Resilience for large ensemble computations

With the increasing power of supercomputers, ever more detailed models of physical systems can be simulated, and ever larger problem sizes can be considered for any kind of numerical system. During the last twenty years the performance of the fastest clusters went from the teraFLOPS domain (ASCI RED: 2.3 teraFLOPS) to the pre-exaFLOPS domain (Fugaku: 442 petaFLOPS), and we will soon have the first supercomputer with a peak performance cracking the exaFLOPS (El Capitan: 1.5 exaFLOPS). Ensemble techniques experience a renaissance with the availability of those extreme scales. Especially recent techniques, such as particle filters, will benefit from it. Current ensemble methods in climate science, such as ensemble Kalman filters, exhibit a linear dependency between the problem size and the ensemble size, while particle filters show an exponential dependency. Nevertheless, with the prospect of massive computing power come challenges such as power consumption and fault-tolerance. The mean-time-between-failures shrinks with the number of components in the system, and it is expected to have failures every few hours at exascale. In this thesis, we explore and develop techniques to protect large ensemble computations from failures. We present novel approaches in differential checkpointing, elastic recovery, fully asynchronous checkpointing, and checkpoint compression. Furthermore, we design and implement a fault-tolerant particle filter with pre-emptive particle prefetching and caching. And finally, we design and implement a framework for the automatic validation and application of lossy compression in ensemble data assimilation. Altogether, we present five contributions in this thesis, where the first two improve state-of-the-art checkpointing techniques, and the last three address the resilience of ensemble computations. The contributions represent stand-alone fault-tolerance techniques, however, they can also be used to improve the properties of each other. For instance, we utilize elastic recovery (2nd contribution) for mitigating resiliency in an online ensemble data assimilation framework (3rd contribution), and we built our validation framework (5th contribution) on top of our particle filter implementation (4th contribution). We further demonstrate that our contributions improve resilience and performance with experiments on various architectures such as Intel, IBM, and ARM processors.Amb l’increment de les capacitats de còmput dels supercomputadors, es poden simular models de sistemes físics encara més detallats, i es poden resoldre problemes de més grandària en qualsevol tipus de sistema numèric. Durant els últims vint anys, el rendiment dels clústers més ràpids ha passat del domini dels teraFLOPS (ASCI RED: 2.3 teraFLOPS) al domini dels pre-exaFLOPS (Fugaku: 442 petaFLOPS), i aviat tindrem el primer supercomputador amb un rendiment màxim que sobrepassa els exaFLOPS (El Capitan: 1.5 exaFLOPS). Les tècniques d’ensemble experimenten un renaixement amb la disponibilitat d’aquestes escales tan extremes. Especialment les tècniques més noves, com els filtres de partícules, se¿n beneficiaran. Els mètodes d’ensemble actuals en climatologia, com els filtres d’ensemble de Kalman, exhibeixen una dependència lineal entre la mida del problema i la mida de l’ensemble, mentre que els filtres de partícules mostren una dependència exponencial. No obstant, juntament amb les oportunitats de poder computar massivament, apareixen desafiaments com l’alt consum energètic i la necessitat de tolerància a errors. El temps de mitjana entre errors es redueix amb el nombre de components del sistema, i s’espera que els errors s’esdevinguin cada poques hores a exaescala. En aquesta tesis, explorem i desenvolupem tècniques per protegir grans càlculs d’ensemble d’errors. Presentem noves tècniques en punts de control diferencials, recuperació elàstica, punts de control totalment asincrònics i compressió de punts de control. A més, dissenyem i implementem un filtre de partícules tolerant a errors amb captació i emmagatzematge en caché de partícules de manera preventiva. I finalment, dissenyem i implementem un marc per la validació automàtica i l’aplicació de compressió amb pèrdua en l’assimilació de dades d’ensemble. En total, en aquesta tesis presentem cinc contribucions, les dues primeres de les quals milloren les tècniques de punts de control més avançades, mentre que les tres restants aborden la resiliència dels càlculs d’ensemble. Les contribucions representen tècniques independents de tolerància a errors; no obstant, també es poden utilitzar per a millorar les propietats de cadascuna. Per exemple, utilitzem la recuperació elàstica (segona contribució) per a mitigar la resiliència en un marc d’assimilació de dades d’ensemble en línia (tercera contribució), i construïm el nostre marc de validació (cinquena contribució) sobre la nostra implementació del filtre de partícules (quarta contribució). A més, demostrem que les nostres contribucions milloren la resiliència i el rendiment amb experiments en diverses arquitectures, com processadors Intel, IBM i ARM.Postprint (published version

Towards a Mini-App for Smoothed Particle Hydrodynamics at Exascale

The smoothed particle hydrodynamics (SPH) technique is a purely Lagrangian method, used in numerical simulations of fluids in astrophysics and computational fluid dynamics, among many other fields. SPH simulations with detailed physics represent computationally-demanding calculations. The parallelization of SPH codes is not trivial due to the absence of a structured grid. Additionally, the performance of the SPH codes can be, in general, adversely impacted by several factors, such as multiple time-stepping, long-range interactions, and/or boundary conditions. This work presents insights into the current performance and functionalities of three SPH codes: SPHYNX, ChaNGa, and SPH-flow. These codes are the starting point of an interdisciplinary co-design project, SPH-EXA, for the development of an Exascale-ready SPH mini-app. To gain such insights, a rotating square patch test was implemented as a common test simulation for the three SPH codes and analyzed on two modern HPC systems. Furthermore, to stress the differences with the codes stemming from the astrophysics community (SPHYNX and ChaNGa), an additional test case, the Evrard collapse, has also been carried out. This work extrapolates the common basic SPH features in the three codes for the purpose of consolidating them into a pure-SPH, Exascale-ready, optimized, mini-app. Moreover, the outcome of this serves as direct feedback to the parent codes, to improve their performance and overall scalability.Comment: 18 pages, 4 figures, 5 tables, 2018 IEEE International Conference on Cluster Computing proceedings for WRAp1

Resilience for Asynchronous Iterative Methods for Sparse Linear Systems

Large scale simulations are used in a variety of application areas in science and engineering to help forward the progress of innovation. Many spend the vast majority of their computational time attempting to solve large systems of linear equations; typically arising from discretizations of partial differential equations that are used to mathematically model various phenomena. The algorithms used to solve these problems are typically iterative in nature, and making efficient use of computational time on High Performance Computing (HPC) clusters involves constantly improving these iterative algorithms. Future HPC platforms are expected to encounter three main problem areas: scalability of code, reliability of hardware, and energy efficiency of the platform. The HPC resources that are expected to run the large programs are planned to consist of billions of processing units that come from more traditional multicore processors as well as a variety of different hardware accelerators. This growth in parallelism leads to the presence of all three problems. Previously, work on algorithm development has focused primarily on creating fault tolerance mechanisms for traditional iterative solvers. Recent work has begun to revisit using asynchronous methods for solving large scale applications, and this dissertation presents research into fault tolerance for fine-grained methods that are asynchronous in nature. Classical convergence results for asynchronous methods are revisited and modified to account for the possible occurrence of a fault, and a variety of techniques for recovery from the effects of a fault are proposed. Examples of how these techniques can be used are shown for various algorithms, including an analysis of a fine-grained algorithm for computing incomplete factorizations. Lastly, numerous modeling and simulation tools for the further construction of iterative algorithms for HPC applications are developed, including numerical models for simulating faults and a simulation framework that can be used to extrapolate the performance of algorithms towards future HPC systems

Portable Checkpointing for Parallel Applications

High Performance Computing (HPC) systems represent the peak of modern computational capability. As ever-increasing demands for computational power have fuelled the demand for ever-larger computing systems, modern HPC systems have grown to incorporate hundreds, thousands or as many as 130,000 processors. At these scales, the huge number of individual components in a single system makes the probability that a single component will fail quite high, with today's large HPC systems featuring mean times between failures on the order of hours or a few days. As many modern computational tasks require days or months to complete, fault tolerance becomes critical to HPC system design. The past three decades have seen significant amounts of research on parallel system fault tolerance. However, as most of it has been either theoretical or has focused on low-level solutions that are embedded into a particular operating system or type of hardware, this work has had little impact on real HPC systems. This thesis attempts to address this lack of impact by describing a high-level approach for implementing checkpoint/restart functionality that decouples the fault tolerance solution from the details of the operating system, system libraries and the hardware and instead connects it to the APIs implemented by the above components. The resulting solution enables applications that use these APIs to become self-checkpointing and self-restarting regardless of the the software/hardware platform that may implement the APIs. The particular focus of this thesis is on the problem of checkpoint/restart of parallel applications. It presents two theoretical checkpointing protocols, one for the message passing communication model and one for the shared memory model. The former is the first protocol to be compatible with application-level checkpointing of individual processes, while the latter is the first protocol that is compatible with arbitrary shared memory models, APIs, implementations and consistency protocols. These checkpointing protocols are used to implement checkpointing systems for applications that use the MPI and OpenMP parallel APIs, respectively, and are first in providing checkpoint/restart to arbitrary implementations of these popular APIs. Both checkpointing systems are extensively evaluated on multiple software/hardware platforms and are shown to feature low overheads

Why High-Performance Modelling and Simulation for Big Data Applications Matters

Modelling and Simulation (M&S) offer adequate abstractions to manage the complexity of analysing big data in scientific and engineering domains. Unfortunately, big data problems are often not easily amenable to efficient and effective use of High Performance Computing (HPC) facilities and technologies. Furthermore, M&S communities typically lack the detailed expertise required to exploit the full potential of HPC solutions while HPC specialists may not be fully aware of specific modelling and simulation requirements and applications. The COST Action IC1406 High-Performance Modelling and Simulation for Big Data Applications has created a strategic framework to foster interaction between M&S experts from various application domains on the one hand and HPC experts on the other hand to develop effective solutions for big data applications. One of the tangible outcomes of the COST Action is a collection of case studies from various computing domains. Each case study brought together both HPC and M&S experts, giving witness of the effective cross-pollination facilitated by the COST Action. In this introductory article we argue why joining forces between M&S and HPC communities is both timely in the big data era and crucial for success in many application domains. Moreover, we provide an overview on the state of the art in the various research areas concerned

Software for Exascale Computing - SPPEXA 2016-2019

This open access book summarizes the research done and results obtained in the second funding phase of the Priority Program 1648 "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) presented at the SPPEXA Symposium in Dresden during October 21-23, 2019. In that respect, it both represents a continuation of Vol. 113 in Springer’s series Lecture Notes in Computational Science and Engineering, the corresponding report of SPPEXA’s first funding phase, and provides an overview of SPPEXA’s contributions towards exascale computing in today's sumpercomputer technology. The individual chapters address one or more of the research directions (1) computational algorithms, (2) system software, (3) application software, (4) data management and exploration, (5) programming, and (6) software tools. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest

An elastic, parallel and distributed computing architecture for machine learning

Machine learning is a powerful tool that allows us to make better and faster decisions in a data-driven fashion based on training data. Neural networks are especially popular in the context of supervised learning due to their ability to approximate auxiliary functions. However, building these models is typically computationally intensive, which can take significant time to complete on a conventional CPU-based computer. Such a long turnaround time makes business and research infeasible using these models. This research seeks to accelerate this training process through parallel and distributed computing using High-Performance Computing (HPC) resources. To understand machine learning on HPC platforms, theoretical performance analysis from this thesis summarises four key factors for data-parallel machine learning: convergence, batch size, computational and communication efficiency. It is discovered that a maximum computational speed-up exists through parallel and distributed computing for a fixed experimental setup. This primary focus of this thesis is convolutional neural network applications on the Apache Spark platform. The work presented in this thesis directly addresses the computational and communication inefficiencies associated with the Spark platform with improvements to the Resilient Distributed Dataset (RDD) and the introduction of an elastic non-blocking all-reduce. In addition to implementation optimisations, the computational performance has been further improved by overlapping computation and communication, and the use of large batch sizes through fine-grained control. The impacts of these improvements are more prominent with the rise of massively parallel processors and high-speed networks. With all the techniques combined, it is predicted that training the ResNet50 model on the ImageNet dataset for 100 epochs at an effective batch size of 16K will take under 20 minutes on an NVIDIA Tesla P100 cluster, in contrast to 26 months on a single Intel Xeon E5-2660 v3 2.6 GHz processor. Due to the similarities to scientific computing, the resulting computing model of this thesis serves as an exemplar of the integration of high-performance computing and elastic computing with dynamic workloads, which lays the foundation for future research in emerging computational steering applications, such as interactive physics simulations and data assimilation in weather forecast and research

Clustering Arabic Tweets for Sentiment Analysis

The focus of this study is to evaluate the impact of linguistic preprocessing and similarity functions for clustering Arabic Twitter tweets. The experiments apply an optimized version of the standard K-Means algorithm to assign tweets into positive and negative categories. The results show that root-based stemming has a significant advantage over light stemming in all settings. The Averaged Kullback-Leibler Divergence similarity function clearly outperforms the Cosine, Pearson Correlation, Jaccard Coefficient and Euclidean functions. The combination of the Averaged Kullback-Leibler Divergence and root-based stemming achieved the highest purity of 0.764 while the second-best purity was 0.719. These results are of importance as it is contrary to normal-sized documents where, in many information retrieval applications, light stemming performs better than root-based stemming and the Cosine function is commonly used

Proceedings, MSVSCC 2017

Proceedings of the 11th Annual Modeling, Simulation & Visualization Student Capstone Conference held on April 20, 2017 at VMASC in Suffolk, Virginia. 211 pp