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SC19 - Proceedings of the International Conference for High Performance Computing, Networking, Storage, and Analysis

Full Citation in the ACM Digital Library

SESSION: ACM Gordon Bell finalists

  • Alexandros Nikolaos Ziogas
  • Tal Ben-Nun
  • Guillermo Indalecio Fernández
  • Timo Schneider
  • Mathieu Luisier
  • Torsten Hoefler

The computational efficiency of a state of the art ab initio quantum transport (QT) solver, capable of revealing the coupled electrothermal properties of atomically-resolved nano-transistors, has been improved by up to two orders of magnitude through a data centric reorganization of the application. The approach yields coarse- and fine-grained data-movement characteristics that can be used for performance and communication modeling, communication-avoidance, and dataflow transformations. The resulting code has been tuned for two top-6 hybrid supercomputers, reaching a sustained performance of 85.45 Pflop/s on 4,560 nodes of Summit (42.55% of the peak) in double precision, and 90.89 Pflop/s in mixed precision. These computational achievements enable the restructured QT simulator to treat realistic nanoelectronic devices made of more than 10,000 atoms within a 14x shorter duration than the original code needs to handle a system with 1,000 atoms, on the same number of CPUs/GPUs and with the same physical accuracy.

  • Sambit Das
  • Phani Motamarri
  • Vikram Gavini
  • Bruno Turcksin
  • Ying Wai Li
  • Brent Leback

Accurate large-scale first principles calculations based on density functional theory (DFT) in metallic systems are prohibitively expensive due to the asymptotic cubic scaling computational complexity with number of electrons. Using algorithmic advances in employing finite-element discretization for DFT (DFT-FE) in conjunction with efficient computational methodologies and mixed precision strategies, we delay the onset of this cubic scaling by significantly reducing the computational prefactor while increasing the arithmetic intensity and lowering the data movement costs. This has enabled fast, accurate and massively parallel DFT calculations on large-scale metallic systems on both many-core and heterogeneous architectures, with time-to-solution being an order of magnitude faster than state-of-the-art plane-wave DFT codes. We demonstrate an unprecedented sustained performance of 46 PFLOPS (27.8% peak FP64 performance) on a dislocation system in Magnesium containing 105,080 electrons using 3,800 GPU nodes of Summit supercomputer, which is the highest performance to-date among DFT codes.

SESSION: Technical papers: Better data systems via better data structures

  • Jin Zhao
  • Yu Zhang
  • Xiaofei Liao
  • Ligang He
  • Bingsheng He
  • Hai Jin
  • Haikun Liu
  • Yicheng Chen

With the rapidly growing demand of graph processing in the real world, a large number of iterative graph processing jobs run concurrently on the same underlying graph. However, the storage engines of existing graph processing frameworks are mainly designed for running an individual job. Our studies show that they are inefficient when running concurrent jobs due to the redundant data storage and access overhead. To cope with this issue, we develop an efficient storage system, called GraphM. It can be integrated into the existing graph processing systems to efficiently support concurrent iterative graph processing jobs for higher throughput by fully exploiting the similarities of the data accesses between these concurrent jobs. GraphM regularizes the traversing order of the graph partitions for concurrent graph processing jobs by streaming the partitions into the main memory and the Last-Level Cache (LLC) in a common order, and then processes the related jobs concurrently in a novel fine-grained synchronization. In this way, the concurrent jobs share the same graph structure data in the LLC/memory and also the data accesses to the graph, so as to amortize the storage consumption and the data access overhead. To demonstrate the efficiency of GraphM, we plug it into state-of-the-art graph processing systems, including GridGraph, GraphChi, PowerGraph, and Chaos. Experiments results show that GraphM improves the throughput by 1.73~13 times.

  • Hyeongsik Kim
  • Abhisha Bhattacharyya
  • Kemafor Anyanwu

Ontologies have become an increasingly popular semantic layer for integrating multiple heterogeneous datasets. However, significant challenges remain with supporting efficient and scalable processing of queries with data linked with ontologies (ontological queries). Ontological query processing queries requires explicitly defined query patterns be expanded to capture implicit ones, based on available ontology inference axioms. However, in practice such as in the biomedical domain, the complexity of the ontological axioms results in significantly large query expansions which present day query processing infrastructure cannot support. In particular, it remains unclear how to effectively parallelize such queries.

In this paper, we propose data and query transformations that enable inter-operator parallelism of ontological queries on Hadoop platforms. Our transformation techniques exploit ontological axioms, second order data types and operator rewritings to eliminate expensive query substructures for increased parallelizability. Comprehensive experiments conducted on benchmark datasets show up to 25X performance improvement over existing approaches.

  • Wei Zhang
  • Suren Byna
  • Houjun Tang
  • Brody Williams
  • Yong Chen

Scientific applications often store datasets in self-describing data file formats, such as HDF5 and netCDF. Regrettably, to efficiently search the metadata within these files remains challenging due to the sheer size of the datasets. Existing solutions extract the metadata and store it in external database management systems (DBMS) to locate desired data. However, this practice introduces significant overhead and complexity in extraction and querying. In this research, we propose a novel <u>M</u>etadata <u>I</u>ndexing and <u>Q</u>uerying <u>S</u>ervice (MIQS), which removes the external DBMS and utilizes in-memory index to achieve efficient metadata searching. MIQS follows the self-contained data management paradigm and provides portable and schema-free metadata indexing and querying functionalities for self-describing file formats. We have evaluated MIQS with the state-of-the-art MongoDB-based metadata indexing solution. MIQS achieved up to 99% time reduction in index construction and up to 172kx search performance improvement with up to 75% reduction in memory footprint.

SESSION: Technical papers: Computational fluid dynamics

  • Libin Lu
  • Matthew J. Morse
  • Abtin Rahimian
  • Georg Stadler
  • Denis Zorin

High-resolution blood flow simulations have potential for developing better understanding biophysical phenomena at the microscale, such as vasodilation, vasoconstriction and overall vascular resistance. To this end, we present a scalable platform for the simulation of red blood cell (RBC) flows through complex capillaries by modeling the physical system as a viscous fluid with immersed deformable particles. We describe a parallel boundary integral equation solver for general elliptic partial differential equations, which we apply to Stokes flow through blood vessels. We also detail a parallel collision avoiding algorithm to ensure RBCs and the blood vessel remain contact-free. We have scaled our code on Stampede2 at the Texas Advanced Computing Center up to 34,816 cores. Our largest simulation enforces a contact-free state between four billion surface elements and solves for three billion degrees of freedom on one million RBCs and a blood vessel composed from two million patches.

  • Wenqian Dong
  • Jie Liu
  • Zhen Xie
  • Dong Li

The Eulerian fluid simulation is an important HPC application. The neural network has been applied to accelerate it. The current methods that accelerate the fluid simulation with neural networks lack flexibility and generalization. In this paper, we tackle the above limitation and aim to enhance the applicability of neural networks in the Eulerian fluid simulation. We introduce Smart-fluidnet, a framework that automates model generation and application. Given an existing neural network as input, Smart-fluidnet generates multiple neural networks before the simulation to meet the execution time and simulation quality requirement. During the simulation, Smart-fluidnet dynamically switches the neural networks to make best efforts to reach the user's requirement on simulation quality. Evaluating with 20,480 input problems, we show that Smart-fluidnet achieves 1.46x and 590x speedup comparing with a state-of-the-art neural network model and the original fluid simulation respectively on an NVIDIA Titan X Pascal GPU, while providing better simulation quality than the state-of-the-art model.

  • Kiran Ravikumar
  • David Appelhans
  • P. K. Yeung

This paper presents new advances in GPU-driven Fourier pseudo-spectral numerical algorithms, which allow the simulation of turbulent fluid flow at problem sizes beyond the current state of the art. In contrast to several massively parallel petascale systems, the dense nodes of Summit, Sierra, and expected exascale machines can be exploited with coarser MPI decompositions which result in improved MPI all-to-all scaling. An asynchronous batching strategy, combined with the fast hardware connection between the large CPU memory and the fast GPUs allows effective use of the GPUs on problem sizes which are too large to reside in GPU memory. Communication performance is further improved by a hybrid MPI+OpenMP approach. Favorable performance is obtained up to a 184323 problem size on 3072 nodes of Summit, with a GPU to CPU speedup of 4.7 for a 122883 problem size (the largest problem size previously published in turbulence literature).

SESSION: Technical papers: Machine learning training

  • Yang You
  • Jonathan Hseu
  • Chris Ying
  • James Demmel
  • Kurt Keutzer
  • Cho-Jui Hsieh

Large-batch training approaches have enabled researchers to utilize distributed processing and greatly accelerate deep neural networks training. However, there are three problems in current large-batch research: (1) Although RNN approaches like LSTM have been widely used in many applications, current large-batch research is principally focused on CNNs. (2) Even for CNNs, there is no automated technique for extending the batch size beyond 8K. (3) To keep the variance in the gradient expectation constant, theory suggests that a Sqrt Scaling scheme should be used in large-batch training. Unfortunately, there are not many successful applications. In this paper, we propose Dynamic Adaptive-Tuning Engine (DATE) for better large-batch training. DATE achieves a 5.3x average speedup over the baselines for four LSTM-based applications on the same hardware. We finish the ImageNet training with ResNet-50 in two minutes on 1024 v3 TPUs (76.7% top-1 accuracy), which is the fastest version as of June of 2019.

  • Nikoli Dryden
  • Naoya Maruyama
  • Tim Moon
  • Tom Benson
  • Marc Snir
  • Brian Van Essen

Accelerating large-scale CNN training is needed to keep training times reasonable as datasets grow larger and models become more complex. Existing frameworks primarily scale using data-parallelism, but this is limited by the mini-batch size, which cannot grow arbitrarily. We introduce three algorithms that partition channel or filter data to exploit parallelism beyond the sample dimension. Further, they partition the parameters of convolutional layers, replacing global all reduces with segmented allreduces---smaller, concurrent allreduces among disjoint processor sets. These algorithms enable strong scaling, reduced communication overhead, and reduced memory pressure, enabling training of very wide CNNs.

We demonstrate improved strong and weak scaling, including up to 4.1x reductions in training time for residual networks and 4x reductions in allreduce overhead. We also show that wider models provide improved accuracy on ImageNet. We study the current limitations of our algorithms and provide a direction for future optimizations of large-scale deep learning frameworks.

  • Cedric Renggli
  • Saleh Ashkboos
  • Mehdi Aghagolzadeh
  • Dan Alistarh
  • Torsten Hoefler

Applying machine learning techniques to the quickly growing data in science and industry requires highly-scalable algorithms. Large datasets are most commonly processed "data parallel" distributed across many nodes. Each node's contribution to the overall gradient is summed using a global allreduce. This allreduce is the single communication and thus scalability bottleneck for most machine learning workloads. We observe that frequently, many gradient values are (close to) zero, leading to sparse of sparsifyable communications. To exploit this insight, we analyze, design, and implement a set of communication-efficient protocols for sparse input data, in conjunction with efficient machine learning algorithms which can leverage these primitives. Our communication protocols generalize standard collective operations, by allowing processes to contribute arbitrary sparse input data vectors. Our generic communication library, SparCML1, extends MPI to support additional features, such as non-blocking (asynchronous) operations and low-precision data representations. As such, SparCML and its techniques will form the basis of future highly-scalable machine learning frameworks.

SESSION: Technical papers: Cloud scheduling

  • Xiongchao Tang
  • Haojie Wang
  • Xiaosong Ma
  • Nosayba El-Sayed
  • Jidong Zhai
  • Wenguang Chen
  • Ashraf Aboulnaga

Traditional batch job schedulers adopt the Compact-n-Exclusive (CE) strategy, packing processes of a parallel job into as few compute nodes as possible. While CE minimizes inter-node network communication, it often brings self-contention among tasks of a resource-intensive application. Recent studies have used virtual containers to balance CPU utilization and memory capacity across physical nodes, but the imbalance in cache and memory bandwidth usage is still under-investigated.

In this work, we propose Spread-n-Share (SNS): a new batch scheduling strategy that automatically scales resource-bound applications out onto more nodes to alleviate their performance bottleneck, and co-locate jobs in a resource compatible manner. We implement Uberun, a prototype scheduler to validate SNS, considering shared-cache capacity and memory bandwidth as two types of performance-critical shared resources. Experimental results using 12 diverse cluster workloads show that SNS improves the overall system throughput by 19.8% on average over CE, while achieving an average individual job speedup of 1.8%.

  • Heyang Qin
  • Syed Zawad
  • Yanqi Zhou
  • Lei Yang
  • Dongfang Zhao
  • Feng Yan

The success of machine learning has prospered Machine-Learning-as-a-Service (MLaaS) - deploying trained machine learning (ML) models in cloud to provide low latency inference services at scale. To meet latency Service-Level-Objective (SLO), judicious parallelization at both request and operation levels is utterly important. However, existing ML systems (e.g., Tensorflow) and cloud ML serving platforms (e.g., SageMaker) are SLO-agnostic and rely on users to manually configure the parallelism. To provide low latency ML serving, this paper proposes a swift machine learning serving scheduling framework with a novel Region-based Reinforcement Learning (RRL) approach. RRL can efficiently identify the optimal parallelism configuration under different workloads by estimating performance of similar configurations with that of the known ones. We both theoretically and experimentally show that the RRL approach can outperform state-of-the-art approaches by finding near optimal solutions over 8 times faster while reducing inference latency up to 79.0% and reducing SLO violation up to 49.9%.

  • Krishna Giri Narra
  • Zhifeng Lin
  • Mehrdad Kiamari
  • Salman Avestimehr
  • Murali Annavaram

While performing distributed computations in today's cloud-based platforms, execution speed variations among compute nodes can significantly reduce the performance and create bottlenecks like stragglers. Coded computation techniques leverage coding theory to inject computational redundancy and mitigate stragglers in distributed computations. In this paper, we propose a dynamic workload distribution strategy for coded computation called Slack Squeeze Coded Computation (S2C2). S2C2 squeezes the compute slack (i.e., overhead) that is built into the coded computing frameworks by efficiently assigning work for all fast and slow nodes according to their speeds and without needing to re-distribute data. We implement an LSTM-based speed prediction algorithm to predict speeds of compute nodes. We evaluate S2C2 on linear algebraic algorithms, gradient descent, graph ranking, and graph filtering algorithms. We demonstrate 19% to 39% reduction in total computation latency using S2C2 compared to job replication and coded computation. We further show how S2C2 can be applied beyond matrix-vector multiplication.

SESSION: Technical papers: High radix routing

  • Nie McDonald
  • Mikhail Isaev
  • Adriana Flores
  • Al Davis
  • John Kim

In efforts to increase performance and reduce cost, modern low-diameter networks are designed for average case traffic and rely on non-minimal adaptive routing for network load-balancing when adversarial traffic patterns are encountered. Source adaptive routing is the predominant method for adaptive routing even though it presents many deficiencies related to making global decisions based solely on local information. In contrast, incremental adaptive routing, which performs an adaptive decision at every hop, is able to increase throughput and reduce latency by overcoming the deficiencies of source adaptive routing. We present two incremental adaptive routing algorithms for HyperX which are the first to be fully implementable in modern high-radix router architectures and interconnection network protocols. Using cycle accurate simulations of a 4,096 node network, our evaluation shows these algorithms are able to exceed the performance of prior work by as much as 4x with synthetic traffic and 25% with 27-point stencil traffic.

  • Daniele De Sensi
  • Salvatore Di Girolamo
  • Torsten Hoefler

System noise can negatively impact the performance of HPC systems, and the interconnection network is one of the main factors contributing to this problem. To mitigate this effect, adaptive routing sends packets on non-minimal paths if they are less congested. However, while this may mitigate interference caused by congestion, it also generates more traffic since packets traverse additional hops, causing in turn congestion on other applications and on the application itself. In this paper, we first describe how to estimate network noise. By following these guidelines, we show how noise can be reduced by using routing algorithms which select minimal paths with a higher probability. We exploit this knowledge to design an algorithm which changes the probability of selecting minimal paths according to the application characteristics. We validate our solution on microbenchmarks and real-world applications on two systems relying on a Dragonfly interconnection network, showing noise reduction and performance improvement.

  • Md Shafayat Rahman
  • Saptarshi Bhowmik
  • Yevgeniy Ryasnianskiy
  • Xin Yuan
  • Michael Lang

The Dragonfly network has been deployed in the current generation supercomputers and will be used in the next generation supercomputers. The Universal Globally Adaptive Load-balance routing (UGAL) is the state-of-the-art routing scheme for Dragonfly. In this work, we show that the performance of the conventional UGAL can be further improved on many practical Dragonfly networks, especially the ones with a small number of groups, by customizing the paths used in UGAL for each topology. We develop a scheme to compute the custom sets of paths for each topology and compare the performance of our topology-custom UGAL routing (T-UGAL) with conventional UGAL. Our evaluation with different UGAL variations and different topologies demonstrates that by customizing the routes, T-UGAL offers significant improvements over UGAL on many practical Dragonfly networks in terms of both latency when the network is under low load and throughput when the network is under high load.

SESSION: Technical papers: Performance tools

  • Muhammad Aditya Sasongko
  • Milind Chabbi
  • Palwisha Akhtar
  • Didem Unat

Inter-thread communication is a vital performance indicator in shared-memory systems. Prior works on identifying inter-thread communication employed hardware simulators or binary instrumentation and suffered from inaccuracy or high overheads---both space and time---making them impractical for production use. We propose ComDetective, which produces communication matrices that are accurate and introduces low runtime and low memory overheads, thus making it practical for production use.

ComDetective employs hardware performance counters to sample memory-access events and uses hardware debug registers to sample communicating pairs of threads. ComDetective can differentiate communication as true or false sharing between threads. Its runtime and memory overheads are only 1.30X and 1.27X, respectively, for the 18 applications studied under 500K sampling period. Using ComDetective, we produce insightful communication matrices for microbenchmarks, PARSEC benchmark suite, and several CORAL applications and compare the generated matrices against MPI counterparts. Guided by ComDetective, we optimize a few codes and achieve up to 13% speedup.

  • Pengfei Su
  • Shuyin Jiao
  • Milind Chabbi
  • Xu Liu

Execution variance among different invocation instances of the same procedure is often an indicator of performance losses. On the one hand, instrumentation-based tools can insert calipers around procedures and identify execution variance; however, they can introduce high overheads. On the other hand, sampling-based tools insert no instrumentation and have low overheads; however, they cannot synchronize samples with procedure entry and exit.

In this paper, we propose FVSampler, a lightweight, sampling-based variance profiler. FVSampler employs hardware performance monitoring units in conjunction with hardware debug registers to sample and monitor whole procedure instances (invocation till return) and collect hardware metrics in each sampled procedure instance. FVSampler, typically, incurs only 6% runtime overhead and negligible memory overhead making it suitable for HPC-scale production codes. We evaluate FVSampler with several parallel applications and demonstrate its effectiveness in pinpointing execution variance. Guided by FVSampler, we tune data structures and algorithms to obtain significant speedups.

  • Abhinav Bhatele
  • Stephanie Brink
  • Todd Gamblin

Performance analysis is critical for eliminating scalability bottlenecks in parallel codes. There are many profiling tools that can instrument codes and gather performance data. However, analytics and visualization tools that are general, easy to use, and programmable are limited. In this paper, we focus on the analytics of structured profiling data, such as that obtained from calling context trees or nested region timers in code. We present a set of techniques and operations that build on the pandas data analysis library to enable analysis of parallel profiles. We have implemented these techniques in a Python-based library called Hatchet that allows structured data to be filtered, aggregated, and pruned. Using performance datasets obtained from profiling parallel codes, we demonstrate performing common performance analysis tasks reproducibly with a few lines of Hatchet code. Hatchet brings the power of modern data science tools to bear on performance analysis.

SESSION: Technical papers: Frameworks & tools

  • Benjamin Welton
  • Barton P. Miller

GPU accelerators have become common on today's leadership-class computing platforms. Exploiting the additional parallelism offered by GPUs is fraught with challenges. A key performance challenge faced by developers is how to limit the time consumed by synchronization and memory transfers between the CPU and GPU. We introduce the feed-forward measurement (FFM) performance tool model that automates the identification of unnecessary or inefficient synchronization and memory transfer, providing an estimate of potential benefit if the problem were fixed. FFM uses a new multi-stage/multi-run instrumentation model that adjusts instrumentation based application behavior on prior runs, guiding FFM to problematic GPU operations that were previously unknown. The collected data feeds a new analysis model that gives an accurate estimate of potential benefit of fixing the problem. We created an implementation of FFM called Diogenes that we have used to identify problems in four real-world scientific applications.

  • Nikhil Hegde
  • Qifan Chang
  • Milind Kulkarni

Recursive formulations of programs are straightforward to reason about and write, often have good locality properties, and readily expose parallelism. We observe that it is easier to automatically generate distributed-memory codes for recursive formulations with certain properties: i) inclusive---a recursive method's parameters summarize the data access done within the method body. ii) Intersection---data-set intersection tests among method invocations can be computed efficiently. In this paper we present D2P, a system that automatically generates distributed-memory codes for recursive divide-conquer algorithms with these properties. D2P produces MPI-based implementations starting from shared-memory specifications of the recursive algorithms. We evaluate D2P with recursive Dynamic Programming (DP) algorithms, since these algorithms have the desired properties and are well known. We show that the generated implementations are scalable and efficient: D2P-generated implementations execute faster than implementations generated by recent distributed DP frameworks, and are competitive with (and often faster than) hand-written implementations.

  • Michael Bauer
  • Michael Garland

NumPy is a popular Python library used for performing array-based numerical computations. The canonical implementation of NumPy used by most programmers runs on a single CPU core and is parallelized to use multiple cores for some operations. This restriction to a single-node CPU-only execution limits both the size of data that can be handled and the potential speed of NumPy code. In this work we introduce Legate, a drop-in replacement for NumPy that requires only a single-line code change and can scale up to an arbitrary number of GPU accelerated nodes. Legate works by translating NumPy programs to the Legion programming model and then leverages the scalability of the Legion runtime system to distribute data and computations across an arbitrary sized machine. Compared to similar programs written in the distributed Dask array library in Python, Legate achieves speed-ups of up to 10X on 1280 CPUs and 100X on 256 GPUs.

SESSION: Technical papers: Linear algebra algorithms

  • Grzegorz Kwasniewski
  • Marko Kabić
  • Maciej Besta
  • Joost VandeVondele
  • Raffaele Solcà
  • Torsten Hoefler

We propose COSMA: a parallel matrix-matrix multiplication algorithm that is near communication-optimal for all combinations of matrix dimensions, processor counts, and memory sizes. The key idea behind COSMA is to derive an optimal (up to a factor of 0.03% for 10MB of fast memory) sequential schedule and then parallelize it, preserving I/O optimality. To achieve this, we use the red-blue pebble game to precisely model MMM dependencies and derive a constructive and tight sequential and parallel I/O lower bound proofs. Compared to 2D or 3D algorithms, which fix processor decomposition upfront and then map it to the matrix dimensions, it reduces communication volume by up to √ times. COSMA outperforms the established ScaLAPACK, CARMA, and CTF algorithms in all scenarios up to 12.8x (2.2x on average), achieving up to 88% of Piz Daint's peak performance. Our work does not require any hand tuning and is maintained as an open source implementation.

  • Zhihao Li
  • Haipeng Jia
  • Yunquan Zhang
  • Tun Chen
  • Liang Yuan
  • Luning Cao
  • Xiao Wang

The discrete Fourier transform (DFT) is widely used in scientific and engineering computation. This paper proposes a template-based code generation framework named AutoFFT that can automatically generate high-performance fast Fourier transform (FFT) codes. AutoFFT employs the Cooley-Tukey FFT algorithm, which exploits the symmetric and periodic properties of the DFT matrix as the outer parallelization framework. To further reduce the number of floating-point operations of butterflies, we explore more symmetric and periodic properties of the DFT matrix and formulate two optimized calculation templates for prime and power-of-two radices. To fully exploit hardware resources, we encapsulate a series of optimizations in an assembly template optimizer. Given any DFT problem, AutoFFT automatically generates C FFT kernels using these two templates and transfers them to efficient assembly codes using the template optimizer. Experiments show that AutoFFT outperforms FFTW, ARMPL, and Intel MKL on average across all FFT types on ARMv8 and Intel x86-64 processors.

  • Mark Gates
  • Jakub Kurzak
  • Ali Charara
  • Asim YarKhan
  • Jack Dongarra

The SLATE (Software for Linear Algebra Targeting Exascale) library is being developed to provide fundamental dense linear algebra capabilities for current and upcoming distributed high-performance systems, both accelerated CPU-GPU based and CPU based. SLATE will provide coverage of existing ScaLAPACK functionality, including the parallel BLAS; linear systems using LU and Cholesky; least squares problems using QR; and eigenvalue and singular value problems. In this respect, it will serve as a replacement for ScaLAPACK, which after two decades of operation, cannot adequately be retrofitted for modern accelerated architectures. SLATE uses modern techniques such as communication-avoiding algorithms, lookahead panels to overlap communication and computation, and task-based scheduling, along with a modern C++ framework. Here we present the design of SLATE and initial reports of several of its components.

SESSION: Technical papers: Power and scale

  • Neha Gholkar
  • Frank Mueller
  • Barry Rountree

The US Department of Energy (DOE) has set a power target of 20-30MW on the first exascale machines. To achieve one exaflop under this power constraint, it is necessary to minimize wasteful consumption of power while striving to improve performance.

Toward this end, we investigate uncore frequency scaling (UFS) as a potential knob for reducing the power footprint of HPC jobs. We propose Uncore Power Scavenger (UPSCavenger), a runtime system that dynamically detects phase changes and automatically sets the best uncore frequency for every phase to save power without significant impact on performance. Our experimental evaluations on a cluster show that UPSCavenger achieves up to 10% energy savings with under 1% slowdown. It achieves 14% energy savings with the worst case slowdown of 5.5%. We also show that UPSCavenger achieves up to 20% speedup and proportional energy savings compared to Intel's RAPL with equivalent power usage making it a viable solution even for power-constrained computing.

  • Huazhe Zhang
  • Henry Hoffmann

Power budgeting (or capping) has become essential for large-scale computing installations. Meanwhile, as these systems scale out, they can concurrently execute dependent applications that were previously processed serially. Such application coupling reduces IO traffic and overall time to completion as the applications now communicate at runtime instead of through disk. Coupled applications are predicted to be a major workload for future exascale supercomputers; e.g., scientific simulations will execute concurrently with in situ analysis. One critical challenge for power budgeting systems is implementing power capping for coupled applications while still achieving high performance. Existing approaches on power capping coupled workloads, however, have major limitations including: (1) poor practicality, due to dependence on offline application profiling; and (2) limited optimization opportunity, as they consider power reallocation on a strictly global level (from node-to-node), without considering node-level optimization opportunities.

To overcome these limitations, we propose PoDD, a hierarchical, distributed power management system for coupled applications. PoDD uses classifiers and online model building to determine optimal power and performance tradeoffs without offline profiling or application instrumentation. We implement it on a 49-node cluster and compare it to SLURM, a state-of-the-art job scheduler that considers power, but not coupling, and PowerShift, a power capping system for coupled applications without node-level optimization. PoDD improves mean performance over SLURM by 14--22% and over PowerShift by 11--13%. Finally, PoDD is resilient to tail behavior and system noise, improving performance in noisy environments by 44% on average compared to even power distribution.

  • Atilim Güneş Baydin
  • Lei Shao
  • Wahid Bhimji
  • Lukas Heinrich
  • Lawrence Meadows
  • Jialin Liu
  • Andreas Munk
  • Saeid Naderiparizi
  • Bradley Gram-Hansen
  • Gilles Louppe
  • Mingfei Ma
  • Xiaohui Zhao
  • Philip Torr
  • Victor Lee
  • Kyle Cranmer
  • Prabhat
  • Frank Wood

Probabilistic programming languages (PPLs) are receiving widespread attention for performing Bayesian inference in complex generative models. However, applications to science remain limited because of the impracticability of rewriting complex scientific simulators in a PPL, the computational cost of inference, and the lack of scalable implementations. To address these, we present a novel PPL framework that couples directly to existing scientific simulators through a cross-platform probabilistic execution protocol and provides Markov chain Monte Carlo (MCMC) and deep-learning-based inference compilation (IC) engines for tractable inference. To guide IC inference, we perform distributed training of a dynamic 3DCNN-LSTM architecture with a PyTorch-MPI-based framework on 1,024 32-core CPU nodes of the Cori supercomputer with a global mini-batch size of 128k: achieving a performance of 450 Tflop/s through enhancements to PyTorch. We demonstrate a Large Hadron Collider (LHC) use-case with the C++ Sherpa simulator and achieve the largest-scale posterior inference in a Turing-complete PPL.

SESSION: Technical papers: State of the practice

  • David Jauk
  • Dai Yang
  • Martin Schulz

As we near exascale, resilience remains a major technical hurdle. Any technique with the goal of achieving resilience suffers from having to be reactive, as failures can appear at any time. A wide body of research aims at predicting failures, i.e., forecasting failures so that evasive actions can be taken while the system is still fully functional, which has the benefit of giving insight into the global system state.

This research area has grown very diverse with a large number of approaches, yet is currently poorly classified, making it hard to understand the impact and coverage of existing work. In this paper, we perform an extensive survey of existing literature in failure prediction by analyzing and comparing more than 30 different failure prediction approaches. We develop a taxonomy, which aids in categorizing the methods, and we show how this can help us to understand the state-of-the-practice of this field and to identify opportunities, gaps as well as future work.

  • Ignacio Laguna
  • Ryan Marshall
  • Kathryn Mohror
  • Martin Ruefenacht
  • Anthony Skjellum
  • Nawrin Sultana

Understanding the state-of-the-practice in MPI usage is paramount for many aspects of supercomputing, including optimizing the communication of HPC applications and informing standardization bodies and HPC systems procurements regarding the most important MPI features. Unfortunately, no previous study has characterized the use of MPI on applications at a significant scale; previous surveys focus either on small data samples or on MPI jobs of specific HPC centers. This paper presents the first comprehensive study of MPI usage in applications. We survey more than one hundred distinct MPI programs covering a significantly large space of the population of MPI applications. We focus on understanding the characteristics of MPI usage with respect to the most used features, code complexity, and programming models and languages. Our study corroborates certain findings previously reported on smaller data samples and presents a number of interesting, previously un-reported insights.

  • Ian Karlin
  • Yoonho Park
  • Bronis R. de Supinski
  • Peng Wang
  • Bert Still
  • David Beckingsale
  • Robert Blake
  • Tong Chen
  • Guojing Cong
  • Carlos Costa
  • Johann Dahm
  • Giacomo Domeniconi
  • Thomas Epperly
  • Aaron Fisher
  • Sara Kokkila Schumacher
  • Steven Langer
  • Hai Le
  • Eun Kyung Lee
  • Naoya Maruyama
  • Xinyu Que
  • David Richards
  • Bjorn Sjogreen
  • Jonathan Wong
  • Carol Woodward
  • UlrikWoodwarda
  • Xiaohua Zhang
  • Bob Anderson
  • David Appelhans
  • Levi Barnes
  • Peter Barnes
  • Sorin Bastea
  • David Boehme
  • Jamie A. Bramwell
  • Jim Brase
  • Jose Brunheroto
  • Barry Chen
  • Charway R. Cooper
  • Tony DeGroot
  • Rob Falgout
  • Todd Gamblin
  • David Gardner
  • James Glosli
  • John Gunnels
  • Max Katz
  • Tzanio Kolev
  • I-Feng W. Kuo
  • Matthew P. Legendre
  • Ruipeng Li
  • Pei-Hung Lin
  • Shelby Lockhart
  • Kathleen McCandless
  • Claudia Misale
  • Jaime Moreno
  • Rob Neely
  • Jarom Nelson
  • Rao Nimmakayala
  • Kathryn O'Brien
  • Kevin O'Brien
  • Ramesh Pankajakshan
  • Roger Pearce
  • Slaven Peles
  • Phil Regier
  • Steve Rennich
  • Martin Schulz
  • Howard Scott
  • James Sexton
  • Kathleen Shoga
  • Shiv Sundram
  • Guillaume Thomas-Collignon
  • Brian Van Essen
  • Alexey Voronin
  • Bob Walkup
  • Lu Wang
  • Chris Ward
  • Hui-Fang Wen
  • Dan White
  • Christopher Young
  • Cyril Zeller
  • Ed Zywicz

Productivity from day one on supercomputers that leverage new technologies requires significant preparation. An institution that procures a novel system architecture often lacks sufficient institutional knowledge and skills to prepare for it. Thus, the "Center of Excellence" (CoE) concept has emerged to prepare for systems such as Summit and Sierra, currently the top two systems in the Top 500. This paper documents CoE experiences that prepared a workload of diverse applications and math libraries for a heterogeneous system. We describe our approach to this preparation, including our management and execution strategies, and detail our experiences with and reasons for using different programming approaches. Our early science and performance results show that the project enabled significant early seismic science with up to a l4X throughput increase over Cori. In addition to our successes, we discuss our challenges and failures so others may benefit from our experience.

SESSION: Technical papers: Compression

  • Xin Liang
  • Sheng Di
  • Sihuan Li
  • Dingwen Tao
  • Bogdan Nicolae
  • Zizhong Chen
  • Franck Cappello

With the ever-increasing volumes of data produced by today's large-scale scientific simulations, error-bounded lossy compression techniques have become critical: not only can they significantly reduce the data size but they also can retain high data fidelity for postanalysis. In this paper, we design a strategy to improve the compression quality significantly based on an optimized, hybrid prediction model. Our contribution is fourfold. (1) We propose a novel, transform-based predictor and optimize its compression quality. (2) We significantly improve the coefficient-encoding efficiency for the data-fitting predictor. (3) We propose an adaptive framework that can select the best-fit predictor accurately for different datasets. (4) We evaluate our solution and several existing state-of-the-art lossy compressors by running real-world applications on a supercomputer with 8,192 cores. Experiments show that our adaptive compressor can improve the compression ratio by 112~165% compared with the second-best compressor. The parallel I/O performance is improved by about 100% because of the significantly reduced data size. The total I/O time is reduced by up to 60X with our compressor compared with the original I/O time.

  • Madhurima Vardhan
  • John Gounley
  • Luiz Hegele
  • Erik W. Draeger
  • Amanda Randles

The widely-used lattice Boltzmann method (LBM) for computational fluid dynamics is highly scalable, but also significantly memory bandwidth-bound on current architectures. This paper presents a new regularized LBM implementation that reduces the memory footprint by only storing macroscopic, moment-based data. We show that the amount of data that must be stored in memory during a simulation is reduced by up to 47%. We also present a technique for cache-aware data re-utilization and show that optimizing cache utilization to limit data motion results in a similar improvement in time to solution. These new algorithms are implemented in the hemodynamics solver HARVEY and demonstrated using both idealized and realistic biological geometries. We develop a performance model for the moment representation algorithm and evaluate the performance on Summit.

  • Maciej Besta
  • Simon Weber
  • Lukas Gianinazzi
  • Robert Gerstenberger
  • Andrey Ivanov
  • Yishai Oltchik
  • Torsten Hoefler

We propose Slim Graph: the first programming model and framework for practical lossy graph compression that facilitates high-performance approximate graph processing, storage, and analytics. Slim Graph enables the developer to express numerous compression schemes using small and programmable compression kernels that can access and modify local parts of input graphs. Such kernels are executed in parallel by the underlying engine, isolating developers from complexities of parallel programming. Our kernels implement novel graph compression schemes that preserve numerous graph properties, for example connected components, minimum spanning trees, or graph spectra. Finally, Slim Graph uses statistical divergences and other metrics to analyze the accuracy of lossy graph compression. We illustrate both theoretically and empirically that Slim Graph accelerates numerous graph algorithms, reduces storage used by graph datasets, and ensures high accuracy of results. Slim Graph may become the common ground for developing, executing, and analyzing emerging lossy graph compression schemes.

SESSION: Technical papers: Machine learning optimization

  • Sangkug Lym
  • Esha Choukse
  • Siavash Zangeneh
  • Wei Wen
  • Sujay Sanghavi
  • Mattan Erez

State-of-the-art convolutional neural networks (CNNs) used in vision applications have large models with numerous weights. Training these models is very compute- and memory-resource intensive. Much research has been done on pruning or compressing these models to reduce the cost of inference, but little work has addressed the costs of training. We focus precisely on accelerating training. We propose PruneTrain, a cost-efficient mechanism that gradually reduces the training cost during training. PruneTrain uses a structured group-lasso regularization approach that drives the training optimization toward both high accuracy and small weight values. Small weights can then be periodically removed by reconfiguring the network model to a smaller one. By using a structured-pruning approach and additional reconfiguration techniques we introduce, the pruned model can still be efficiently processed on a GPU accelerator. Overall, PruneTrain achieves a reduction of 39% in the end-to-end training time of ResNet50 for ImageNet by reducing computation cost by 40% in FLOPs, memory accesses by 37% for memory bandwidth bound layers, and the inter-accelerator communication by 55%.

  • Prasanna Balaprakash
  • Romain Egele
  • Misha Salim
  • Stefan Wild
  • Venkatram Vishwanath
  • Fangfang Xia
  • Tom Brettin
  • Rick Stevens

Cancer is a complex disease, the understanding and treatment of which are being aided through increases in the volume of collected data and in the scale of deployed computing power. Consequently, there is a growing need for the development of data-driven and, in particular, deep learning methods for various tasks such as cancer diagnosis, detection, prognosis, and prediction. Despite recent successes, however, designing high-performing deep learning models for nonimage and nontext cancer data is a time-consuming, trial-and-error, manual task that requires both cancer domain and deep learning expertise. To that end, we develop a reinforcement-learning-based neural architecture search to automate deep-learning-based predictive model development for a class of representative cancer data. We develop custom building blocks that allow domain experts to incorporate the cancer-data-specific characteristics. We show that our approach discovers deep neural network architectures that have significantly fewer trainable parameters, shorter training time, and accuracy similar to or higher than those of manually designed architectures. We study and demonstrate the scalability of our approach on up to 1,024 Intel Knights Landing nodes of the Theta supercomputer at the Argonne Leadership Computing Facility.

  • Ang Li
  • Tong Geng
  • Tianqi Wang
  • Martin Herbordt
  • Shuaiwen Leon Song
  • Kevin Barker

Binarized neural networks (or BNNs) promise tremendous performance improvement over traditional DNNs through simplified bit-level computation and significantly reduced memory access/storage cost. In addition, it has advantages of low-cost, low-energy, and high-robustness, showing great potential in resources-constrained, volatile, and latency-critical applications, which are critical for future HPC, cloud, and edge applications. However, the promised significant performance gain of BNN inference has never been fully demonstrated on general-purpose processors, particularly on GPUs, due to: (i) the challenge of extracting and leveraging sufficient finegrained bit-level-parallelism to saturate GPU cores when the batch size is small; (ii) the fundamental design conflict between bit-based BNN algorithm and word-based architecture; and (iii) architecture & performance unfriendly to BNN network design. To address (i) and (ii), we propose a binarized-soft-tensor-core as a software-hardware codesign approach to construct bit-manipulation capability for modern GPUs and thereby effectively harvest bit-level-parallelism (BLP). To tackle (iii), we propose intra- and inter-layer fusion techniques so that the entire BNN inference execution can be packed into a single GPU kernel, and so avoid the high-cost of frequent launching and releasing. Experiments show that our Singular-Binarized-Neural-Network (SBNN) design can achieve over 1000X speedup for raw inference latency over the state-of-the-art full-precision BNN inference for AlexNet on GPUs. Comparisons with CPU, GPU, FPGA and Xeon-Phi demonstrate the effectiveness of our design. SBNN is opensourced and available at

SESSION: Technical papers: Network evaluation

  • Christopher Zimmer
  • Scott Atchley
  • Ramesh Pankajakshan
  • Brian E. Smith
  • Ian Karlin
  • Matthew L. Leininger
  • Adam Bertsch
  • Brian S. Ryujin
  • Jason Burmark
  • André Walker-Loud
  • M. A. Clark
  • Olga Pearce

The US Department of Energy deployed the Summit and Sierra supercomputers with the latest state-of-the-art network interconnect technology in 2018 and both systems entered production in 2019. In this paper, we provide an in-depth assessment of the systems' network interconnects that are based on Enhanced Data Rate (EDR) 100 Gb/s Mellanox InfiniBand. Both systems use second-generation EDR Host Channel Adapters (HCAs) and switches with several new features such as Adaptive Routing (AR), switch-based collectives, and HCA-based tag matching. Although based on the same components, Summit's network is "non-blocking" (i.e., a fully provisioned Clos network) and Sierra's network has a 2:1 taper between the racks and aggregation switches. We evaluate the two systems' interconnects using traditional communication benchmarks as well as production applications. We find that the new Adaptive Routing dramatically improves performance but the other new features still need improvement.

  • Jens Domke
  • Satoshi Matsuoka
  • Ivan R. Ivanov
  • Yuki Tsushima
  • Tomoya Yuki
  • Akihiro Nomura
  • Shin'ichi Miura
  • Nie McDonald
  • Dennis L. Floyd
  • Nicolas Dubé

The de-facto standard topology for modern HPC systems and data-centers are Folded Clos networks, commonly known as Fat-Trees. The number of network endpoints in these systems is steadily increasing. The switch radix increase is not keeping up, forcing an increased path length in these multi-level trees that will limit gains for latency-sensitive applications. Additionally, today's Fat-Trees force the extensive use of active optical cables which carries a prohibitive cost-structure at scale. To tackle these issues, researchers proposed various low-diameter topologies, such as Dragonfly. Another novel, but only theoretically studied, option is the HyperX. We built the world's first 3 Pflop/s supercomputer with two separate networks, a 3--level Fat-Tree and a 12×8 HyperX. This dual-plane system allows us to perform a side-by-side comparison using a broad set of benchmarks. We show that the HyperX, together with our novel communication pattern-aware routing, can challenge the performance of, or even outperform, traditional Fat-Trees.

  • George Michelogiannakis
  • Yiwen Shen
  • Min Yee Teh
  • Xiang Meng
  • Benjamin Aivazi
  • Taylor Groves
  • John Shalf
  • Madeleine Glick
  • Manya Ghobadi
  • Larry Dennison
  • Keren Bergman

As bytes-per-FLOP ratios continue to decline, communication is becoming a bottleneck for performance scaling. This paper describes bandwidth steering in HPC using emerging reconfigurable silicon photonic switches. We demonstrate that placing photonics in the lower layers of a hierarchical topology efficiently changes the connectivity and consequently allows operators to recover from system fragmentation that is otherwise hard to mitigate using common task placement strategies. Bandwidth steering enables efficient utilization of the higher layers of the topology and reduces cost with no performance penalties. In our simulations with a few thousand network endpoints, bandwidth steering reduces static power consumption per unit throughput by 36% and dynamic power consumption by 14% compared to a reference fat tree topology. Such improvements magnify as we taper the bandwidth of the upper network layer. In our hardware testbed, bandwidth steering improves total application execution time by 69%, unaffected by bandwidth tapering.

SESSION: Technical papers: Network congestion and offload

  • Sudheer Chunduri
  • Taylor Groves
  • Peter Mendygral
  • Brian Austin
  • Jacob Balma
  • Krishna Kandalla
  • Kalyan Kumaran
  • Glenn Lockwood
  • Scott Parker
  • Steven Warren
  • Nathan Wichmann
  • Nicholas Wright

Network congestion is one of the biggest problems facing HPC systems today, affecting system throughput, performance, user experience, and reproducibility. Congestion manifests as run-to-run variability due to contention for shared resources (e.g., filesystems) or routes between compute endpoints. Despite its significance, current network benchmarks fail to proxy the real-world network utilization seen on congested systems. We propose a new open-source benchmark suite called the Global Performance and Congestion Network Tests (GPCNeT) to advance the state of the practice in this area. The guiding principles used in designing GPCNeT are described and the methodology employed to maximize its utility is presented. The capabilities of GPCNeT are evaluated by analyzing results from several world's largest HPC systems, including an evaluation of congestion management on a next-generation network. The results show that systems of all technologies and scales are susceptible to congestion and this work motivates the need for congestion control in next-generation networks.

  • Philip Taffet
  • John Mellor-Crummey

To improve the communication performance of an application executing on a cluster or supercomputer, developers need tools that enable them to understand how the application's communication patterns interact with the system's network, especially when those interactions result in congestion. Since communication performance is difficult to reason about analytically and simulation is costly, measurement-based approaches are needed. This paper describes a new sampling-based technique to collect information about the path a packet takes and congestion it encounters. We describe a variant of this scheme that requires only 5--6 bits of information in a monitored packet, making it practical for use in next-generation networks. Network simulations using communication traces for miniGhost (a synthetic 3D finite difference mini-application) and pF3D (a code that simulates laser-plasma interactions) show that our technique provides precise application-centric quantitative information about traffic and congestion that can be used to distinguish between problems with an application's communication patterns, its mapping onto a parallel system, and outside interference.

  • Haiyang Shi
  • Xiaoyi Lu

Erasure Coding (EC) NIC offload is a promising technology for designing next-generation distributed storage systems. However, this paper has identified three major limitations of current-generation EC NIC offload schemes on modern SmartNICs. Thus, this paper proposes a new EC NIC offload paradigm based on the tripartite graph model, namely TriEC. TriEC supports both encode-and-send and receive-and-decode operations efficiently. Through theorem-based proofs, co-designs with memcached (i.e., TriEC-Cache), and extensive experiments, we show that TriEC is correct and can deliver better performance than the state-of-the-art EC NIC offload schemes (i.e., BiEC). Benchmark evaluations demonstrate that TriEC outperforms BiEC by up to 1.82x and 2.33x for encoding and recovering, respectively. With extended YCSB workloads, TriEC reduces the average write latency by up to 23.2% and the recovery time by up to 37.8%. TriEC outperforms BiEC by 1.32x for a full-node recovery with 8 million records.

SESSION: Technical papers: Partitioning & scheduling

  • Wonchan Lee
  • Manolis Papadakis
  • Elliott Slaughter
  • Alex Aiken

Although data partitioning is required to enable parallelism on distributed memory systems, data partitions are not first class objects in most distributed programming models. As a result, automatic parallelizers and application writers encode a particular partitioning strategy in the parallelized program, leading to a program not easily configured or composed with other parallel programs.

We present a constraint-based approach to automatic data partitioning. By introducing abstractions for first-class data partitions, we express a space of correct partitioning strategies. Candidate partitions are characterized by partitioning constraints, which can be automatically inferred from data accesses in parallelizable loops. Constraints can be satisfied by synthesized partitioning code or user-provided partitions. We demonstrate that programs auto-parallelized in our approach are easily composed with manually parallelized parts and have scalability comparable to hand-optimized counterparts.

  • Serif Yesil
  • Azin Heidarshenas
  • Adam Morrison
  • Josep Torrellas

Many task-based graph algorithms benefit from executing tasks according to some programmer-specified priority order. To support such algorithms, graph frameworks use Concurrent Priority Schedulers (CPSs), which attempt---but do not guarantee---to execute the tasks according to their priority order. While CPSs are critical to performance, there is insufficient insight on the relative strengths and weaknesses of the different CPS designs in the literature. Such insights would be valuable to design better CPSs for graph processing.

This paper addresses this problem. It performs a detailed empirical performance analysis of several advanced CPS designs in a state-of-the-art graph analytics framework running on a large shared-memory server. Our analysis finds that all CPS designs but one impose major overheads that dominate running time. Only one CPS---the Galois system's obim---typically imposes negligible overheads. However, obim's performance is input-dependent and can degrade substantially for some inputs. Based on our insights, we develop PMOD, a new CPS that is robust and delivers the highest performance overall.

  • Shumpei Shiina
  • Kenjiro Taura

With task parallel models, programmers can easily parallelize divide-and-conquer algorithms by using nested fork-join structures. Work stealing, which is a popular scheduling strategy for task parallel programs, can efficiently perform dynamic load balancing; however, it tends to damage data locality and does not scale well with memory-bound applications. This paper introduces Almost Deterministic Work Stealing (ADWS), which addresses the issue of data locality of traditional work stealing by making the scheduling almost deterministic. Specifically, ADWS consists of two parts: (i) deterministic task allocation, which deterministically distributes tasks to workers based on the amount of work for each task, and (ii) hierarchical localized work stealing, which dynamically compensates load imbalance in a locality-aware manner. Experimental results show that ADWS is up to nearly 6 times faster than a traditional work stealing scheduler with memory-bound applications, and that dynamic load balancing works well while maintaining good data locality.

SESSION: Technical papers: Sparse computations

  • Athena Elafrou
  • Georgios Goumas
  • Nectarios Koziris

Exploiting the numeric symmetry in sparse matrices to reduce their memory footprint is very tempting for optimizing the memory-bound Sparse Matrix-Vector Multiplication (SpMV) kernel. Despite being very beneficial for serial computation, storing the upper or lower triangular part of the matrix introduces race conditions in the updates to the output vector in a parallel execution. Previous work has suggested using local, per-thread vectors to circumvent this problem, introducing a work-inefficient reduction step that limits the scalability of SpMV. In this paper, we address this issue with Conflict-Free Symmetric (CFS) SpMV, an optimization strategy that organizes the parallel computation into phases of conflict-free execution. We identify such phases through graph coloring and propose heuristics to improve the coloring quality for SpMV in terms of load balancing and locality to the input and output vectors. We evaluate our approach on two multicore shared-memory systems and demonstrate improved performance over the state-of-the-art.

  • Israt Nisa
  • Jiajia Li
  • Aravind Sukumaran-Rajam
  • Prasant Singh Rawat
  • Sriram Krishnamoorthy
  • P. Sadayappan

The Compressed Sparse Fiber (CSF) representation for sparse tensors is a generalization of the Compressed Sparse Row (CSR) format for sparse matrices. For a tensor with d modes, typical tensor methods such as CANDECOMP/PARAFAC decomposition (CPD) require a sequence of d tensor computations, where efficient memory access with respect to different modes is required for each of them. The straightforward solution is to use d distinct representations of the tensor, with each one being efficient for one of the d computations. However, a d-fold space overhead is often unacceptable in practice, especially with memory-constrained GPUs. In this paper, we present a mixed-mode tensor representation that partitions the tensor's nonzero elements into disjoint sections, each of which is compressed to create fibers along a different mode. Experimental results demonstrate that better performance can be achieved while utilizing only a small fraction of the space required to keep d distinct CSF representations.

  • Oguz Selvitopi
  • Cevdet Aykanat

This work tackles the communication challenges posed by the latency-bound applications with irregular communication patterns, i.e., applications with high average and/or maximum message counts. We propose a novel algorithm for reorganizing a given set of irregular point-to-point messages with the objective of reducing total latency cost at the expense of increased volume. We organize processes into a virtual process topology inspired by the k-ary n-cube networks and regularize irregular messages by imposing regular communication pattern(s) onto them. Exploiting this process topology, we propose a flexible store-and-forward algorithm to control the trade-off between latency and volume. Our approach is able to reduce the communication time of sparse-matrix multiplication with latency-bound instances drastically: up to 22.6× for 16K processes on a 3D Torus network and up to 7.2× for 4K processes on a Dragonfly network, with its performance getting better with increasing number of processes.

SESSION: Technical papers: GPU

  • Lingda Li
  • Barbara Chapman

To improve programmability and productivity, recent GPUs adopt a virtual memory address space shared with CPUs (e.g., NVIDIA's unified memory). Unified memory migrates the data management burden from programmers to system software and hardware, and enables GPUs to address datasets that exceed their memory capacity. Our experiments show that while the implicit data transfer of unified memory may bring better data movement efficiency, page fault overhead and data thrashing can erase its benefits. In this paper, we propose several user-transparent unified memory management schemes to 1) achieve adaptive implicit and explicit data transfer and 2) prevent data thrashing. Unlike previous approaches which mostly rely on the runtime and thus suffer from large overhead, we demonstrate the benefits of exploiting key information from compiler analyses, including data locality, access density, and target reuse distance, to accomplish our goal. We implement the proposed schemes to improve OpenMP GPU offloading performance. Our evaluation shows that our schemes improve the GPU performance and memory efficiency significantly.

  • Tuowen Zhao
  • Protonu Basu
  • Samuel Williams
  • Mary Hall
  • Hans Johansen

Stencil computations in real-world scientific applications may contain multiple interrelated stencils, have multiple input grids, and use higher order discretizations with high arithmetic intensity and complex expression structures. In combination, these properties place immense demands on the memory hierarchy that limit performance. Blocking techniques like tiling are used to exploit reuse in caches. Additional fine-grain data blocking can also reduce TLB, hardware prefetch, and cache pressure.

In this paper, we present a code generation approach designed to further improve tiled stencil performance by exploiting reuse within the block, increasing instruction-level parallelism, and exposing opportunities for the backend compiler to eliminate redundant computation. It also enables efficient vector code generation for CPUs and GPUs. For a wide range of complex stencil computations, we are able to achieve substantial speedups over tiled baselines for the Intel KNL, Intel Skylake-X, and NVIDIA P100 architectures.

  • Peng Chen
  • Mohamed Wahib
  • Shinichiro Takizawa
  • Ryousei Takano
  • Satoshi Matsuoka

This paper proposes a versatile high-performance execution model, inspired by systolic arrays, for memory-bound regular kernels running on CUDA-enabled GPUs. We formulate a systolic model that shifts partial sums by CUDA warp primitives for the computation. We also employ register files as a cache resource in order to operate the entire model efficiently. We demonstrate the effectiveness and versatility of the proposed model for a wide variety of stencil kernels that appear commonly in HPC, and also convolution kernels (increasingly important in deep learning workloads). Our algorithm outperforms the top reported state-of-the-art stencil implementations, including implementations with sophisticated temporal and spatial blocking techniques, on the two latest Nvidia architectures: Tesla V100 and P100. For 2D convolution of general filter sizes and shapes, our algorithm is on average 2.5× faster than Nvidia's NPP on V100 and P100 GPUs.

SESSION: Technical papers: Network and memory specialization

  • Whit Schonbein
  • Ryan E. Grant
  • Matthew G. F. Dosanjh
  • Dorian Arnold

Current proposals for in-network data processing operate on data as it streams through a network switch or endpoint. Since compute resources must be available when data arrives, these approaches provide deadline-based models of execution. This paper introduces a deadline-free general compute model for network endpoints called INCA: In-Network Compute Assistance. INCA builds upon contemporary NIC offload capabilities to provide on-NIC, deadline-free, general-purpose compute capacities that can be utilized when the network is inactive. We demonstrate INCA is Turing complete, and provide a detailed design for extending existing hardware to support this model. We evaluate runtimes for a selection of kernels, including several optimizations, and show INCA can provide up to a 11% speedup for applications with minimal code modifications and between 25% to 37% when applications are optimized for INCA.

  • Daichi Fujiki
  • Niladrish Chatterjee
  • Donghyuk Lee
  • Mike O'Connor

Efficient manipulation of sparse matrices is critical to a wide range of HPC applications. Increasingly, GPUs are used to accelerate these sparse matrix operations. We study one common operation, Sparse Matrix Multi-Vector Multiplication (SpMM), and evaluate the impact of the sparsity, distribution of non-zero elements, and tile-traversal strategies on GPU implementations. Using these insights, we determine that operating on these sparse matrices in a Densified Compressed Sparse Row (DCSR) is well-suited to the parallel warp-synchronous execution model of the GPU processing elements.

Preprocessing or storing the sparse matrix in the DCSR format, however, often requires significantly more memory storage than conventional Compressed Sparse Row (CSR) or Compressed Sparse Column (CSC) formats. Given that SpMM kernels are often bottlenecked on DRAM bandwidth, the increase in DRAM traffic to access the larger DCSR formatted data structure can result in a slowdown for many matrices.

We propose a near-memory transform engine to dynamically create DCSR formatted tiles for the GPU processing elements from the CSC formatted matrix in memory. This work enhances a GPU's last-level cache/memory controller unit to act as an efficient translator between the compute-optimized representation of data and its corresponding storage/bandwidth-optimized format to accelerate sparse workloads. Our approach achieves 2.26× better performance on average compared to the vendor supplied optimized library for sparse matrix operations, cuSPARSE.

  • Salvatore Di Girolamo
  • Konstantin Taranov
  • Andreas Kurth
  • Michael Schaffner
  • Timo Schneider
  • Jakub Beránek
  • Maciej Besta
  • Luca Benini
  • Duncan Roweth
  • Torsten Hoefler

Applications often communicate data that is non-contiguous in the send- or the receive-buffer, e.g., when exchanging a column of a matrix stored in row-major order. While non-contiguous transfers are well supported in HPC (e.g., MPI derived datatypes), they can still be up to 5x slower than contiguous transfers of the same size. As we enter the era of network acceleration, we need to investigate which tasks to offload to the NIC: In this work we argue that non-contiguous memory transfers can be transparently network-accelerated, truly achieving zero-copy communications. We implement and extend sPIN, a packet streaming processor, within a Portals 4 NIC SST model, and evaluate strategies for NIC-offloaded processing of MPI datatypes, ranging from datatype-specific handlers to general solutions for any MPI datatype. We demonstrate up to 8x speedup in the unpack throughput of real applications, demonstrating that non-contiguous memory transfers are a first-class candidate for network acceleration.

SESSION: Technical papers: Software infrastructures for applications

  • Francesco Di Natale
  • Harsh Bhatia
  • Timothy S. Carpenter
  • Chris Neale
  • Sara Kokkila Schumacher
  • Tomas Oppelstrup
  • Liam Stanton
  • Xiaohua Zhang
  • Shiv Sundram
  • Thomas R. W. Scogland
  • Gautham Dharuman
  • Michael P. Surh
  • Yue Yang
  • Claudia Misale
  • Lars Schneidenbach
  • Carlos Costa
  • Changhoan Kim
  • Bruce D'Amora
  • Sandrasegaram Gnanakaran
  • Dwight V. Nissley
  • Fred Streitz
  • Felice C. Lightstone
  • Peer-Timo Bremer
  • James N. Glosli
  • Helgi I. Ingólfsson

Computational models can define the functional dynamics of complex systems in exceptional detail. However, many modeling studies face seemingly incommensurate requirements: to gain meaningful insights into some phenomena requires models with high resolution (microscopic) detail that must nevertheless evolve over large (macroscopic) length- and time-scales. Multiscale modeling has become increasingly important to bridge this gap. Executing complex multiscale models on current petascale computers with high levels of parallelism and heterogeneous architectures is challenging. Many distinct types of resources need to be simultaneously managed, such as GPUs and CPUs, memory size and latencies, communication bottlenecks, and filesystem bandwidth. In addition, robustness to failure of compute nodes, network, and filesystems is critical.

We introduce a first-of-its-kind, massively parallel Multiscale Machine-Learned Modeling Infrastructure (MuMMI), which couples a macro scale model spanning micrometer length- and millisecond time-scales with a micro scale model employing high-fidelity molecular dynamics (MD) simulations. MuMMI is a cohesive and transferable infrastructure designed for scalability and efficient execution on heterogeneous resources. A central workflow manager simultaneously allocates GPUs and CPUs while robustly handling failures in compute nodes, communication networks, and filesystems. A hierarchical scheduler controls GPU-accelerated MD simulations and in situ analysis.

We present the various MuMMI components, including the macro model, GPU-accelerated MD, in situ analysis of MD data, machine learning selection module, a highly scalable hierarchical scheduler, and detail the central workflow manager that ties these modules together. In addition, we present performance data from our runs on Sierra, in which we validated MuMMI by investigating an experimentally intractable biological system: the dynamic interaction between RAS proteins and a plasma membrane. We used up to 4000 nodes of the Sierra supercomputer, concurrently utilizing over 16,000 GPUs and 176,000 CPU cores, and running up to 36,000 different tasks. This multiscale simulation includes about 120,000 MD simulations aggregating over 200 milliseconds, which is orders of magnitude greater than comparable studies.

  • Chao Chen
  • Greg Eisenhauer
  • Santosh Pande
  • Qiang Guan

As processors continue to boost the system performance with higher circuit density, shrinking process technology and near-threshold voltage (NTV) operations, they are projected to be more vulnerable to transient faults, which have become one of the major concerns for future extreme-scale HPC systems. Despite being relatively infrequent, crashes due to transient faults are incredibly disruptive, particularly for massively parallel jobs on supercomputers where they potentially kill the entire job, requiring an expensive rerun or restart from a checkpoint.

In this paper, we present CARE, a light-weight compiler-assisted technique to repair the (crashed) process on-the-fly when a crash-causing error is detected, allowing applications to continue their executions instead of being simply terminated and restarted. Specifically, CARE seeks to repair failures that would result in application crashes due to invalid memory references (segmentation violation). During the compilation of applications, CARE constructs a recovery kernel for each crash-prone instruction, and upon an occurrence of an error, CARE attempts to repair corrupted state of the process by executing the constructed recovery kernel to recompute the memory reference on-the-fly. We evaluated CARE with four scientific workloads. During their normal execution, CARE incurs almost zero runtime overhead and a fixed 27MB memory overheads. Meanwhile, CARE can recover on an average 83.54% of crash-causing errors within dozens of milliseconds. We also evaluated CARE with parallel jobs running on 3072 cores and showed that CARE can successfully mask the impact of crash-causing errors by providing almost uninterrupted execution. Finally, We present our preliminary evaluation result for BLAS, which shows that CARE is capable of recovering failures in libraries with a very high coverage rate of 83% and negligible overheads. With such an effective recovery mechanism, CARE could tremendously mitigate the overheads and resource requirements of the resilience subsystem in future extreme-scale systems.

  • Martin Bauer
  • Johannes Hötzer
  • Dominik Ernst
  • Julian Hammer
  • Marco Seiz
  • Henrik Hierl
  • Jan Hönig
  • Harald Köstler
  • Gerhard Wellein
  • Britta Nestler
  • Ulrich Rüde

This article describes the development of automatic program generation technology to create scalable phase-field methods for material science applications. To simulate the formation of microstructures in metal alloys, we employ an advanced, thermodynamically consistent phase-field method. A state-of-the-art large-scale implementation of this model requires extensive, time-consuming, manual code optimization to achieve unprecedented fine mesh resolution. Our new approach starts with an abstract description based on free-energy functionals which is formally transformed into a continuous PDE and discretized automatically to obtain a stencil-based time-stepping scheme. Subsequently, an automatized performance engineering process generates highly optimized, performance-portable code for CPUs and GPUs. We demonstrate the efficiency for real-world simulations on large-scale GPU-based (PizDaint) and CPU-based (SuperMUC-NG) supercomputers. Our technique simplifies program development and optimization for a wide class of models.

We further outperform existing, manually optimized implementations as our code can be generated specifically for each phase-field model and hardware configuration.

SESSION: Technical papers: Algorithmic techniques for large-scale applications

  • Arnur Nigmetov
  • Dmitriy Morozov

A merge tree is a topological summary of a real-valued function on a graph. Merge trees can be used to find stable features in the data, report the number of connected components above any threshold, or compute other topological descriptors. A local-global merge tree provides a way of distributing a merge tree among multiple processors so that queries can be performed with minimal communication. While this makes them efficient in massively parallel setting, the only known algorithm for computing a local-global merge tree involves global reduction.

Motivated by applications in cosmological simulations, we consider a restricted version of the problem: we compute a local-global tree down to a threshold fixed by the user. We describe two algorithms for computing such a tree via only local exchanges between processors. We present a number of experiments that show the advantage of our method on different simulations.

  • Masado Ishii
  • Milinda Fernando
  • Kumar Saurabh
  • Biswajit Khara
  • Baskar Ganapathysubramanian
  • Hari Sundar

Numerically solving partial differential equations (PDEs) remains a compelling application of supercomputing resources. The next generation of computing resources - exhibiting increased parallelism and deep memory hierarchies - provide an opportunity to rethink how to solve PDEs, especially time dependent PDEs. Here, we consider time as an additional dimension and simultaneously solve for the unknown in large blocks of time (i.e. in 4D space-time), instead of the standard approach of sequential time-stepping. We discretize the 4D space-time domain using a mesh-free kD tree construction that enables good parallel performance as well as on-the-fly construction of adaptive 4D meshes. To best use the 4D space-time mesh adaptivity, we invoke concepts from PDE analysis to establish rigorous a posteriori error estimates for a general class of PDEs. We solve canonical linear as well as non-linear PDEs (heat diffusion, advection-diffusion, and Allen-Cahn) in space-time, and illustrate the following advantages: (a) sustained scaling behavior across a larger processor count compared to sequential time-stepping approaches, (b) the ability to capture "localized" behavior in space and time using the adaptive space-time mesh, and (c) removal of any time-stepping constraints like the Courant-Friedrichs-Lewy (CFL) condition, as well as the ability to utilize spatially varying time-steps. We believe that the algorithmic and mathematical developments along with efficient deployment on modern architectures shown in this work constitute an important step towards improving the scalability of PDE solvers on the next generation of supercomputers.

  • Gregor Daiß
  • Parsa Amini
  • John Biddiscombe
  • Patrick Diehl
  • Juhan Frank
  • Kevin Huck
  • Hartmut Kaiser
  • Dominic Marcello
  • David Pfander
  • Dirk Pfüger

We study the simulation of stellar mergers, which requires complex simulations with high computational demands. We have developed Octo-Tiger, a finite volume grid-based hydrodynamics simulation code with Adaptive Mesh Refinement which is unique in conserving both linear and angular momentum to machine precision. To face the challenge of increasingly complex, diverse, and heterogeneous HPC systems, Octo-Tiger relies on high-level programming abstractions.

We use HPX with its futurization capabilities to ensure scalability both between nodes and within, and present first results replacing MPI with libfabric achieving up to a 2.8x speedup. We extend Octo-Tiger to heterogeneous GPU-accelerated supercomputers, demonstrating node-level performance and portability. We show scalability up to full system runs on Piz Daint. For the scenario's maximum resolution, the compute-critical parts (hydrodynamics and gravity) achieve 68.1% parallel efficiency at 2048 nodes.

SESSION: Technical papers: Improved performance through monitoring and fine-tuned orchestration

  • Sarp Oral
  • Sudharshan S. Vazhkudai
  • Feiyi Wang
  • Christopher Zimmer
  • Christopher Brumgard
  • Jesse Hanley
  • George Markomanolis
  • Ross Miller
  • Dustin Leverman
  • Scott Atchley
  • Veronica Vergara Larrea

The I/O subsystem for the Summit supercomputer, No. 1 on the Top500 list, and its ecosystem of analysis platforms is composed of two distinct layers, namely the in-system layer and the center-wide parallel file system layer (PFS), Spider 3. The in-system layer uses node-local SSDs and provides 26.7 TB/s for reads, 9.7 TB/s for writes, and 4.6 billion IOPS to Summit. The Spider 3 PFS layer uses IBM's Spectrum Scale™ and provides 2.5 TB/s and 2.6 million IOPS to Summit and other systems. While deploying them as two distinct layers was operationally efficient, it also presented usability challenges in terms of multiple mount points and lack of transparency in data movement. To address these challenges, we have developed novel end-to-end I/O solutions for the concerted use of the two storage layers. We present the I/O subsystem architecture, the end-to-end I/O solution space, their design considerations and our deployment experience.

  • Alessio Netti
  • Micha Müller
  • Axel Auweter
  • Carla Guillen
  • Michael Ott
  • Daniele Tafani
  • Martin Schulz

Today's HPC installations are highly-complex systems, and their complexity will only increase as we move to exascale and beyond. At each layer, from facilities to systems, from runtimes to applications, a wide range of tuning decisions must be made in order to achieve efficient operation. This, however, requires systematic and continuous monitoring of system and user data. While many insular solutions exist, a system for holistic and facility-wide monitoring is still lacking in the current HPC ecosystem.

In this paper we introduce DCDB, a comprehensive monitoring system capable of integrating data from all system levels. It is designed as a modular and highly-scalable framework based on a plugin infrastructure. All monitored data is aggregated at a distributed noSQL data store for analysis and cross-system correlation. We demonstrate the performance and scalability of DCDB, and describe two use cases in the area of energy management and characterization.

  • Tirthak Patel
  • Suren Byna
  • Glenn K. Lockwood
  • Devesh Tiwari

Large-scale applications typically spend a large fraction of their execution time performing I/O to a parallel storage system. However, with rapid progress in compute and storage system stack of large-scale systems, it is critical to investigate and update our understanding of the I/O behavior of large-scale applications. Toward that end, in this work, we monitor, collect and analyze a year worth of storage system data from a large-scale production parallel storage system. We perform temporal, spatial and correlative analysis of the system and uncover surprising patterns which defy existing assumptions and have important implications for future systems.

SESSION: Technical papers: Molecular dynamics

  • Tingjian Zhang
  • Yuxuan Li
  • Ping Gao
  • Qi Shao
  • Mingshan Shao
  • Meng Zhang
  • Jinxiao Zhang
  • Xiaohui Duan
  • Zhao Liu
  • Lin Gan
  • Haohuan Fu
  • Wei Xue
  • Weiguo Liu
  • Guangwen Yang

GROMACS is one of the most popular Molecular Dynamic (MD) applications and is widely used in the field of chemical and bimolecular system study. Similar to other MD applications, it needs long run-time for large-scale simulations. Therefore, many high performance platforms have been employed to accelerate it, such as Knights Landing (KNL), Cell Processor, Graphics Processing Unit (GPU) and so on. As the third fastest supercomputer in the world, Sunway TaihuLight contains 40960 SW26010 processors and SW26010 is a typical many-core processor. To make full use of the superior computation ability of TaihuLight, we port GROMACS to SW26010 with following new strategies: (1) a new deferred update strategy; (2) a new update mark strategy; (3) a full pipeline acceleration. Furthermore, we redesign GROMACS to enable all possible vectorization. Experiments show that our implementation achieves better performance than both Intel KNL and Nvidia P100 GPU when using appropriate number of SW26010 processors for a fair comparison.

  • Chen Yang
  • Tong Geng
  • Tianqi Wang
  • Rushi Patel
  • Qingqing Xiong
  • Ahmed Sanaullah
  • Chunshu Wu
  • Jiayi Sheng
  • Charles Lin
  • Vipin Sachdeva
  • Woody Sherman
  • Martin Herbordt

The implementation of Molecular Dynamics (MD) on FPGAs has received substantial attention. Previous work, however, has consisted of either proof-of-concept implementations of components, usually the range-limited force; full systems, but with much of the work shared by the host CPU; or prototype demonstrations, e.g., using OpenCL, that neither implement a whole system nor have competitive performance. In this paper, we present what we believe to be the first full-scale FPGA-based simulation engine, and show that its performance is competitive with a GPU (running Amber in an industrial production environment). The system features on-chip particle data storage and management, short- and long-range force evaluation, as well as bonded forces, motion update, and particle migration. Other contributions of this work include exploring numerous architectural trade-offs and analysis of various mappings schemes among particles/cells and the various on-chip compute units. The potential impact is that this system promises to be the basis for long timescale Molecular Dynamics with a commodity cluster.

  • Kun Li
  • Honghui Shang
  • Yunquan Zhang
  • Shigang Li
  • Baodong Wu
  • Dong Wang
  • Libo Zhang
  • Fang Li
  • Dexun Chen
  • Zhiqiang Wei

With more attention attached to nuclear energy, the formation mechanism of the solute clusters precipitation within complex alloys becomes intriguing research in the embrittlement of nuclear reactor pressure vessel (RPV) steels. Such phenomenon can be simulated with atomic kinetic Monte Carlo (AKMC) software, which evaluates the interactions of solute atoms with point defects in metal alloys. In this paper, we propose OpenKMC to accelerate large-scale KMC simulations on Sunway many-core architecture. To overcome the constraints caused by complex many-core architecture, we employ six levels of optimization in OpenKMC: (1) a new efficient potential computation model; (2) a group reaction strategy for fast event selection; (3) a software cache strategy; (4) combined communication optimizations; (5) a Transcription-Translation-Transmission algorithm for many-core optimization; (6) vectorization acceleration. Experiments illustrate that our OpenKMC has high accuracy and good scalability of applying hundred-billion-atom simulation over 5.2 million cores with a performance of over 80.1% parallel efficiency.

SESSION: Technical papers: Resilience and fault injection

  • Zitao Chen
  • Guanpeng Li
  • Karthik Pattabiraman
  • Nathan DeBardeleben

As machine learning (ML) becomes pervasive in high performance computing, ML has found its way into safety-critical domains (e.g., autonomous vehicles). Thus the reliability of ML has grown in importance. Specifically, failures of ML systems can have catastrophic consequences, and can occur due to soft errors, which are increasing in frequency due to system scaling. Therefore, we need to evaluate ML systems in the presence of soft errors.

In this work, we propose BinFI, an efficient fault injector (FI) for finding the safety-critical bits in ML applications. We find the widely-used ML computations are often monotonic. Thus we can approximate the error propagation behavior of a ML application as a monotonic function. BinFI uses a binary-search like FI technique to pinpoint the safety-critical bits (also measure the overall resilience). BinFI identifies 99.56% of safety-critical bits (with 99.63% precision) in the systems, which significantly outperforms random FI, with much lower costs.

  • Chun-Kai Chang
  • Wenqi Yin
  • Mattan Erez

Timing errors are a growing concern for system resilience as technology continues to scale. It is problematic to use low-fidelity errors such as single-bit flips to model realistic timing errors. We address the lack of holistic methodology and tool for evaluating resilience of applications against timing errors. The proposed technique is able to rapidly inject high-fidelity and configurable timing errors to applications at the instruction level. Our implementation has no runtime dependencies on proprietary tools, enabling full parallelism of error injection campaign. Furthermore, because an injection point may not generate an actual error for a particular application run, we propose an acceleration technique to maximize the likelihood of generating errors that contribute to the overall campaign with speedup up to 7X. With our tool, we show that realistic timing errors lead to distinct error profiles from those of radiation-induced errors at both the instruction level and the application level.

  • Sihuan Li
  • Hongbo Li
  • Xin Liang
  • Jieyang Chen
  • Elisabeth Giem
  • Kaiming Ouyang
  • Kai Zhao
  • Sheng Di
  • Franck Cappello
  • Zizhong Chen

Introspective sorting is a ubiquitous sorting algorithm which underlies many large scale distributed systems. Hardware-mediated soft errors can result in comparison and memory errors, and thus cause introsort to generate incorrect output, which in turn disrupts systems built upon introsort; hence, it is critical to incorporate fault tolerance capability within introsort. This paper proposes the first theoretically-sound, practical fault tolerant introsort with negligible overhead: FT-iSort. To tolerate comparison errors, we use minimal TMR protection via exploiting the properties of the effects of soft errors on introsort. This algorithm-based selective protection incurs far less overhead than naïve TMR protection designed to protect an entire application. To tolerate memory errors that escape DRAM error correcting code, we propose XOR-based re-execution. We incorporate our fault tolerance method into the well-known parallel sorting implementation HykSort, and we find that fault tolerant HykSort incurs negligible overhead and obtains nearly the same scalability as unprotected HykSort.

SESSION: Technical papers: Graph and tensor computations

  • Patrick Flick
  • Srinivas Aluru

Suffix arrays and trees are important and fundamental string data structures which lie at the foundation of many string algorithms, with important applications in computational biology, text processing, and information retrieval. Recent work enables the efficient parallel construction of suffix arrays and trees requiring at most O(n/p) memory per process in distributed memory.

However, querying these indexes in distributed memory has not been studied extensively. Querying common string indexes such as suffix arrays, enhanced suffix arrays, and FM-Index, all require random accesses into O(n) memory - which in distributed memory settings becomes prohibitively expensive.

In this paper, we introduce a novel distributed string index, the Distributed Enhanced Suffix Array (DESA). We present efficient algorithms for the construction and querying of this distributed data structure, all while requiring only O(n/p) memory per process. We further provide a scalable parallel implementation and demonstrate its performance and scalability.

  • George M. Slota
  • Jonathan W. Berry
  • Simon D. Hammond
  • Stephen L. Olivier
  • Cynthia A. Phillips
  • Sivasankaran Rajamanickam

Community detection in graphs is a canonical social network analysis method. We consider the problem of generating suites of teras-cale synthetic social networks to compare the solution quality of parallel community-detection methods. The standard method, based on the graph generator of Lancichinetti, Fortunato, and Radicchi (LFR), has been used extensively for modest-scale graphs, but has inherent scalability limitations.

We provide an alternative, based on the scalable Block Two-Level Erdos-Renyi (BTER) graph generator, that enables HPC-scale evaluation of solution quality in the style of LFR. Our approach varies community coherence, and retains other important properties. Our methods can scale real-world networks, e.g., to create a version of the Friendster network that is 512 times larger. With BTER's inherent scalability, we can generate a 15-terabyte graph (4.6B vertices, 925B edges) in just over one minute. We demonstrate our capability by showing that label-propagation community-detection algorithm can be strong-scaled with negligible solution-quality loss.

  • Rui Li
  • Aravind Sukumaran-Rajam
  • Richard Veras
  • Tze Meng Low
  • Fabrice Rastello
  • Atanas Rountev
  • P. Sadayappan

Data movement between processor and memory hierarchy is a fundamental bottleneck that limits the performance of many applications on modern computer architectures. Tiling and loop permutation are key techniques for improving data locality. However, selecting effective tile-sizes and loop permutations is particularly challenging for tensor contractions due to the large number of loops. Even state-of-the-art compilers usually produce sub-optimal tile-sizes and loop permutations, as they rely on naïve cost models. In this paper we provide an analytical model based approach to multi-level tile size optimization and permutation selection for tensor contractions. Our experimental results show that this approach achieves comparable or better performance than state-of-the-art frameworks and libraries for tensor contractions.

SESSION: Technical papers: Improving next-generation performance and resilience

  • Jacob Alter
  • Ji Xue
  • Alma Dimnaku
  • Evgenia Smirni

In recent years, solid state drives (SSDs) have become a staple of high-performance data centers for their speed and energy efficiency. In this work, we study the failure characteristics of 30,000 drives from a Google data center spanning six years. We characterize the workload conditions that lead to failures and illustrate that their root causes differ from common expectation but remain difficult to discern. Particularly, we study failure incidents that result in manual intervention from the repair process. We observe high levels of infant mortality and characterize the differences between infant and non-infant failures. We develop several machine learning failure prediction models that are shown to be surprisingly accurate, achieving high recall and low false positive rates. These models are used beyond simple prediction as they aid us to untangle the complex interaction of workload characteristics that lead to failures and identify failure root causes from monitored symptoms.

  • Michèle Weiland
  • Holger Brunst
  • Tiago Quintino
  • Nick Johnson
  • Olivier Iffrig
  • Simon Smart
  • Christian Herold
  • Antonino Bonanni
  • Adrian Jackson
  • Mark Parsons

Memory and I/O performance bottlenecks in supercomputing simulations are two key challenges that must be addressed on the road to Exascale. The new byte-addressable persistent non-volatile memory technology from Intel, DCPMM, promises to be an exciting opportunity to break with the status quo, with unprecedented levels of capacity at near-DRAM speeds. Here, we explore the potential of DCPMM in the context of two high-performance scientific applications in terms of outright performance, efficiency and usability for both its Memory and App Direct modes. In Memory mode, we show equivalent performance and better efficiency for a CASTEP simulation that is limited by memory capacity on conventional DRAM-only systems without any changes to the application. For IFS, we demonstrate that a distributed object-store over NVRAM reduces the data contention created in weather forecasting data producer-consumer workflows. In addition, we also present the achievable memory bandwidth performance using STREAM.

  • Tapasya Patki
  • Jayaraman J. Thiagarajan
  • Alexis Ayala
  • Tanzima Z. Islam

The era of extremely heterogeneous supercomputing brings with itself the devil of increased performance variation and reduced reproducibility. There is a lack of understanding in the HPC community on how the simultaneous consideration of network traffic, power limits, concurrency tuning, and interference from other jobs impacts application performance.

In this paper, we design a methodology that allows both HPC users and system administrators to understand the trade-off space between optimal and reproducible performance. We present a first-of-its-kind dataset that simultaneously varies multiple system- and user-level parameters on a production cluster, and introduce a new metric, called the desirability score, which enables comparison across different system configurations. We develop a novel, model-agnostic machine learning methodology based on the graph signal theory for comparing the influence of parameters on application predictability, and using a new visualization technique, make practical suggestions for best practices for multi-objective HPC environments.

SESSION: Technical papers: Quantum applications

  • Alexandros Nikolaos Ziogas
  • Tal Ben-Nun
  • Guillermo Indalecio Fernández
  • Timo Schneider
  • Mathieu Luisier
  • Torsten Hoefler

Designing efficient cooling systems for integrated circuits (ICs) relies on a deep understanding of the electro-thermal properties of transistors. To shed light on this issue in currently fabricated Fin-FETs, a quantum mechanical solver capable of revealing atomically-resolved electron and phonon transport phenomena from first-principles is required. In this paper, we consider a global, data-centric view of a state-of-the-art quantum transport simulator to optimize its execution on supercomputers. The approach yields coarse-and fine-grained data-movement characteristics, which are used for performance and communication modeling, communication-avoidance, and data-layout transformations. The transformations are tuned for the Piz Daint and Summit supercomputers, where each platform requires different caching and fusion strategies to perform optimally. The presented results make ab initio device simulation enter a new era, where nanostructures composed of over 10,000 atoms can be investigated at an unprecedented level of accuracy, paving the way for better heat management in next-generation ICs.

  • Weile Jia
  • Lin-Wang Wang
  • Lin Lin

Real-time time-dependent density functional theory (rt-TDDFT) with hybrid exchange-correlation functional has wide-ranging applications in chemistry and material science simulations. However, it can be thousands of times more expensive than a conventional ground state DFT simulation, and hence is limited to small systems. In this paper, we accelerate hybrid functional rt-TDDFT calculations using the parallel transport gauge formalism, and the GPU implementation on Summit. Our implementation can efficiently scale to 786 GPUs for a large system with 1536 silicon atoms, and the wall clock time is only 1.5 hours per femtosecond. This unprecedented speed enables the simulation of large systems with more than 1000 atoms using rt-TDDFT and hybrid functional.

  • Xin-Chuan Wu
  • Sheng Di
  • Emma Maitreyee Dasgupta
  • Franck Cappello
  • Hal Finkel
  • Yuri Alexeev
  • Frederic T. Chong

Quantum circuit simulations are critical for evaluating quantum algorithms and machines. However, the number of state amplitudes required for full simulation increases exponentially with the number of qubits. In this study, we leverage data compression to reduce memory requirements, trading computation time and fidelity for memory space. Specifically, we develop a hybrid solution by combining the lossless compression and our tailored lossy compression method with adaptive error bounds at each timestep of the simulation. Our approach optimizes for compression speed and makes sure that errors due to lossy compression are uncorrelated, an important property for comparing simulation output with physical machines. Experiments show that our approach reduces the memory requirement of simulating the 61-qubit Grover's search algorithm from 32 exabytes to 768 terabytes of memory on Argonne's Theta supercomputer using 4,096 nodes. The results suggest that our techniques can increase the simulation size by 2~16 qubits for general quantum circuits.

SESSION: Technical papers: Heterogeneous systems

  • Tal Ben-Nun
  • Johannes de Fine Licht
  • Alexandros N. Ziogas
  • Timo Schneider
  • Torsten Hoefler

The ubiquity of accelerators in high-performance computing has driven programming complexity beyond the skill-set of the average domain scientist. To maintain performance portability in the future, it is imperative to decouple architecture-specific programming paradigms from the underlying scientific computations. We present the Stateful DataFlow multiGraph (SDFG), a data-centric intermediate representation that enables separating program definition from its optimization. By combining fine-grained data dependencies with high-level control-flow, SDFGs are both expressive and amenable to program transformations, such as tiling and double-buffering. These transformations are applied to the SDFG in an interactive process, using extensible pattern matching, graph rewriting, and a graphical user interface. We demonstrate SDFGs on CPUs, GPUs, and FPGAs over various motifs --- from fundamental computational kernels to graph analytics. We show that SDFGs deliver competitive performance, allowing domain scientists to develop applications naturally and port them to approach peak hardware performance without modifying the original scientific code.

  • Tiziano De Matteis
  • Johannes de Fine Licht
  • Jakub Beránek
  • Torsten Hoefler

Distributed memory programming is the established paradigm used in high-performance computing (HPC) systems, requiring explicit communication between nodes and devices. When FPGAs are deployed in distributed settings, communication is typically handled either by going through the host machine, sacrificing performance, or by streaming across fixed device-to-device connections, sacrificing flexibility. We present Streaming Message Interface (SMI), a communication model and API that unifies explicit message passing with a hardware-oriented programming model, facilitating minimal-overhead, flexible, and productive inter-FPGA communication. Instead of bulk transmission, messages are streamed across the network during computation, allowing communication to be seamlessly integrated into pipelined designs. We present a high-level synthesis implementation of SMI targeting a dedicated FPGA interconnect, exposing runtime-configurable routing with support for arbitrary network topologies, and implement a set of distributed memory benchmarks. Using SMI, programmers can implement distributed, scalable HPC programs on reconfigurable hardware, without deviating from best practices for hardware design.

  • Kun Yang
  • Yi-Fan Chen
  • Georgios Roumpos
  • Chris Colby
  • John Anderson

Large-scale deep learning benefits from an emerging class of AI accelerators. Some of these accelerators' designs are general enough for compute-intensive applications beyond AI and Cloud TPU is one such example. In this paper, we demonstrate a novel approach using TensorFlow on Cloud TPU to simulate the two-dimensional Ising Model. TensorFlow and Cloud TPU framework enable the simple and readable code to express the complicated distributed algorithm without compromising the performance. Our code implementation fits into a small Jupyter Notebook and fully utilizes Cloud TPU's efficient matrix operation and dedicated high speed inter-chip connection. The performance is highly competitive: it outperforms the best published benchmarks to our knowledge by 60% in single-core and 250% in multi-core with good linear scaling. When compared to Tesla V100 GPU, the single-core performance maintains a ~10% gain. We also demonstrate that using low precision arithmetic---bfloat16---does not compromise the correctness of the simulation results.

SESSION: Technical papers: Image reconstruction

  • Peng Chen
  • Mohamed Wahib
  • Shinichiro Takizawa
  • Ryousei Takano
  • Satoshi Matsuoka

Computed Tomography (CT) is a widely used technology that requires compute-intense algorithms for image reconstruction. We propose a novel back-projection algorithm that reduces the projection computation cost to 1/6 of the standard algorithm. We also propose an efficient implementation that takes advantage of the heterogeneity of GPU-accelerated systems by overlapping the filtering and back-projection stages on CPUs and GPUs, respectively. Finally, we propose a distributed framework for high-resolution image reconstruction on state-of-the-art GPU-accelerated supercomputers. The framework relies on an elaborate interleave of MPI collective communication steps to achieve scalable communication. Evaluation on a single Tesla V100 GPU demonstrates that our back-projection kernel performs up to 1.6× faster than the standard FDK implementation. We also demonstrate the scalability and instantaneous CT capability of the distributed framework by using up to 2,048 V100 GPUs to solve 4K and 8K problems within 30 seconds and 2 minutes, respectively (including I/O).

  • Mert Hidayetoğlu
  • Tekin Biçer
  • Simon Garcia de Gonzalo
  • Bin Ren
  • Doğa Gürsoy
  • Rajkumar Kettimuthu
  • Ian T. Foster
  • Wen-mei W. Hwu

X-ray computed tomography (XCT)is used regularly at synchrotron light sources to study the internal morphology of materials at high resolution. However, experimental constraints, such as radiation sensitivity, can result in noisy or undersampled measurements. Further, depending on the resolution, sample size and data acquisition rates, the resulting noisy dataset can be terabyte-scale. Advanced iterative reconstruction techniques can produce high-quality images from noisy measurements, but their computational requirements have made their use exception rather than the rule. We propose here a novel memory-centric approach that avoids redundant computations at the expense of additional memory complexity. We develop a system, MemXCT, that uses an optimized SpMV implementation with two-level pseudo-Hilbert ordering and multi-stage input buffering. We evaluate MemXCT on various supercomputer architectures incolving KNL and GPU. MemXCT can reconstruct a large (11K×11K) mouse brain tomogram in ~10 seconds using 4096 KNL nodes (256K cores), the largest iterative reconstruction achieved in near-real time.

  • Xiao Wang
  • Venkatesh Sridhar
  • Zahra Ronaghi
  • Rollin Thomas
  • Jack Deslippe
  • Dilworth Parkinson
  • Gregery T. Buzzard
  • Samuel P. Midkiff
  • Charles A. Bouman
  • Simon K. Warfield

Computed tomography (CT) image reconstruction is a crucial technique for many imaging applications. Among various reconstruction methods, Model-Based Iterative Reconstruction (MBIR) enables super-resolution with superior image quality. MBIR, however, has a high memory requirement that limits the achievable image resolution, and the parallelization for MBIR suffers from limited scalability. In this paper, we propose Asynchronous Consensus MBIR (AC-MBIR) that uses Consensus Equilibrium (CE) to provide a super-resolution algorithm with a small memory footprint, low communication overhead and a high scalability. Super-resolution experiments show that AC-MBIR has a 6.8 times smaller memory footprint and 16 times more scalability, compared with the state-of-the-art MBIR implementation, and maintains a 100% strong scaling efficiency at 146880 cores. In addition, AC-MBIR achieves an average bandwidth of 3.5 petabytes per second at 587520 cores.

SESSION: Technical papers: The fewer tiers, the fewer tears

  • Shaohua Duan
  • Pradeep Subedi
  • Philip E. Davis
  • Manish Parashar

As applications move towards extreme scales, data-related challenges are becoming significant concerns, and in-situ workflows based on data staging and in-situ/in-transit data processing have been proposed to address these challenges. Increasing scale is also expected to result in an increase in the rate of silent data corruption errors, which will impact both the correctness and performance of applications. Furthermore, this impact is amplified in the case of in-situ workflows due to the dataflow between the component applications of the workflow. While existing research has explored silent error detection at the application level, silent error detection for workflows remains an open challenge. This paper addresses silent error detection for extreme scale in-situ workflows. The presented approach leverages idle computation resource in data staging to enable timely detection and recovery from silent data corruption, effectively reducing the propagation of corrupted data and end-to-end workflow execution time in the presence of silent errors. As an illustration of this approach, we use a spatial outlier detection approach in staging to detect errors introduced in data transfer and storage. We also provide a CPU-GPU hybrid staging framework for error detection in order to achieve faster error identification. We have implemented our approach within the DataSpaces staging service, and evaluated it using both synthetic and real workflows on a Cray XK7 system (Titan) at different scales. We demonstrate that, in the presence of silent errors, enabling error detection on staged data alongside a checkpoint/restart scheme improves the total in-situ workflow execution time by up to 22% in comparison with using checkpoint/restart alone.

  • Yingjin Qian
  • Xi Li
  • Shuichi Ihara
  • Andreas Dilger
  • Carlos Thomaz
  • Shilong Wang
  • Wen Cheng
  • Chunyan Li
  • Lingfang Zeng
  • Fang Wang
  • Dan Feng
  • Tim Süß
  • André Brinkmann

Most high-performance computing (HPC) clusters use a global parallel file system to enable high data throughput. The parallel file system is typically centralized and its storage media are physically separated from the compute cluster. Compute nodes as clients of the parallel file system are often additionally equipped with SSDs. The node internal storage media are rarely well-integrated into the I/O and compute workflows. How to make full and flexible use of these storage media is therefore a valuable research question.

In this paper, we propose a hierarchical Persistent Client Caching (LPCC) mechanism for the Lustre file system. LPCC provides two modes: RW-PCC builds a read-write cache on the local SSD of a single client; RO-PCC distributes a read-only cache over the SSDs of multiple clients. LPCC integrates with the Lustre HSM solution and the Lustre layout lock mechanism to provide consistent persistent caching services for I/O applications running on client nodes, meanwhile maintaining a global unified namespace of the entire Lustre file system. The evaluation results presented in this paper show LPCC's advantages for various workloads, enabling even speed-ups linear in the number of clients for several real-world scenarios.

  • Anne Benoit
  • Thomas Herault
  • Valentin Le Fèvre
  • Yves Robert

This paper revisits replication coupled with checkpointing for fail-stop errors. Replication enables the application to survive many fail-stop errors, thereby allowing for longer checkpointing periods. Previously published works use replication with the no-restart strategy, which works as follows: (i) compute the application Mean Time To Interruption (MTTI) M as a function of the number of processor pairs and the individual processor Mean Time Between Failures (MTBF); (ii) use checkpointing period [EQUATION] à la Young/Daly, where C is the checkpoint duration; and (iii) never restart failed processors until the application crashes. We introduce the restart strategy where failed processors are restarted after each checkpoint. We compute the optimal checkpointing period [EQUATION] for this strategy, which is much larger than [EQUATION], thereby decreasing I/O pressure. We show through simulations that using [EQUATION] and the restart strategy, instead of [EQUATION] and the usual no-restart strategy, significantly decreases the overhead induced by replication.