Deploying a Top-100 Supercomputer for Large Parallel Workloads: the Niagara Supercomputer

Niagara is currently the fastest supercomputer accessible to academics in Canada. It was deployed at the beginning of 2018 and has been serving the research community ever since. This homogeneous 60,000-core cluster, owned by the University of Toronto and operated by SciNet, was intended to enable large parallel jobs and has a measured performance of 3.02 petaflops, debuting at #53 in the June 2018 TOP500 list. It was designed to optimize throughput of a range of scientific codes running at scale, energy efficiency, and network and storage performance and capacity. It replaced two systems that SciNet operated for over 8 years, the Tightly Coupled System (TCS) and the General Purpose Cluster (GPC). In this paper we describe the transition process from these two systems, the procurement and deployment processes, as well as the unique features that make Niagara a one-of-a-kind machine in Canada.Comment: PEARC'19: "Practice and Experience in Advanced Research Computing", July 28-August 1, 2019, Chicago, IL, US

Heterogeneity-aware scheduling and data partitioning for system performance acceleration

Over the past decade, heterogeneous processors and accelerators have become increasingly prevalent in modern computing systems. Compared with previous homogeneous parallel machines, the hardware heterogeneity in modern systems provides new opportunities and challenges for performance acceleration. Classic operating systems optimisation problems such as task scheduling, and application-specific optimisation techniques such as the adaptive data partitioning of parallel algorithms, are both required to work together to address hardware heterogeneity. Significant effort has been invested in this problem, but either focuses on a specific type of heterogeneous systems or algorithm, or a high-level framework without insight into the difference in heterogeneity between different types of system. A general software framework is required, which can not only be adapted to multiple types of systems and workloads, but is also equipped with the techniques to address a variety of hardware heterogeneity. This thesis presents approaches to design general heterogeneity-aware software frameworks for system performance acceleration. It covers a wide variety of systems, including an OS scheduler targeting on-chip asymmetric multi-core processors (AMPs) on mobile devices, a hierarchical many-core supercomputer and multi-FPGA systems for high performance computing (HPC) centers. Considering heterogeneity from on-chip AMPs, such as thread criticality, core sensitivity, and relative fairness, it suggests a collaborative based approach to co-design the task selector and core allocator on OS scheduler. Considering the typical sources of heterogeneity in HPC systems, such as the memory hierarchy, bandwidth limitations and asymmetric physical connection, it proposes an application-specific automatic data partitioning method for a modern supercomputer, and a topological-ranking heuristic based schedule for a multi-FPGA based reconfigurable cluster. Experiments on both a full system simulator (GEM5) and real systems (Sunway Taihulight Supercomputer and Xilinx Multi-FPGA based clusters) demonstrate the significant advantages of the suggested approaches compared against the state-of-the-art on variety of workloads."This work is supported by St Leonards 7th Century Scholarship and Computer Science PhD funding from University of St Andrews; by UK EPSRC grant Discovery: Pattern Discovery and Program Shaping for Manycore Systems (EP/P020631/1)." -- Acknowledgement

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

Myths and Legends in High-Performance Computing

In this thought-provoking article, we discuss certain myths and legends that are folklore among members of the high-performance computing community. We gathered these myths from conversations at conferences and meetings, product advertisements, papers, and other communications such as tweets, blogs, and news articles within and beyond our community. We believe they represent the zeitgeist of the current era of massive change, driven by the end of many scaling laws such as Dennard scaling and Moore's law. While some laws end, new directions are emerging, such as algorithmic scaling or novel architecture research. Nevertheless, these myths are rarely based on scientific facts, but rather on some evidence or argumentation. In fact, we believe that this is the very reason for the existence of many myths and why they cannot be answered clearly. While it feels like there should be clear answers for each, some may remain endless philosophical debates, such as whether Beethoven was better than Mozart. We would like to see our collection of myths as a discussion of possible new directions for research and industry investment

Towards resource-aware computing for task-based runtimes and parallel architectures

Current large scale systems show increasing power demands, to the point that it has become a huge strain on facilities and budgets. The increasing restrictions in terms of power consumption of High Performance Computing (HPC) systems and data centers have forced hardware vendors to include power capping capabilities in their commodity processors. Power capping opens up new opportunities for applications to directly manage their power behavior at user level. However, constraining power consumption causes the individual sockets of a parallel system to deliver different performance levels under the same power cap, even when they are equally designed, which is an effect caused by manufacturing variability. Modern chips suffer from heterogeneous power consumption due to manufacturing issues, a problem known as manufacturing or process variability. As a result, systems that do not consider such variability caused by manufacturing issues lead to performance degradations and wasted power. In order to avoid such negative impact, users and system administrators must actively counteract any manufacturing variability. In this thesis we show that parallel systems benefit from taking into account the consequences of manufacturing variability, in terms of both performance and energy efficiency. In order to evaluate our work we have also implemented our own task-based version of the PARSEC benchmark suite. This allows to test our methodology using state-of-the-art parallelization techniques and real world workloads. We present two approaches to mitigate manufacturing variability, by power redistribution at runtime level and by power- and variability-aware job scheduling at system-wide level. A parallel runtime system can be used to effectively deal with this new kind of performance heterogeneity by compensating the uneven effects of power capping. In the context of a NUMA node composed of several multi core sockets, our system is able to optimize the energy and concurrency levels assigned to each socket to maximize performance. Applied transparently within the parallel runtime system, it does not require any programmer interaction like changing the application source code or manually reconfiguring the parallel system. We compare our novel runtime analysis with an offline approach and demonstrate that it can achieve equal performance at a fraction of the cost. The next approach presented in this theis, we show that it is possible to predict the impact of this variability on specific applications by using variability-aware power prediction models. Based on these power models, we propose two job scheduling policies that consider the effects of manufacturing variability for each application and that ensures that power consumption stays under a system wide power budget. We evaluate our policies under different power budgets and traffic scenarios, consisting of both single- and multi-node parallel applications.Los sistemas modernos de gran escala muestran crecientes demandas de energía, hasta el punto de que se ha convertido en una gran presión para las instalaciones y los presupuestos. Las restricciones crecientes de consumo de energía de los sistemas de alto rendimiento (HPC) y los centros de datos han obligado a los proveedores de hardware a incluir capacidades de limitación de energía en sus procesadores. La limitación de energía abre nuevas oportunidades para que las aplicaciones administren directamente su comportamiento de energía a nivel de usuario. Sin embargo, la restricción en el consumo de energía de sockets individuales de un sistema paralelo resulta en diferentes niveles de rendimiento, por el mismo límite de potencia, incluso cuando están diseñados por igual. Esto es un efecto causado durante el proceso de la fabricación. Los chips modernos sufren de un consumo de energía heterogéneo debido a problemas de fabricación, un problema conocido como variabilidad del proceso o fabricación. Como resultado, los sistemas que no consideran este tipo de variabilidad causada por problemas de fabricación conducen a degradaciones del rendimiento y desperdicio de energía. Para evitar dicho impacto negativo, los usuarios y administradores del sistema deben contrarrestar activamente cualquier variabilidad de fabricación. En esta tesis, demostramos que los sistemas paralelos se benefician de tener en cuenta las consecuencias de la variabilidad de la fabricación, tanto en términos de rendimiento como de eficiencia energética. Para evaluar nuestro trabajo, también hemos implementado nuestra propia versión del paquete de aplicaciones de prueba PARSEC, basada en tareas paralelos. Esto permite probar nuestra metodología utilizando técnicas avanzadas de paralelización con cargas de trabajo del mundo real. Presentamos dos enfoques para mitigar la variabilidad de fabricación, mediante la redistribución de la energía a durante la ejecución de las aplicaciones y mediante la programación de trabajos a nivel de todo el sistema. Se puede utilizar un sistema runtime paralelo para tratar con eficacia este nuevo tipo de heterogeneidad de rendimiento, compensando los efectos desiguales de la limitación de potencia. En el contexto de un nodo NUMA compuesto de varios sockets y núcleos, nuestro sistema puede optimizar los niveles de energía y concurrencia asignados a cada socket para maximizar el rendimiento. Aplicado de manera transparente dentro del sistema runtime paralelo, no requiere ninguna interacción del programador como cambiar el código fuente de la aplicación o reconfigurar manualmente el sistema paralelo. Comparamos nuestro novedoso análisis de runtime con los resultados óptimos, obtenidos de una análisis manual exhaustiva, y demostramos que puede lograr el mismo rendimiento a una fracción del costo. El siguiente enfoque presentado en esta tesis, muestra que es posible predecir el impacto de la variabilidad de fabricación en aplicaciones específicas mediante el uso de modelos de predicción de potencia conscientes de la variabilidad. Basados ​​en estos modelos de predicción de energía, proponemos dos políticas de programación de trabajos que consideran los efectos de la variabilidad de fabricación para cada aplicación y que aseguran que el consumo se mantiene bajo un presupuesto de energía de todo el sistema. Evaluamos nuestras políticas con diferentes presupuestos de energía y escenarios de tráfico, que consisten en aplicaciones paralelas que corren en uno o varios nodos.Postprint (published version

Towards resource-aware computing for task-based runtimes and parallel architectures

Current large scale systems show increasing power demands, to the point that it has become a huge strain on facilities and budgets. The increasing restrictions in terms of power consumption of High Performance Computing (HPC) systems and data centers have forced hardware vendors to include power capping capabilities in their commodity processors. Power capping opens up new opportunities for applications to directly manage their power behavior at user level. However, constraining power consumption causes the individual sockets of a parallel system to deliver different performance levels under the same power cap, even when they are equally designed, which is an effect caused by manufacturing variability. Modern chips suffer from heterogeneous power consumption due to manufacturing issues, a problem known as manufacturing or process variability. As a result, systems that do not consider such variability caused by manufacturing issues lead to performance degradations and wasted power. In order to avoid such negative impact, users and system administrators must actively counteract any manufacturing variability. In this thesis we show that parallel systems benefit from taking into account the consequences of manufacturing variability, in terms of both performance and energy efficiency. In order to evaluate our work we have also implemented our own task-based version of the PARSEC benchmark suite. This allows to test our methodology using state-of-the-art parallelization techniques and real world workloads. We present two approaches to mitigate manufacturing variability, by power redistribution at runtime level and by power- and variability-aware job scheduling at system-wide level. A parallel runtime system can be used to effectively deal with this new kind of performance heterogeneity by compensating the uneven effects of power capping. In the context of a NUMA node composed of several multi core sockets, our system is able to optimize the energy and concurrency levels assigned to each socket to maximize performance. Applied transparently within the parallel runtime system, it does not require any programmer interaction like changing the application source code or manually reconfiguring the parallel system. We compare our novel runtime analysis with an offline approach and demonstrate that it can achieve equal performance at a fraction of the cost. The next approach presented in this theis, we show that it is possible to predict the impact of this variability on specific applications by using variability-aware power prediction models. Based on these power models, we propose two job scheduling policies that consider the effects of manufacturing variability for each application and that ensures that power consumption stays under a system wide power budget. We evaluate our policies under different power budgets and traffic scenarios, consisting of both single- and multi-node parallel applications.Los sistemas modernos de gran escala muestran crecientes demandas de energía, hasta el punto de que se ha convertido en una gran presión para las instalaciones y los presupuestos. Las restricciones crecientes de consumo de energía de los sistemas de alto rendimiento (HPC) y los centros de datos han obligado a los proveedores de hardware a incluir capacidades de limitación de energía en sus procesadores. La limitación de energía abre nuevas oportunidades para que las aplicaciones administren directamente su comportamiento de energía a nivel de usuario. Sin embargo, la restricción en el consumo de energía de sockets individuales de un sistema paralelo resulta en diferentes niveles de rendimiento, por el mismo límite de potencia, incluso cuando están diseñados por igual. Esto es un efecto causado durante el proceso de la fabricación. Los chips modernos sufren de un consumo de energía heterogéneo debido a problemas de fabricación, un problema conocido como variabilidad del proceso o fabricación. Como resultado, los sistemas que no consideran este tipo de variabilidad causada por problemas de fabricación conducen a degradaciones del rendimiento y desperdicio de energía. Para evitar dicho impacto negativo, los usuarios y administradores del sistema deben contrarrestar activamente cualquier variabilidad de fabricación. En esta tesis, demostramos que los sistemas paralelos se benefician de tener en cuenta las consecuencias de la variabilidad de la fabricación, tanto en términos de rendimiento como de eficiencia energética. Para evaluar nuestro trabajo, también hemos implementado nuestra propia versión del paquete de aplicaciones de prueba PARSEC, basada en tareas paralelos. Esto permite probar nuestra metodología utilizando técnicas avanzadas de paralelización con cargas de trabajo del mundo real. Presentamos dos enfoques para mitigar la variabilidad de fabricación, mediante la redistribución de la energía a durante la ejecución de las aplicaciones y mediante la programación de trabajos a nivel de todo el sistema. Se puede utilizar un sistema runtime paralelo para tratar con eficacia este nuevo tipo de heterogeneidad de rendimiento, compensando los efectos desiguales de la limitación de potencia. En el contexto de un nodo NUMA compuesto de varios sockets y núcleos, nuestro sistema puede optimizar los niveles de energía y concurrencia asignados a cada socket para maximizar el rendimiento. Aplicado de manera transparente dentro del sistema runtime paralelo, no requiere ninguna interacción del programador como cambiar el código fuente de la aplicación o reconfigurar manualmente el sistema paralelo. Comparamos nuestro novedoso análisis de runtime con los resultados óptimos, obtenidos de una análisis manual exhaustiva, y demostramos que puede lograr el mismo rendimiento a una fracción del costo. El siguiente enfoque presentado en esta tesis, muestra que es posible predecir el impacto de la variabilidad de fabricación en aplicaciones específicas mediante el uso de modelos de predicción de potencia conscientes de la variabilidad. Basados ​​en estos modelos de predicción de energía, proponemos dos políticas de programación de trabajos que consideran los efectos de la variabilidad de fabricación para cada aplicación y que aseguran que el consumo se mantiene bajo un presupuesto de energía de todo el sistema. Evaluamos nuestras políticas con diferentes presupuestos de energía y escenarios de tráfico, que consisten en aplicaciones paralelas que corren en uno o varios nodos

From Facility to Application Sensor Data: Modular, Continuous and Holistic Monitoring with DCDB

Today's HPC installations are highly-complex systems, and their complexity will only increase as we move to exascale and beyond. At each layer, from facilities to systems, from runtimes to applications, a wide range of tuning decisions must be made in order to achieve efficient operation. This, however, requires systematic and continuous monitoring of system and user data. While many insular solutions exist, a system for holistic and facility-wide monitoring is still lacking in the current HPC ecosystem. In this paper we introduce DCDB, a comprehensive monitoring system capable of integrating data from all system levels. It is designed as a modular and highly-scalable framework based on a plugin infrastructure. All monitored data is aggregated at a distributed noSQL data store for analysis and cross-system correlation. We demonstrate the performance and scalability of DCDB, and describe two use cases in the area of energy management and characterization.Comment: Accepted at the The International Conference for High Performance Computing, Networking, Storage, and Analysis (SC) 201

Land-atmosphere interactions in multiscale regional climate change simulations over Europe

Interactions between the heterogenous land surface and the atmosphere play a fundamental role in the weather and climate system through their influence on the energy and water cycles. Global climate models (GCMs) currently have coarse horizontal grid resolutions in the order of 100 km. With their higher resolution regional climate models (RCMs) better resolve mesoscale processes in the atmosphere and better represent the heterogenous land surface properties. Thus, RCMs are able to provide more detailed characteristics of regional to local climate. This thesis conducts regional climate simulations in multiple resolutions for the European domain of the Coordinated Regional Climate Downscaling Experiment (EURO-CORDEX) and a central European domain (3kmME) with the RCM WRF downscaling both ERA-Interim reanalysis and GCM MPI-ESM-LR (RCP4.5) climate change scenario data. The analysis focusses on land-atmosphere interactions to gain a better understanding of the regional water cycle components, the involved multi-scale processes, their sensitivities and variabilities both under present-day climate and future climate change conditions. Furthermore, the added value of the convection-permitting 3kmME simulations, being one of the first sets of decade-long convection-permitting regional climate simulations over Central Europe, is investigated. A comparison of summertime land-atmosphere coupling strength is carried out for a subset of the ERA-Interim-driven EURO-CORDEX model ensemble (1989 to 2008). The coupling strength is quantified by the correlation between the surface sensible and the latent heat flux, and by the correlation between the latent heat flux and 2m temperature and compared to European FLUXNET observations and gridded observational Global Land Evaporation Amsterdam Model (GLEAM) data, respectively. The RCM simulations agree with both observational datasets in the large-scale pattern characterized by strong coupling in southern Europe and weak coupling in northern Europe. However, in the transition zone from strong to weak coupling covering large parts of central Europe the majority of the RCMs tend to overestimate the coupling strength in comparison to both observations. The RCM ensemble spread is caused by the different land surface models applied, and by the model-specific weather conditions resulting from different atmospheric parameterizations. Investigation of land-atmosphere coupling strength in ERA-Interim driven WRF simulations in both 3 km and 12 km resolution for central Europe reveals large year-to-year variability related to the individual soil moisture conditions. Coupling strength largely differs for individual land use types. Forest compared to crop type reacts slower to drought conditions. Coupling is overall slightly stronger in the 3 km simulation, attributed to overall drier soils due to less precipitation. The projected climate change based on a WRF 0.44° simulation downscaling GCM MPI-ESM-LR (RCP4.5) data alters the European land-atmosphere coupling regimes in summer. Due to increasingly drier soils, stronger coupling is simulated for large parts of western, central and southern eastern Europe for the period 2071-2100 compared to 1971-2000. Areas of strongest future increase of extreme temperature coincide with strong coupling areas. In order to analyse the added value of convection-permitting 3 km climate simulations, nine years of ERA-Interim driven simulations with the WRF RCM at 12 km and 3 km grid resolution over central Europe are evaluated against observations with a focus on sub-daily precipitation statistics and the relation between extreme precipitation and air temperature. A clear added value of the higher resolution simulation is found especially in the reproduction of the diurnal cycle and the hourly intensity distribution of precipitation. Too much light precipitation in the 12 km simulation results in a positive precipitation bias. Largest differences between both resolutions occur in mountainous regions and during the summer months with high convective activity. Moreover, the observed increase of the temperature–extreme precipitation scaling from the Clausius-Clapeyron (C-C) scaling rate of ~7% K-1 to a super-adiabatic scaling rate is reproduced only by the 3 km simulation. The effect of land surface heterogeneity on the differences between 3 km and 12 km simulations is analysed based on five WRF simulations for JJA 2003, each with the same atmospheric setup in 3 km resolution but different combinations of 12 km resolution land use and soil type, initial soil moisture and orography. A coarser resolved orography significantly alters the flow over and around extensive mountain ridges like the Alps and impact the large-scale flow pattern. The smoothed mountain ridges result in weaker Föhn effects and in enhanced locally generated convective precipitation pattern peaking earlier in the afternoon. The effect of a coarser-resolved land use distribution is overall smaller and mainly related to changes in overall percentages of different land use types, rather than to the loss of heterogeneity in the surface pattern on the scale analysed here. Even small changes in soil moisture have a higher potential to affect the overall simulation results. WRF climate simulations downscaling the MPI-ESM-LR data at 12 km and 3 km resolution for central Europe are analysed for three 12-year periods: a control, a mid-of-century and an end-of-century projection to quantify future changes in precipitation statistics based on both convection-permitting and convection-parameterized simulations. For both future scenarios both simulations suggest a slight decrease in mean summer precipitation and an increase in hourly heavy and extreme precipitation in large parts of central Europe. This increase is stronger in the 3 km runs. Temperature–extreme precipitation scaling curves in the future climate are projected to shift along the 7% K-1 trajectory to higher peak extreme precipitation values at higher temperatures while keeping their typical shape. The results of this thesis clearly confirm the added value of convection-permitting climate simulations, provide further insights into land-atmosphere interaction processes and highlight the relevance of the RCMs ability to properly simulate coupling strength