxy-appssuite/) and on GitHub (https://github.com/SandiaMLMiniApps/miniGAN). As part of this release, a generator is provided to generate a data set (series of images) that are inputs to the proxy application.

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Triangle counting is a foundational graph-analysis kernel in network science. It has also been one of the challenge problems for the 'Static Graph Challenge'. In this work, we propose a novel, hybrid, parallel triangle counting algorithm based on its linear algebra formulation. Our framework uses MPI and Cilk to exploit the benefits of distributed-memory and shared-memory parallelism, respectively. The problem is partitioned among MPI processes using a two-dimensional (2D) Cartesian block partitioning. One-dimensional (1D) rowwise partitioning is used within the Cartesian blocks for shared-memory parallelism using the Cilk programming model. Besides exhibiting very good strong scaling behavior in almost all tested graphs, our algorithm achieves the fastest time on the 1.4B edge real-world twitter graph, which is 3.217 seconds, on 1,092 cores. In comparison to past distributed-memory parallel winners of the graph challenge, we demonstrate a speed up of 2.7× on this twitter graph. This is also the fastest time reported for parallel triangle counting on the twitter graph when the graph is not replicated.

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Triangle counting is a representative graph analysis algorithm with several applications. It is also one of the three benchmarks used in the IEEE HPEC Graph Challenge. Triangle counting can be expressed as a graph algorithm and in a linear algebra formulation using sparse matrix-matrix multiplication (SpGEMM). The linear algebra formulation using the SpGEMM algorithm in the Kokkoskernels library was one of the fastest implementations for the triangle counting problem in last year's Graph Challenge. This paper improves upon that work by developing an SpGEMM implementation that relies on a highly efficient, work-stealing, multithreaded runtime. We demonstrate that this new implementation results in improving the triangle counting runtime up to 5× to 12× on different architectures. This new implementation also breaks the 10 9 barrier for the rate measure on a single node for the triangle counting problem. We also compare the linear algebra formulation with a traditional graph based formulation. The linear algebra implementation is up to 2.96× to 7× faster on different architectures compared to the graph based implementation. Furthermore, we present analysis of the scaling of the triangle counting implementation as the graph sizes increase using both synthetic and real graphs from the graph challenge data set.

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Architectures with multiple classes of memory media are becoming a common part of mainstream supercomputer deployments. So called multi-level memories offer differing characteristics for each memory component including variation in bandwidth, latency and capacity. This paper investigates the performance of sparse matrix multiplication kernels on two leading highperformance computing architectures — Intel's Knights Landing processor and NVIDIA's Pascal GPU. We describe a data placement method and a chunking-based algorithm for our kernels that exploits the existence of the multiple memory spaces in each hardware platform. We evaluate the performance of these methods w.r.t. standard algorithms using the auto-caching mechanisms Our results show that standard algorithms that exploit cache reuse performed as well as multi-memory-aware algorithms for architectures such as Ki\iLs where the memory subsystems have similar latencies. However, for architectures such as GPUS where memory subsystems differ significantly in both bandwidth and latency, multi-memory-aware methods are crucial for good performance. In addition, our new approaches permit the user to run problems that require larger capacities than the fastest memory of each compute node without depending on the software-managed cache mechanisms.

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Triangle counting serves as a key building block for a set of important graph algorithms in network science. In this paper, we address the IEEE HPEC Static Graph Challenge problem of triangle counting, focusing on obtaining the best parallel performance on a single multicore node. Our implementation uses a linear algebra-based approach to triangle counting that has grown out of work related to our miniTri data analytics miniapplication [1] and our efforts to pose graph algorithms in the language of linear algebra. We leverage KokkosKernels to implement this approach efficiently on multicore architectures. Our performance results are competitive with the fastest known graph traversal-based approaches and are significantly faster than the Graph Challenge reference implementations, up to 670,000 times faster than the C++ reference and 10,000 times faster than the Python reference on a single Intel Haswell node.

The ability to simulate wireless networks at large-scale for meaningful amount of time is considerably lacking in today's network simulators. For this reason, many published work in this area often limit their simulation studies to less than a 1,000 nodes and either over-simplify channel characteristics or perform studies over time scales much less than a day. In this report, we show that one can overcome these limitations and study problems of high practical consequence. This work presents two key contributions to high fidelity simulation of large-scale wireless networks: (a) wireless simulations can be sped up by more than 100X in runtime using ideas from spatial indexing algorithms and clipping of negligible signals and (b) clustering and task-oriented programming paradigm can be used to reduce inter- process communication in a parallel discrete event simulation resulting in a better scaling efficiency.

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The Graph BLAS effort to standardize a set of graph algorithms building blocks in terms of linear algebra primitives promises to deliver high performing graph algorithms and greatly impact the analysis of big data. However, there are challenges with this approach, which our data analytics miniapp miniTri exposes. In this paper, we improve upon a previously proposed task-parallel approach to linear algebra-based miniTri formulation, addressing these challenges and describing a Kokkos/Qthreads task-parallel implementation that performs as well or slightly better than the highly optimized, baseline OpenMP data-parallel implementation.

Driven by the importance of relational aspects of data to decision-making, graph algorithms have been developed, based on simplified pairwise relationships, to solve a variety of problems. However, evidence has shown that hypergraphs - generalizations of graphs with (hyper)edges that connect any number of vertices - can better model complex, non-pairwise relationships in data and lead to better informed decisions. In this work, we compare graph and hypergraph models in the context of spectral clustering. For these problems, we demonstrate that hypergraphs are computationally more efficient and can better model complex, non-pairwise relationships for many datasets.

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This report describes a new capability for hierarchical task-data parallelism using Sandia's Kokkos and Qthreads, and evaluation of this capability with sparse matrix Cholesky factor- ization and social network triangle enumeration mini-applications. Hierarchical task-data parallelism consists of a collection of tasks with executes-after dependences where each task contains data parallel operations performed on a team of hardware threads. The collection of tasks and dependences form a directed acyclic graph of tasks - a task DAG . Major chal- lenges of this research and development effort include: portability and performance across multicore CPU; manycore Intel Xeon Phi, and NVIDIA GPU architectures; scalability with respect to hardware concurrency and size of the task DAG; and usability of the application programmer interface (API).

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It is challenging to obtain scalable HPC performance on real applications, especially for data science applications with irregular memory access and computation patterns. To drive co-design efforts in architecture, system, and application design, we are developing miniapps representative of data science workloads. These in turn stress the state of the art in Graph BLAS-like Graph Algorithm Building Blocks (GABB). In this work, we outline a Graph BLAS-like, linear algebra based approach to miniTri, one such miniapp. We describe a task-based prototype implementation and give initial scalability results.

Numerous applications focus on the analysis of entities and the connections between them, and such data are naturally represented as graphs. In particular, the detection of a small subset of vertices with anomalous coordinated connectivity is of broad interest, for problems such as detecting strange traffic in a computer network or unknown communities in a social network. Eigenspace analysis of large-scale graphs is useful for dimensionality reduction of these large, noisy data sets into a more tractable analysis problem. When performing this sort of analysis across many parallel processes, the data partitioning scheme may have a significant impact on the overall running time. Previous work demonstrated that partitioning based on a sampled subset of edges still yields a substantial improvement in running time. In this work, we study this further, exploring how different sampling strategies, graph community structure, and the vertex degree distribution affect the partitioning quality. We show that sampling is an effective technique when partitioning for data analytics problems with community-like structure.

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Numerous applications focus on the analysis of entities and the connections between them, and such data are naturally represented as graphs. In particular, the detection of a small subset of vertices with anomalous coordinated connectivity is of broad interest, for problems such as detecting strange traffic in a computer network or unknown communities in a social network. These problems become more difficult as the background graph grows larger and noisier and the coordination patterns become more subtle. In this paper, we discuss the computational challenges of a statistical framework designed to address this cross-mission challenge. The statistical framework is based on spectral analysis of the graph data, and three partitioning methods are evaluated for computing the principal eigenvector of the graph's residuals matrix. While a standard one-dimensional partitioning technique enables this computation for up to four billion vertices, the communication overhead prevents this method from being used for even larger graphs. Recent two-dimensional partitioning methods are shown to have much more favorable scaling properties. A data-dependent partitioning method, which has the best scaling performance, is also shown to improve computation time even as a graph changes over time, allowing amortization of the upfront cost.

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The outline of this presentation is: (1) High-level view of Zoltan; (2) Requirements, data models, and interface; (3) Load Balancing and Partitioning; (4) Matrix Ordering, Graph Coloring; (5) Utilities; (6) Isorropia; and (7) Zoltan2.

The objectives of this presentation are: (1) Learn how to partition a problem using Zoltan; (2) Understand the following (a) Basic process of partitioning with Zoltan, (b) Setting Zoltan parameters, (c) Registering query functions, (d) Writing query functions, (e) Zoltan-LB-Partition and its input/output; and (3) Be able to integrate Zoltan into your own applications.

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As computational science applications grow more parallel with multi-core supercomputers having hundreds of thousands of computational cores, it will become increasingly difficult for solvers to scale. Our approach is to use hybrid MPI/threaded numerical algorithms to solve these systems in order to reduce the number of MPI tasks and increase the parallel efficiency of the algorithm. However, we need efficient threaded numerical kernels to run on the multi-core nodes in order to achieve good parallel efficiency. In this paper, we focus on improving the performance of a multithreaded triangular solver, an important kernel for preconditioning. We analyze three factors that affect the parallel performance of this threaded kernel and obtain good scalability on the multi-core nodes for a range of matrix sizes.

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