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

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

ScalAna: Automating Scaling Loss Detection with Graph Analysis

Scaling a parallel program to modern supercomputers is challenging due to inter-process communication, Amdahl's law, and resource contention. Performance analysis tools for finding such scaling bottlenecks either base on profiling or tracing. Profiling incurs low overheads but does not capture detailed dependencies needed for root-cause analysis. Tracing collects all information at prohibitive overheads. In this work, we design ScalAna that uses static analysis techniques to achieve the best of both worlds - it enables the analyzability of traces at a cost similar to profiling. ScalAna first leverages static compiler techniques to build a Program Structure Graph, which records the main computation and communication patterns as well as the program's control structures. At runtime, we adopt lightweight techniques to collect performance data according to the graph structure and generate a Program Performance Graph. With this graph, we propose a novel approach, called backtracking root cause detection, which can automatically and efficiently detect the root cause of scaling loss. We evaluate ScalAna with real applications. Results show that our approach can effectively locate the root cause of scaling loss for real applications and incurs 1.73% overhead on average for up to 2,048 processes. We achieve up to 11.11% performance improvement by fixing the root causes detected by ScalAna on 2,048 processes.Comment: conferenc

Data-centric Performance Measurement and Mapping for Highly Parallel Programming Models

Modern supercomputers have complex features: many hardware threads, deep memory hierarchies, and many co-processors/accelerators. Productively and effectively designing programs to utilize those hardware features is crucial in gaining the best performance. There are several highly parallel programming models in active development that allow programmers to write efficient code on those architectures. Performance profiling is a very important technique in the development to achieve the best performance. In this dissertation, I proposed a new performance measurement and mapping technique that can associate performance data with program variables instead of code blocks. To validate the applicability of my data-centric profiling idea, I designed and implemented a profiler for PGAS and CUDA. For PGAS, I developed ChplBlamer, for both single-node and multi-node Chapel programs. My tool also provides new features such as data-centric inter-node load imbalance identification. For CUDA, I developed CUDABlamer for GPU-accelerated applications. CUDABlamer also attributes performance data to program variables, which is a feature that was not found in any previous CUDA profilers. Directed by the insights from the tools, I optimized several widely-studied benchmarks and significantly improved program performance by a factor of up to 4x for Chapel and 47x for CUDA kernels

On the Enhancement of Remote GPU Virtualization in High Performance Clusters

Graphics Processing Units (GPUs) are being adopted in many computing facilities given their extraordinary computing power, which makes it possible to accelerate many general purpose applications from different domains. However, GPUs also present several side effects, such as increased acquisition costs as well as larger space requirements. They also require more powerful energy supplies. Furthermore, GPUs still consume some amount of energy while idle and their utilization is usually low for most workloads. In a similar way to virtual machines, the use of virtual GPUs may address the aforementioned concerns. In this regard, the remote GPU virtualization mechanism allows an application being executed in a node of the cluster to transparently use the GPUs installed at other nodes. Moreover, this technique allows to share the GPUs present in the computing facility among the applications being executed in the cluster. In this way, several applications being executed in different (or the same) cluster nodes can share one or more GPUs located in other nodes of the cluster. Sharing GPUs should increase overall GPU utilization, thus reducing the negative impact of the side effects mentioned before. Reducing the total amount of GPUs installed in the cluster may also be possible. In this dissertation we enhance one framework offering remote GPU virtualization capabilities, referred to as rCUDA, for its use in high-performance clusters. While the initial prototype version of rCUDA demonstrated its functionality, it also revealed concerns with respect to usability, performance, and support for new GPU features, which prevented its used in production environments. These issues motivated this thesis, in which all the research is primarily conducted with the aim of turning rCUDA into a production-ready solution for eventually transferring it to industry. The new version of rCUDA resulting from this work presents a reduction of up to 35% in execution time of the applications analyzed with respect to the initial version. Compared to the use of local GPUs, the overhead of this new version of rCUDA is below 5% for the applications studied when using the latest high-performance computing networks available.Las unidades de procesamiento gráfico (Graphics Processing Units, GPUs) están siendo utilizadas en muchas instalaciones de computación dada su extraordinaria capacidad de cálculo, la cual hace posible acelerar muchas aplicaciones de propósito general de diferentes dominios. Sin embargo, las GPUs también presentan algunas desventajas, como el aumento de los costos de adquisición, así como mayores requerimientos de espacio. Asimismo, también requieren un suministro de energía más potente. Además, las GPUs consumen una cierta cantidad de energía aún estando inactivas, y su utilización suele ser baja para la mayoría de las cargas de trabajo. De manera similar a las máquinas virtuales, el uso de GPUs virtuales podría hacer frente a los inconvenientes mencionados. En este sentido, el mecanismo de virtualización remota de GPUs permite que una aplicación que se ejecuta en un nodo de un clúster utilice de forma transparente las GPUs instaladas en otros nodos de dicho clúster. Además, esta técnica permite compartir las GPUs presentes en el clúster entre las aplicaciones que se ejecutan en el mismo. De esta manera, varias aplicaciones que se ejecutan en diferentes nodos de clúster (o los mismos) pueden compartir una o más GPUs ubicadas en otros nodos del clúster. Compartir GPUs aumenta la utilización general de la GPU, reduciendo así el impacto negativo de las desventajas anteriormente mencionadas. De igual forma, este mecanismo también permite reducir la cantidad total de GPUs instaladas en el clúster. En esta tesis mejoramos un entorno de trabajo llamado rCUDA, el cual ofrece funcionalidades de virtualización remota de GPUs para su uso en clusters de altas prestaciones. Si bien la versión inicial del prototipo de rCUDA demostró su funcionalidad, también reveló dificultades con respecto a la usabilidad, el rendimiento y el soporte para nuevas características de las GPUs, lo cual impedía su uso en entornos de producción. Estas consideraciones motivaron la presente tesis, en la que toda la investigación llevada a cabo tiene como objetivo principal convertir rCUDA en una solución lista para su uso entornos de producción, con la finalidad de transferirla eventualmente a la industria. La nueva versión de rCUDA resultante de este trabajo presenta una reducción de hasta el 35% en el tiempo de ejecución de las aplicaciones analizadas con respecto a la versión inicial. En comparación con el uso de GPUs locales, la sobrecarga de esta nueva versión de rCUDA es inferior al 5% para las aplicaciones estudiadas cuando se utilizan las últimas redes de computación de altas prestaciones disponibles.Les unitats de processament gràfic (Graphics Processing Units, GPUs) estan sent utilitzades en moltes instal·lacions de computació donada la seva extraordinària capacitat de càlcul, la qual fa possible accelerar moltes aplicacions de propòsit general de diferents dominis. No obstant això, les GPUs també presenten alguns desavantatges, com l'augment dels costos d'adquisició, així com major requeriment d'espai. Així mateix, també requereixen un subministrament d'energia més potent. A més, les GPUs consumeixen una certa quantitat d'energia encara estant inactives, i la seua utilització sol ser baixa per a la majoria de les càrregues de treball. D'una manera semblant a les màquines virtuals, l'ús de GPUs virtuals podria fer front als inconvenients esmentats. En aquest sentit, el mecanisme de virtualització remota de GPUs permet que una aplicació que s'executa en un node d'un clúster utilitze de forma transparent les GPUs instal·lades en altres nodes d'aquest clúster. A més, aquesta tècnica permet compartir les GPUs presents al clúster entre les aplicacions que s'executen en el mateix. D'aquesta manera, diverses aplicacions que s'executen en diferents nodes de clúster (o els mateixos) poden compartir una o més GPUs ubicades en altres nodes del clúster. Compartir GPUs augmenta la utilització general de la GPU, reduint així l'impacte negatiu dels desavantatges anteriorment esmentades. A més a més, aquest mecanisme també permet reduir la quantitat total de GPUs instal·lades al clúster. En aquesta tesi millorem un entorn de treball anomenat rCUDA, el qual ofereix funcionalitats de virtualització remota de GPUs per al seu ús en clústers d'altes prestacions. Si bé la versió inicial del prototip de rCUDA va demostrar la seua funcionalitat, també va revelar dificultats pel que fa a la usabilitat, el rendiment i el suport per a noves característiques de les GPUs, la qual cosa impedia el seu ús en entorns de producció. Aquestes consideracions van motivar la present tesi, en què tota la investigació duta a terme té com a objectiu principal convertir rCUDA en una solució preparada per al seu ús entorns de producció, amb la finalitat de transferir-la eventualment a la indústria. La nova versió de rCUDA resultant d'aquest treball presenta una reducció de fins al 35% en el temps d'execució de les aplicacions analitzades respecte a la versió inicial. En comparació amb l'ús de GPUs locals, la sobrecàrrega d'aquesta nova versió de rCUDA és inferior al 5% per a les aplicacions estudiades quan s'utilitzen les últimes xarxes de computació d'altes prestacions disponibles.Reaño González, C. (2017). On the Enhancement of Remote GPU Virtualization in High Performance Clusters [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/86219TESISPremios Extraordinarios de tesis doctorale

DINOMO: An Elastic, Scalable, High-Performance Key-Value Store for Disaggregated Persistent Memory (Extended Version)

We present Dinomo, a novel key-value store for disaggregated persistent memory (DPM). Dinomo is the first key-value store for DPM that simultaneously achieves high common-case performance, scalability, and lightweight online reconfiguration. We observe that previously proposed key-value stores for DPM had architectural limitations that prevent them from achieving all three goals simultaneously. Dinomo uses a novel combination of techniques such as ownership partitioning, disaggregated adaptive caching, selective replication, and lock-free and log-free indexing to achieve these goals. Compared to a state-of-the-art DPM key-value store, Dinomo achieves at least 3.8x better throughput on various workloads at scale and higher scalability, while providing fast reconfiguration.Comment: This is an extended version of the full paper to appear in PVLDB 15.13 (VLDB 2023

Fast and generic concurrent message-passing

Communication hardware and software have a significant impact on the performance of clusters and supercomputers. Message passing model and the Message-Passing Interface (MPI) is a widely used model of communications in the High-Performance Computing (HPC) community with great success. However, it has recently faced new challenges due to the emergence of many-core architecture and of programming models with dynamic task parallelism, assuming a large number of concurrent, light-weight threads. These applications come from important classes of applications such as graph and data analytics. Using MPI with these languages/runtimes is inefficient because MPI implementation is not able to perform well with threads. Using MPI as a communication middleware is also not efficient since MPI has to provide many abstractions that are not needed for many of the frameworks, thus having extra overheads. In this thesis, we studied MPI performance under the new assumptions. We identified several factors in the message-passing model which were inherently problematic for scalability and performance. Next, we analyzed the communication of a number of graph, threading and data-flow frameworks to identify generic patterns. We then proposed a low-level communication interface (LCI) to bridge the gap between communication architecture and runtime. The core of our idea is to attach to each message a few simple operations which fit better with the current hardware and can be implemented efficiently. We show that with only a few carefully chosen primitives and appropriate design, message-passing under this interface can easily outperform production MPI when running atop of multi-threaded environment. Further, using LCI is simple for various types of usage