Accelerating Network Communication and I/O in Scientific High Performance Computing Environments

High performance computing has become one of the major drivers behind technology inventions and science discoveries. Originally driven through the increase of operating frequencies and technology scaling, a recent slowdown in this evolution has led to the development of multi-core architectures, which are supported by accelerator devices such as graphics processing units (GPUs). With the upcoming exascale era, the overall power consumption and the gap between compute capabilities and I/O bandwidth have become major challenges. Nowadays, the system performance is dominated by the time spent in communication and I/O, which highly depends on the capabilities of the network interface. In order to cope with the extreme concurrency and heterogeneity of future systems, the software ecosystem of the interconnect needs to be carefully tuned to excel in reliability, programmability, and usability. This work identifies and addresses three major gaps in today's interconnect software systems. The I/O gap describes the disparity in operating speeds between the computing capabilities and second storage tiers. The communication gap is introduced through the communication overhead needed to synchronize distributed large-scale applications and the mixed workload. The last gap is the so called concurrency gap, which is introduced through the extreme concurrency and the inflicted learning curve posed to scientific application developers to exploit the hardware capabilities. The first contribution is the introduction of the network-attached accelerator approach, which moves accelerators into a "stand-alone" cluster connected through the Extoll interconnect. The novel communication architecture enables the direct accelerators communication without any host interactions and an optimal application-to-compute-resources mapping. The effectiveness of this approach is evaluated for two classes of accelerators: Intel Xeon Phi coprocessors and NVIDIA GPUs. The next contribution comprises the design, implementation, and evaluation of the support of legacy codes and protocols over the Extoll interconnect technology. By providing TCP/IP protocol support over Extoll, it is shown that the performance benefits of the interconnect can be fully leveraged by a broader range of applications, including the seamless support of legacy codes. The third contribution is twofold. First, a comprehensive analysis of the Lustre networking protocol semantics and interfaces is presented. Afterwards, these insights are utilized to map the LNET protocol semantics onto the Extoll networking technology. The result is a fully functional Lustre network driver for Extoll. An initial performance evaluation demonstrates promising bandwidth and message rate results. The last contribution comprises the design, implementation, and evaluation of two easy-to-use load balancing frameworks, which transparently distribute the I/O workload across all available storage system components. The solutions maximize the parallelization and throughput of file I/O. The frameworks are evaluated on the Titan supercomputing systems for three I/O interfaces. For example for large-scale application runs, POSIX I/O and MPI-IO can be improved by up to 50% on a per job basis, while HDF5 shows performance improvements of up to 32%

Energy Measurements of High Performance Computing Systems: From Instrumentation to Analysis

Energy efficiency is a major criterion for computing in general and High Performance Computing in particular. When optimizing for energy efficiency, it is essential to measure the underlying metric: energy consumption. To fully leverage energy measurements, their quality needs to be well-understood. To that end, this thesis provides a rigorous evaluation of various energy measurement techniques. I demonstrate how the deliberate selection of instrumentation points, sensors, and analog processing schemes can enhance the temporal and spatial resolution while preserving a well-known accuracy. Further, I evaluate a scalable energy measurement solution for production HPC systems and address its shortcomings. Such high-resolution and large-scale measurements present challenges regarding the management of large volumes of generated metric data. I address these challenges with a scalable infrastructure for collecting, storing, and analyzing metric data. With this infrastructure, I also introduce a novel persistent storage scheme for metric time series data, which allows efficient queries for aggregate timelines. To ensure that it satisfies the demanding requirements for scalable power measurements, I conduct an extensive performance evaluation and describe a productive deployment of the infrastructure. Finally, I describe different approaches and practical examples of analyses based on energy measurement data. In particular, I focus on the combination of energy measurements and application performance traces. However, interweaving fine-grained power recordings and application events requires accurately synchronized timestamps on both sides. To overcome this obstacle, I develop a resilient and automated technique for time synchronization, which utilizes crosscorrelation of a specifically influenced power measurement signal. Ultimately, this careful combination of sophisticated energy measurements and application performance traces yields a detailed insight into application and system energy efficiency at full-scale HPC systems and down to millisecond-range regions.:1 Introduction 2 Background and Related Work 2.1 Basic Concepts of Energy Measurements 2.1.1 Basics of Metrology 2.1.2 Measuring Voltage, Current, and Power 2.1.3 Measurement Signal Conditioning and Analog-to-Digital Conversion 2.2 Power Measurements for Computing Systems 2.2.1 Measuring Compute Nodes using External Power Meters 2.2.2 Custom Solutions for Measuring Compute Node Power 2.2.3 Measurement Solutions of System Integrators 2.2.4 CPU Energy Counters 2.2.5 Using Models to Determine Energy Consumption 2.3 Processing of Power Measurement Data 2.3.1 Time Series Databases 2.3.2 Data Center Monitoring Systems 2.4 Influences on the Energy Consumption of Computing Systems 2.4.1 Processor Power Consumption Breakdown 2.4.2 Energy-Efficient Hardware Configuration 2.5 HPC Performance and Energy Analysis 2.5.1 Performance Analysis Techniques 2.5.2 HPC Performance Analysis Tools 2.5.3 Combining Application and Power Measurements 2.6 Conclusion 3 Evaluating and Improving Energy Measurements 3.1 Description of the Systems Under Test 3.2 Instrumentation Points and Measurement Sensors 3.2.1 Analog Measurement at Voltage Regulators 3.2.2 Instrumentation with Hall Effect Transducers 3.2.3 Modular Instrumentation of DC Consumers 3.2.4 Optimal Wiring for Shunt-Based Measurements 3.2.5 Node-Level Instrumentation for HPC Systems 3.3 Analog Signal Conditioning and Analog-to-Digital Conversion 3.3.1 Signal Amplification 3.3.2 Analog Filtering and Analog-To-Digital Conversion 3.3.3 Integrated Solutions for High-Resolution Measurement 3.4 Accuracy Evaluation and Calibration 3.4.1 Synthetic Workloads for Evaluating Power Measurements 3.4.2 Improving and Evaluating the Accuracy of a Single-Node Measuring System 3.4.3 Absolute Accuracy Evaluation of a Many-Node Measuring System 3.5 Evaluating Temporal Granularity and Energy Correctness 3.5.1 Measurement Signal Bandwidth at Different Instrumentation Points 3.5.2 Retaining Energy Correctness During Digital Processing 3.6 Evaluating CPU Energy Counters 3.6.1 Energy Readouts with RAPL 3.6.2 Methodology 3.6.3 RAPL on Intel Sandy Bridge-EP 3.6.4 RAPL on Intel Haswell-EP and Skylake-SP 3.7 Conclusion 4 A Scalable Infrastructure for Processing Power Measurement Data 4.1 Requirements for Power Measurement Data Processing 4.2 Concepts and Implementation of Measurement Data Management 4.2.1 Message-Based Communication between Agents 4.2.2 Protocols 4.2.3 Application Programming Interfaces 4.2.4 Efficient Metric Time Series Storage and Retrieval 4.2.5 Hierarchical Timeline Aggregation 4.3 Performance Evaluation 4.3.1 Benchmark Hardware Specifications 4.3.2 Throughput in Symmetric Configuration with Replication 4.3.3 Throughput with Many Data Sources and Single Consumers 4.3.4 Temporary Storage in Message Queues 4.3.5 Persistent Metric Time Series Request Performance 4.3.6 Performance Comparison with Contemporary Time Series Storage Solutions 4.3.7 Practical Usage of MetricQ 4.4 Conclusion 5 Energy Efficiency Analysis 5.1 General Energy Efficiency Analysis Scenarios 5.1.1 Live Visualization of Power Measurements 5.1.2 Visualization of Long-Term Measurements 5.1.3 Integration in Application Performance Traces 5.1.4 Graphical Analysis of Application Power Traces 5.2 Correlating Power Measurements with Application Events 5.2.1 Challenges for Time Synchronization of Power Measurements 5.2.2 Reliable Automatic Time Synchronization with Correlation Sequences 5.2.3 Creating a Correlation Signal on a Power Measurement Channel 5.2.4 Processing the Correlation Signal and Measured Power Values 5.2.5 Common Oversampling of the Correlation Signals at Different Rates 5.2.6 Evaluation of Correlation and Time Synchronization 5.3 Use Cases for Application Power Traces 5.3.1 Analyzing Complex Power Anomalies 5.3.2 Quantifying C-State Transitions 5.3.3 Measuring the Dynamic Power Consumption of HPC Applications 5.4 Conclusion 6 Summary and Outloo

The Fifth Workshop on HPC Best Practices: File Systems and Archives

The workshop on High Performance Computing (HPC) Best Practices on File Systems and Archives was the fifth in a series sponsored jointly by the Department Of Energy (DOE) Office of Science and DOE National Nuclear Security Administration. The workshop gathered technical and management experts for operations of HPC file systems and archives from around the world. Attendees identified and discussed best practices in use at their facilities, and documented findings for the DOE and HPC community in this report

Artificial Intelligence in Oncology Drug Discovery and Development

There exists a profound conflict at the heart of oncology drug development. The efficiency of the drug development process is falling, leading to higher costs per approved drug, at the same time personalised medicine is limiting the target market of each new medicine. Even as the global economic burden of cancer increases, the current paradigm in drug development is unsustainable. In this book, we discuss the development of techniques in machine learning for improving the efficiency of oncology drug development and delivering cost-effective precision treatment. We consider how to structure data for drug repurposing and target identification, how to improve clinical trials and how patients may view artificial intelligence

A reference model for integrated energy and power management of HPC systems

Optimizing a computer for highest performance dictates the efficient use of its limited resources. Computers as a whole are rather complex. Therefore, it is not sufficient to consider optimizing hardware and software components independently. Instead, a holistic view to manage the interactions of all components is essential to achieve system-wide efficiency. For High Performance Computing (HPC) systems, today, the major limiting resources are energy and power. The hardware mechanisms to measure and control energy and power are exposed to software. The software systems using these mechanisms range from firmware, operating system, system software to tools and applications. Efforts to improve energy and power efficiency of HPC systems and the infrastructure of HPC centers achieve perpetual advances. In isolation, these efforts are unable to cope with the rising energy and power demands of large scale systems. A systematic way to integrate multiple optimization strategies, which build on complementary, interacting hardware and software systems is missing. This work provides a reference model for integrated energy and power management of HPC systems: the Open Integrated Energy and Power (OIEP) reference model. The goal is to enable the implementation, setup, and maintenance of modular system-wide energy and power management solutions. The proposed model goes beyond current practices, which focus on individual HPC centers or implementations, in that it allows to universally describe any hierarchical energy and power management systems with a multitude of requirements. The model builds solid foundations to be understandable and verifiable, to guarantee stable interaction of hardware and software components, for a known and trusted chain of command. This work identifies the main building blocks of the OIEP reference model, describes their abstract setup, and shows concrete instances thereof. A principal aspect is how the individual components are connected, interface in a hierarchical manner and thus can optimize for the global policy, pursued as a computing center's operating strategy. In addition to the reference model itself, a method for applying the reference model is presented. This method is used to show the practicality of the reference model and its application. For future research in energy and power management of HPC systems, the OIEP reference model forms a cornerstone to realize --- plan, develop and integrate --- innovative energy and power management solutions. For HPC systems themselves, it supports to transparently manage current systems with their inherent complexity, it allows to integrate novel solutions into existing setups, and it enables to design new systems from scratch. In fact, the OIEP reference model represents a basis for holistic efficient optimization.Computer auf höchstmögliche Rechenleistung zu optimieren bedingt Effizienzmaximierung aller limitierenden Ressourcen. Computer sind komplexe Systeme. Deshalb ist es nicht ausreichend, Hardware und Software isoliert zu betrachten. Stattdessen ist eine Gesamtsicht des Systems notwendig, um die Interaktionen aller Einzelkomponenten zu organisieren und systemweite Optimierungen zu ermöglichen. Für Höchstleistungsrechner (HLR) ist die limitierende Ressource heute ihre Leistungsaufnahme und der resultierende Gesamtenergieverbrauch. In aktuellen HLR-Systemen sind Energie- und Leistungsaufnahme programmatisch auslesbar als auch direkt und indirekt steuerbar. Diese Mechanismen werden in diversen Softwarekomponenten von Firmware, Betriebssystem, Systemsoftware bis hin zu Werkzeugen und Anwendungen genutzt und stetig weiterentwickelt. Durch die Komplexität der interagierenden Systeme ist eine systematische Optimierung des Gesamtsystems nur schwer durchführbar, als auch nachvollziehbar. Ein methodisches Vorgehen zur Integration verschiedener Optimierungsansätze, die auf komplementäre, interagierende Hardware- und Softwaresysteme aufbauen, fehlt. Diese Arbeit beschreibt ein Referenzmodell für integriertes Energie- und Leistungsmanagement von HLR-Systemen, das „Open Integrated Energy and Power (OIEP)“ Referenzmodell. Das Ziel ist ein Referenzmodell, dass die Entwicklung von modularen, systemweiten energie- und leistungsoptimierenden Sofware-Verbunden ermöglicht und diese als allgemeines hierarchisches Managementsystem beschreibt. Dies hebt das Modell von bisherigen Ansätzen ab, welche sich auf Einzellösungen, spezifischen Software oder die Bedürfnisse einzelner Rechenzentren beschränken. Dazu beschreibt es Grundlagen für ein planbares und verifizierbares Gesamtsystem und erlaubt nachvollziehbares und sicheres Delegieren von Energie- und Leistungsmanagement an Untersysteme unter Aufrechterhaltung der Befehlskette. Die Arbeit liefert die Grundlagen des Referenzmodells. Hierbei werden die Einzelkomponenten der Software-Verbunde identifiziert, deren abstrakter Aufbau sowie konkrete Instanziierungen gezeigt. Spezielles Augenmerk liegt auf dem hierarchischen Aufbau und der resultierenden Interaktionen der Komponenten. Die allgemeine Beschreibung des Referenzmodells erlaubt den Entwurf von Systemarchitekturen, welche letztendlich die Effizienzmaximierung der Ressource Energie mit den gegebenen Mechanismen ganzheitlich umsetzen können. Hierfür wird ein Verfahren zur methodischen Anwendung des Referenzmodells beschrieben, welches die Modellierung beliebiger Energie- und Leistungsverwaltungssystemen ermöglicht. Für Forschung im Bereich des Energie- und Leistungsmanagement für HLR bildet das OIEP Referenzmodell Eckstein, um Planung, Entwicklung und Integration von innovativen Lösungen umzusetzen. Für die HLR-Systeme selbst unterstützt es nachvollziehbare Verwaltung der komplexen Systeme und bietet die Möglichkeit, neue Beschaffungen und Entwicklungen erfolgreich zu integrieren. Das OIEP Referenzmodell bietet somit ein Fundament für gesamtheitliche effiziente Systemoptimierung

Architecture à qualité de service pour systèmes satellites DVB-S/RCS dans un contexte NGN

L'objet de cette thèse est de doter les réseaux satellites d'accès géostationnaires d'une architecture de QoS compatible avec l'infrastructure NGN (Next Generation Network) qui entend réaliser la convergence des réseaux et services de communication existants et à venir. Dans une première étape, nous établissons un modèle de QoS NGN s'inspirant principalement de l'évolution des architectures de QoS dans les réseaux IP. Dans une deuxième étape, nous démontrons que les réseaux satellites ne disposent pas, en l'état actuel, d'une architecture de QoS suffisamment mature pour assurer un accès large bande aux futurs services IP multimédias. Afin d'y remédier, nous spécifions une architecture de QoS NGN unifiée assurant une étroite collaboration entre les mécanismes de QoS déployés à différents niveaux de communication (Application, Session, Réseau et MAC). Elle assure à la fois une différenciation de la QoS adaptée aux besoins des différentes classes d'applications au niveau IP tout en optimisant l'utilisation des ressources satellites via des mécanismes de bande passante à la demande au niveau MAC. Deux solutions applicatives assurant la corrélation dynamique entre les applications et les services réseaux différenciés sont également spécifiées et implémentées. Enfin un émulateur satellite de niveau réseau a été implémenté et nous a permis d'évaluer les garanties de QoS offertes par notre architecture et de valider leur conformité avec les besoins d'applications multimédias réelles. ABSTRACT : This thesis deals with the integration of geostationary access satellite networks in the NGN (Next Generation Network) infrastructure, a global QoS-enabled communication network based on IP. The first part depicts this multiservice ubiquitous infrastructure anchored on a clean separation between a transport/network domain and a service/application domain. Then a unified NGN control and management architecture, mainly inspired by the past and current IP QoS architectures, is proposed. In a second part, starting from this model and through a critical analysis of current DVB-S/RCS satellite systems, we demonstrate that satellite QoS architectures are not mature enough to support broadband access to future multimedia services and to integrate into the emerging NGN infrastructure. In order to cope with these issues, a NGNcompliant QoS architecture for DVB-S/RCS systems is defined. It relies on a cross-layer approach based on a tight interaction between QoS mechanisms available at different communication layers (Application, Session, Network and MAC). It aims at maximizing satellite capacity utilization at different granularity levels through a relevant configuration of DiffServ services using session/application signalling information and the use of optimized bandwidth on demand allocation schemes at the MAC layer. Application solutions (QoS Agent and QoS SIP Proxy) were developed while the satellite network with its associated QoS architecture was implemented through a network emulator. This latter enables us to evaluate the QoS guarantees provided by this architecture and to validate its appropriateness with real multimedia applications needs

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

Adaptive Receiver Design for High Speed Optical Communication

Conventional input/output (IO) links consume power, independent of changes in the bandwidth demand by the system they are deployed in. As the system is designed to satisfy the peak bandwidth demand, most of the time the IO links are idle but still consuming power. In big data centers, the overall utilization ratio of IO links is less than 10%, corresponding to a large amount of energy wasted for idle operation. This work demonstrates a 60 Gb/s high sensitivity non-return-to-zero (NRZ) optical receiver in 14 nm FinFET technology with less than 7 ns power-on time. The power on time includes the data detection, analog bias settling, photo-diode DC current cancellation, and phase locking by the clock and data recovery circuit (CDR). The receiver autonomously detects the data demand on the link via a proposed link protocol and does not require any external enable or disable signals. The proposed link protocol is designed to minimize the off-state power consumption and power-on time of the link. In order to achieve high data-rate and high-sensitivity while maintaining the power budget, a 1-tap decision feedback equalization method is applied in digital domain. The sensitivity is measured to be -8 dBm, -11 dBm, and -13 dBm OMA (optical modulation amplitude) at 60 Gb/s, 48 Gb/s, and 32 Gb/s data rates, respectively. The energy efficiency in always-on mode is around 2.2 pJ/bit for all data-rates with the help of supply and bias scaling. The receiver incorporates a phase interpolator based clock-and-data recovery circuit with approximately 80 MHz jitter-tolerance corner frequency, thanks to the low-latency full custom CDR logic design. This work demonstrates the fastest ever reported CMOS optical receiver and runs almost at twice the data-rate of the state-of-the-art CMOS optical receiver by the time of the publication. The data-rate is comparable to BiCMOS optical receivers but at a fraction of the power consumption

Digital Interaction and Machine Intelligence

This book is open access, which means that you have free and unlimited access. This book presents the Proceedings of the 9th Machine Intelligence and Digital Interaction Conference. Significant progress in the development of artificial intelligence (AI) and its wider use in many interactive products are quickly transforming further areas of our life, which results in the emergence of various new social phenomena. Many countries have been making efforts to understand these phenomena and find answers on how to put the development of artificial intelligence on the right track to support the common good of people and societies. These attempts require interdisciplinary actions, covering not only science disciplines involved in the development of artificial intelligence and human-computer interaction but also close cooperation between researchers and practitioners. For this reason, the main goal of the MIDI conference held on 9-10.12.2021 as a virtual event is to integrate two, until recently, independent fields of research in computer science: broadly understood artificial intelligence and human-technology interaction