Parallel programming systems for scalable scientific computing

High-performance computing (HPC) systems are more powerful than ever before. However, this rise in performance brings with it greater complexity, presenting significant challenges for researchers who wish to use these systems for their scientific work. This dissertation explores the development of scalable programming solutions for scientific computing. These solutions aim to be effective across a diverse range of computing platforms, from personal desktops to advanced supercomputers.To better understand HPC systems, this dissertation begins with a literature review on exascale supercomputers, massive systems capable of performing 10¹⁸ floating-point operations per second. This review combines both manual and data-driven analyses, revealing that while traditional challenges of exascale computing have largely been addressed, issues like software complexity and data volume remain. Additionally, the dissertation introduces the open-source software tool (called LitStudy) developed for this research.Next, this dissertation introduces two novel programming systems. The first system (called Rocket) is designed to scale all-versus-all algorithms to massive datasets. It features a multi-level software-based cache, a divide-and-conquer approach, hierarchical work-stealing, and asynchronous processing to maximize data reuse, exploit data locality, dynamically balance workloads, and optimize resource utilization. The second system (called Lightning) aims to scale existing single-GPU kernel functions across multiple GPUs, even on different nodes, with minimal code adjustments. Results across eight benchmarks on up to 32 GPUs show excellent scalability.The dissertation concludes by proposing a set of design principles for developing parallel programming systems for scalable scientific computing. These principles, based on lessons from this PhD research, represent significant steps forward in enabling researchers to efficiently utilize HPC systems

Abstracts to Be Presented at the 2015 Supercomputing Conference

Compilation of Abstracts to be presented at the 2015 Supercomputing Conferenc

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

XSEDE: eXtreme Science and Engineering Discovery Environment Third Quarter 2012 Report

The Extreme Science and Engineering Discovery Environment (XSEDE) is the most advanced, powerful, and robust collection of integrated digital resources and services in the world. It is an integrated cyberinfrastructure ecosystem with singular interfaces for allocations, support, and other key services that researchers can use to interactively share computing resources, data, and expertise.This a report of project activities and highlights from the third quarter of 2012.National Science Foundation, OCI-105357

Austrian High-Performance-Computing meeting (AHPC2020)

This booklet is a collection of abstracts presented at the AHPC conference

Indiana University’s advanced cyberinfrastructure in service of IU strategic goals: Activities of the Research Technologies Division of UITS and National Center for Genome Analysis Support – two Pervasive Technology Institute cyberinfrastructure and service centers - during FY2014

This report presents information on the activities of the Research Technologies Division of UITS and the National Center for Genome Analysis Support, two cyberinfrastructure and service centers of the Pervasive Technology Institute. Research Technologies (RT) is a subunit of University Information Technology Services (UITS) and it operates and supports the largest computational, data, and visualization systems at IU. The National Center for Genome Analysis Support (NCGAS) is primarily federally funded, serving the national community of genome scientists. NCGAS leadership is drawn from the Office of the Vice President for Information Technology, UITS, the College, and the School of Informatics and Computing. This report focuses on contributions of RT and NCGAS to accomplishment of IU’s bicentennial goals, and is organized according to those goals. Together the activities of NCGAS and RT represent a large share of the activities of PTI in support of the IU community. PTI’s Research Centers (Data to Insight Center, Digital Science Center, and the Center for Applies Cybersecurity Research) also provide support to the IU community in various forms but the primary focus of these research centers is informatics, information technology, and computer science research