Productive Programming Systems for Heterogeneous Supercomputers

The majority of today's scientific and data analytics workloads are still run on relatively energy inefficient, heavyweight, general-purpose processing cores, often referred to in the literature as latency-oriented architectures. The flexibility of these architectures and the programmer aids included (e.g. large and deep cache hierarchies, branch prediction logic, pre-fetch logic) makes them flexible enough to run a wide range of applications fast. However, we have started to see growth in the use of lightweight, simpler, energy-efficient, and functionally constrained cores. These architectures are commonly referred to as throughput-oriented. Within each shared memory node, the computational backbone of future throughput-oriented HPC machines will consist of large pools of lightweight cores. The first wave of throughput-oriented computing came in the mid 2000's with the use of GPUs for general-purpose and scientific computing. Today we are entering the second wave of throughput-oriented computing, with the introduction of NVIDIA Pascal GPUs, Intel Knights Landing Xeon Phi processors, the Epiphany Co-Processor, the Sunway MPP, and other throughput-oriented architectures that enable pre-exascale computing. However, while the majority of the FLOPS in designs for future HPC systems come from throughput-oriented architectures, they are still commonly paired with latency-oriented cores which handle management functions and lightweight/un-parallelizable computational kernels. Hence, most future HPC machines will be heterogeneous in their processing cores. However, the heterogeneity of future machines will not be limited to the processing elements. Indeed, heterogeneity will also exist in the storage, networking, memory, and software stacks of future supercomputers. As a result, it will be necessary to combine many different programming models and libraries in a single application. How to do so in a programmable and well-performing manner is an open research question. This thesis addresses this question using two approaches. First, we explore using managed runtimes on HPC platforms. As a result of their high-level programming models, these managed runtimes have a long history of supporting data analytics workloads on commodity hardware, but often come with overheads which make them less common in the HPC domain. Managed runtimes are also not supported natively on throughput-oriented architectures. Second, we explore the use of a modular programming model and work-stealing runtime to compose the programming and scheduling of multiple third-party HPC libraries. This approach leverages existing investment in HPC libraries, unifies the scheduling of work on a platform, and is designed to quickly support new programming model and runtime extensions. In support of these two approaches, this thesis also makes novel contributions in tooling for future supercomputers. We demonstrate the value of checkpoints as a software development tool on current and future HPC machines, and present novel techniques in performance prediction across heterogeneous cores

Optimization of Computationally and I/O Intense Patterns in Electronic Structure and Machine Learning Algorithms

Development of scalable High-Performance Computing (HPC) applications is already a challenging task even in the pre-Exascale era. Utilization of the full potential of (near-)future supercomputers will most likely require the mastery of massively parallel heterogeneous architectures with multi-tier persistence systems, ideally in fault tolerant mode. With the change in hardware architectures HPC applications are also widening their scope to `Big data' processing and analytics using machine learning algorithms and neural networks. In this work, in cooperation with the INTERTWinE FET-HPC project, we demonstrate how the GASPI (Global Address Space Programming Interface) programming model helps to address these Exascale challenges on examples of tensor contraction, K-means and Terasort algorithms

Evaluating technologies and techniques for transitioning hydrodynamics applications to future generations of supercomputers

Current supercomputer development trends present severe challenges for scientific codebases. Moore’s law continues to hold, however, power constraints have brought an end to Dennard scaling, forcing significant increases in overall concurrency. The performance imbalance between the processor and memory sub-systems is also increasing and architectures are becoming significantly more complex. Scientific computing centres need to harness more computational resources in order to facilitate new scientific insights and maintaining their codebases requires significant investments. Centres therefore have to decide how best to develop their applications to take advantage of future architectures. To prevent vendor "lock-in" and maximise investments, achieving portableperformance across multiple architectures is also a significant concern. Efficiently scaling applications will be essential for achieving improvements in science and the MPI (Message Passing Interface) only model is reaching its scalability limits. Hybrid approaches which utilise shared memory programming models are a promising approach for improving scalability. Additionally PGAS (Partitioned Global Address Space) models have the potential to address productivity and scalability concerns. Furthermore, OpenCL has been developed with the aim of enabling applications to achieve portable-performance across a range of heterogeneous architectures. This research examines approaches for achieving greater levels of performance for hydrodynamics applications on future supercomputer architectures. The development of a Lagrangian-Eulerian hydrodynamics application is presented together with its utility for conducting such research. Strategies for improving application performance, including PGAS- and hybrid-based approaches are evaluated at large node-counts on several state-of-the-art architectures. Techniques to maximise the performance and scalability of OpenMP-based hybrid implementations are presented together with an assessment of how these constructs should be combined with existing approaches. OpenCL is evaluated as an additional technology for implementing a hybrid programming model and improving performance-portability. To enhance productivity several tools for automatically hybridising applications and improving process-to-topology mappings are evaluated. Power constraints are starting to limit supercomputer deployments, potentially necessitating the use of more energy efficient technologies. Advanced processor architectures are therefore evaluated as future candidate technologies, together with several application optimisations which will likely be necessary. An FPGA-based solution is examined, including an analysis of how effectively it can be utilised via a high-level programming model, as an alternative to the specialist approaches which currently limit the applicability of this technology

A Simple MPI Library for Lightweight Manycore Processors

TCC(graduação) - Universidade Federal de Santa Catarina. Centro Tecnológico. Ciências da Computação.Nas últimas décadas, melhorar o desempenho de núcleos individuais e aumentar o nú- mero de núcleos de alta potência por chip foram as principais tendências na construção de processadores. No entanto, esta combinação levou não apenas a um aumento no poder computacional, mas também a um aumento considerável no seu consumo de energia. Há uma preocupação crescente entre a comunidade científica a respeito da eficiência ener- gética dos supercomputadores modernos. Nos últimos anos, muitos esforços têm sido feitos em pesquisas, buscando soluções alternativas capazes de resolver este problema de escalabilidade e eficiência energética. O desempenho e a eficiência energética providos pelos manycores leves são inegáveis. Contudo, a falta de suporte avançado e portátil para esses processadores, como interfaces padrão de alto desempenho para o desenvolvi- mento de código portável, torna o desenvolvimento de software um desafio. Atualmente, duas abordagens são empregadas tentando aumentar a programabilidade em manycores leves: Sistemas operacionais (SOs) e sistemas de execução (runtimes). A primeira fornece portabilidade mas expõe interfaces de programação complexas no nível do SO aos desen- volvedores. Já a segunda se concentra em fornecer interfaces ricas e de alto desempenho, as quais são específicas do fabricante e resultam em software não portável. Portanto, as soluções existentes forçam os desenvolvedores a escolher entre a portabilidade do software ou um processo de desenvolvimento mais rápido. Para resolver esse dilema, neste traba- lho é proposta uma biblioteca MPI leve e portável (LWMPI) projetada do zero para lidar com as restrições e complexidades dos manycores leves. A LWMPI foi integrada a um SO direcionado a esses processadores, oferecendo assim uma melhor programabilidade e portabilidade implícita para manycores leves, sem incorrer em sobrecargas de desempe- nho excessivas que inviabilizariam o seu uso. Para fornecer uma avaliação abrangente da LWMPI, foram utilizadas três aplicações de uma suíte de benchmarking representativa, usada para avaliar o desempenho de manycores leves, além de um benchmark sintético. Os resultados obtidos no processador Kalray MPPA-256 revelaram que a LWMPI atinge uma performance e uma escalabilidade de desempenho melhor do que uma solução feita especificamente para essa análise e que se utiliza puramente das abstrações de IPC do Nanvix, ao mesmo tempo em que oferece uma interface de programação mais rica.In the last decades, improving the performance of individual cores and increasing the number of high power cores per chip were the main trends in the construction of proces- sors. However, this combination led not only to an increase in the computing capacity, but also to a considerable growth in energy consumption. There is a crescent concern among the scientific community about the energy efficiency of modern supercomputers. In the last years, many efforts have been made in research, searching for alternative solutions capable of solving this problem of scalability and energy efficiency. The performance and energy efficiency provided by lightweight manycores is undeniable. Although, the lack of rich and portable support for these processors, such as high-performance standard inter- faces that deliver portable source codes, makes software development a challenging task. Currently, two approaches are employed trying to improve programmability in lightweight manycores: Operating Systems (OSes) and baremetal runtime systems. The former pro- vides portability but exposes complex OS-level programming interfaces to developers. The latter focuses on providing rich and high performance interfaces, which are vendor- specific and yield to non-portable software. Thus, the existing solutions force software engineers to choose between software portability or a faster development process. To address this dilemma, we propose a portable and lightweight MPI library (LWMPI) de- signed from scratch to cope with restrictions and intricacies of lightweight manycores. We integrated LWMPI into a distributed OS that targets these processors, thus featuring bet- ter programmability and implicit portability for lightweight manycores, without incurring excessive performance overheads that could hinder its use. To deliver a comprehensive evaluation of LWMPI, we relied on three applications from a representative benchmark suite used to assess the performance of lightweight manycores, and a synthetic benchmark. Our results obtained on the Kalray MPPA-256 processor unveiled that LWMPI present better performance and scalability when compared with a specifically made solution that uses the raw Nanvix Inter-Process Communication (IPC) abstractions, while exposing a richer programming interface

Scalable Applications on Heterogeneous System Architectures: A Systematic Performance Analysis Framework

The efficient parallel execution of scientific applications is a key challenge in high-performance computing (HPC). With growing parallelism and heterogeneity of compute resources as well as increasingly complex software, performance analysis has become an indispensable tool in the development and optimization of parallel programs. This thesis presents a framework for systematic performance analysis of scalable, heterogeneous applications. Based on event traces, it automatically detects the critical path and inefficiencies that result in waiting or idle time, e.g. due to load imbalances between parallel execution streams. As a prerequisite for the analysis of heterogeneous programs, this thesis specifies inefficiency patterns for computation offloading. Furthermore, an essential contribution was made to the development of tool interfaces for OpenACC and OpenMP, which enable a portable data acquisition and a subsequent analysis for programs with offload directives. At present, these interfaces are already part of the latest OpenACC and OpenMP API specification. The aforementioned work, existing preliminary work, and established analysis methods are combined into a generic analysis process, which can be applied across programming models. Based on the detection of wait or idle states, which can propagate over several levels of parallelism, the analysis identifies wasted computing resources and their root cause as well as the critical-path share for each program region. Thus, it determines the influence of program regions on the load balancing between execution streams and the program runtime. The analysis results include a summary of the detected inefficiency patterns and a program trace, enhanced with information about wait states, their cause, and the critical path. In addition, a ranking, based on the amount of waiting time a program region caused on the critical path, highlights program regions that are relevant for program optimization. The scalability of the proposed performance analysis and its implementation is demonstrated using High-Performance Linpack (HPL), while the analysis results are validated with synthetic programs. A scientific application that uses MPI, OpenMP, and CUDA simultaneously is investigated in order to show the applicability of the analysis

Parallel Asynchronous Matrix Multiplication for a Distributed Pipelined Neural Network

Machine learning is an approach to devise algorithms that compute an output without a given rule set but based on a self-learning concept. This approach is of great importance for several fields of applications in science and industry where traditional programming methods are not sufficient. In neural networks, a popular subclass of machine learning algorithms, commonly previous experience is used to train the network and produce good outputs for newly introduced inputs. By increasing the size of the network more complex problems can be solved which again rely on a huge amount of training data. Increasing the complexity also leads to higher computational demand and storage requirements and to the need for parallelization. Several parallelization approaches of neural networks have already been considered. Most approaches use special purpose hardware whilst other work focuses on using standard hardware. Often these approaches target the problem by parallelizing the training data. In this work a new parallelization method named poadSGD is proposed for the parallelization of fully-connected, largescale feedforward networks on a compute cluster with standard hardware. poadSGD is based on the stochastic gradient descent algorithm. A block-wise distribution of the network's layers to groups of processes and a pipelining scheme for batches of the training samples are used. The network is updated asynchronously without interrupting ongoing computations of subsequent batches. For this task a one-sided communication scheme is used. A main algorithmic part of the batch-wise pipelined version consists of matrix multiplications which occur for a special distributed setup, where each matrix is held by a different process group. GASPI, a parallel programming model from the field of "Partitioned Global Address Spaces" (PGAS) models is introduced and compared to other models from this class. As it mainly relies on one-sided and asynchronous communication it is a perfect candidate for the asynchronous update task in the poadSGD algorithm. Therefore, the matrix multiplication is also implemented based GASPI. In order to efficiently handle upcoming synchronizations within the process groups and achieve a good workload distribution, a two-dimensional block-cyclic data distribution is applied for the matrices. Based on this distribution, the multiplication algorithm is computed by diagonally iterating over the sub blocks of the resulting matrix and computing the sub blocks in subgroups of the processes. The sub blocks are computed by sharing the workload between the process groups and communicating mostly in pairs or in subgroups. The communication in pairs is set up to be overlapped by other ongoing computations. The implementations provide a special challenge, since the asynchronous communication routines must be handled with care as to which processor is working at what point in time with which data in order to prevent an unintentional dual use of data. The theoretical analysis shows the matrix multiplication to be superior to a naive implementation when the dimension of the sub blocks of the matrices exceeds 382. The performance achieved in the test runs did not withstand the expectations the theoretical analysis predicted. The algorithm is executed on up to 512 cores and for matrices up to a size of 131,072 x 131,072. The implementation using the GASPI API was found not be straightforward but to provide a good potential for overlapping communication with computations whenever the data dependencies of an application allow for it. The matrix multiplication was successfully implemented and can be used within an implementation of the poadSGD method that is yet to come. The poadSGD method seems to be very promising, especially as nowadays, with the larger amount of data and the increased complexity of the applications, the approaches to parallelization of neural networks are increasingly of interest

Resource-aware Programming in a High-level Language - Improved performance with manageable effort on clustered MPSoCs

Bis 2001 bedeutete Moores und Dennards Gesetz eine Verdoppelung der Ausführungszeit alle 18 Monate durch verbesserte CPUs. Heute ist Nebenläufigkeit das dominante Mittel zur Beschleunigung von Supercomputern bis zu mobilen Geräten. Allerdings behindern neuere Phänomene wie "Dark Silicon" zunehmend eine weitere Beschleunigung durch Hardware. Um weitere Beschleunigung zu erreichen muss sich auch die Soft­ware mehr ihrer Hardware Resourcen gewahr werden. Verbunden mit diesem Phänomen ist eine immer heterogenere Hardware. Supercomputer integrieren Beschleuniger wie GPUs. Mobile SoCs (bspw. Smartphones) integrieren immer mehr Fähigkeiten. Spezialhardware auszunutzen ist eine bekannte Methode, um den Energieverbrauch zu senken, was ein weiterer wichtiger Aspekt ist, welcher mit der reinen Geschwindigkeit abgewogen werde muss. Zum Beispiel werden Supercomputer auch nach "Performance pro Watt" bewertet. Zur Zeit sind systemnahe low-level Programmierer es gewohnt über Hardware nachzudenken, während der gemeine high-level Programmierer es vorzieht von der Plattform möglichst zu abstrahieren (bspw. Cloud). "High-level" bedeutet nicht, dass Hardware irrelevant ist, sondern dass sie abstrahiert werden kann. Falls Sie eine Java-Anwendung für Android entwickeln, kann der Akku ein wichtiger Aspekt sein. Irgendwann müssen aber auch Hochsprachen resourcengewahr werden, um Geschwindigkeit oder Energieverbrauch zu verbessern. Innerhalb des Transregio "Invasive Computing" habe ich an diesen Problemen gearbeitet. In meiner Dissertation stelle ich ein Framework vor, mit dem man Hochsprachenanwendungen resourcengewahr machen kann, um so die Leistung zu verbessern. Das könnte beispielsweise erhöhte Effizienz oder schnellerer Ausführung für das System als Ganzes bringen. Ein Kerngedanke dabei ist, dass Anwendungen sich nicht selbst optimieren. Stattdessen geben sie alle Informationen an das Betriebssystem. Das Betriebssystem hat eine globale Sicht und trifft Entscheidungen über die Resourcen. Diesen Prozess nennen wir "Invasion". Die Aufgabe der Anwendung ist es, sich an diese Entscheidungen anzupassen, aber nicht selbst welche zu fällen. Die Herausforderung besteht darin eine Sprache zu definieren, mit der Anwendungen Resourcenbedingungen und Leistungsinformationen kommunizieren. So eine Sprache muss ausdrucksstark genug für komplexe Informationen, erweiterbar für neue Resourcentypen, und angenehm für den Programmierer sein. Die zentralen Beiträge dieser Dissertation sind: Ein theoretisches Modell der Resourcen-Verwaltung, um die Essenz des resourcengewahren Frameworks zu beschreiben, die Korrektheit der Entscheidungen des Betriebssystems bezüglich der Bedingungen einer Anwendung zu begründen und zum Beweis meiner Thesen von Effizienz und Beschleunigung in der Theorie. Ein Framework und eine Übersetzungspfad resourcengewahrer Programmierung für die Hochsprache X10. Zur Bewertung des Ansatzes haben wir Anwendungen aus dem High Performance Computing implementiert. Eine Beschleunigung von 5x konnte gemessen werden. Ein Speicherkonsistenzmodell für die X10 Programmiersprache, da dies ein notwendiger Schritt zu einer formalen Semantik ist, die das theoretische Modell und die konkrete Implementierung verknüpft. Zusammengefasst zeige ich, dass resourcengewahre Programmierung in Hoch\-sprachen auf zukünftigen Architekturen mit vielen Kernen mit vertretbarem Aufwand machbar ist und die Leistung verbessert