PaPaS: A Portable, Lightweight, and Generic Framework for Parallel Parameter Studies

The current landscape of scientific research is widely based on modeling and simulation, typically with complexity in the simulation's flow of execution and parameterization properties. Execution flows are not necessarily straightforward since they may need multiple processing tasks and iterations. Furthermore, parameter and performance studies are common approaches used to characterize a simulation, often requiring traversal of a large parameter space. High-performance computers offer practical resources at the expense of users handling the setup, submission, and management of jobs. This work presents the design of PaPaS, a portable, lightweight, and generic workflow framework for conducting parallel parameter and performance studies. Workflows are defined using parameter files based on keyword-value pairs syntax, thus removing from the user the overhead of creating complex scripts to manage the workflow. A parameter set consists of any combination of environment variables, files, partial file contents, and command line arguments. PaPaS is being developed in Python 3 with support for distributed parallelization using SSH, batch systems, and C++ MPI. The PaPaS framework will run as user processes, and can be used in single/multi-node and multi-tenant computing systems. An example simulation using the BehaviorSpace tool from NetLogo and a matrix multiply using OpenMP are presented as parameter and performance studies, respectively. The results demonstrate that the PaPaS framework offers a simple method for defining and managing parameter studies, while increasing resource utilization.Comment: 8 pages, 6 figures, PEARC '18: Practice and Experience in Advanced Research Computing, July 22--26, 2018, Pittsburgh, PA, US

Architectures and GPU-Based Parallelization for Online Bayesian Computational Statistics and Dynamic Modeling

Recent work demonstrates that coupling Bayesian computational statistics methods with dynamic models can facilitate the analysis of complex systems associated with diverse time series, including those involving social and behavioural dynamics. Particle Markov Chain Monte Carlo (PMCMC) methods constitute a particularly powerful class of Bayesian methods combining aspects of batch Markov Chain Monte Carlo (MCMC) and the sequential Monte Carlo method of Particle Filtering (PF). PMCMC can flexibly combine theory-capturing dynamic models with diverse empirical data. Online machine learning is a subcategory of machine learning algorithms characterized by sequential, incremental execution as new data arrives, which can give updated results and predictions with growing sequences of available incoming data. While many machine learning and statistical methods are adapted to online algorithms, PMCMC is one example of the many methods whose compatibility with and adaption to online learning remains unclear. In this thesis, I proposed a data-streaming solution supporting PF and PMCMC methods with dynamic epidemiological models and demonstrated several successful applications. By constructing an automated, easy-to-use streaming system, analytic applications and simulation models gain access to arriving real-time data to shorten the time gap between data and resulting model-supported insight. The well-defined architecture design emerging from the thesis would substantially expand traditional simulation models' potential by allowing such models to be offered as continually updated services. Contingent on sufficiently fast execution time, simulation models within this framework can consume the incoming empirical data in real-time and generate informative predictions on an ongoing basis as new data points arrive. In a second line of work, I investigated the platform's flexibility and capability by extending this system to support the use of a powerful class of PMCMC algorithms with dynamic models while ameliorating such algorithms' traditionally stiff performance limitations. Specifically, this work designed and implemented a GPU-enabled parallel version of a PMCMC method with dynamic simulation models. The resulting codebase readily has enabled researchers to adapt their models to the state-of-art statistical inference methods, and ensure that the computation-heavy PMCMC method can perform significant sampling between the successive arrival of each new data point. Investigating this method's impact with several realistic PMCMC application examples showed that GPU-based acceleration allows for up to 160x speedup compared to a corresponding CPU-based version not exploiting parallelism. The GPU accelerated PMCMC and the streaming processing system can complement each other, jointly providing researchers with a powerful toolset to greatly accelerate learning and securing additional insight from the high-velocity data increasingly prevalent within social and behavioural spheres. The design philosophy applied supported a platform with broad generalizability and potential for ready future extensions. The thesis discusses common barriers and difficulties in designing and implementing such systems and offers solutions to solve or mitigate them

Parallel Rendering and Large Data Visualization

We are living in the big data age: An ever increasing amount of data is being produced through data acquisition and computer simulations. While large scale analysis and simulations have received significant attention for cloud and high-performance computing, software to efficiently visualise large data sets is struggling to keep up. Visualization has proven to be an efficient tool for understanding data, in particular visual analysis is a powerful tool to gain intuitive insight into the spatial structure and relations of 3D data sets. Large-scale visualization setups are becoming ever more affordable, and high-resolution tiled display walls are in reach even for small institutions. Virtual reality has arrived in the consumer space, making it accessible to a large audience. This thesis addresses these developments by advancing the field of parallel rendering. We formalise the design of system software for large data visualization through parallel rendering, provide a reference implementation of a parallel rendering framework, introduce novel algorithms to accelerate the rendering of large amounts of data, and validate this research and development with new applications for large data visualization. Applications built using our framework enable domain scientists and large data engineers to better extract meaning from their data, making it feasible to explore more data and enabling the use of high-fidelity visualization installations to see more detail of the data.Comment: PhD thesi

Trace-based Performance Analysis for Hardware Accelerators

This thesis presents how performance data from hardware accelerators can be included in event logs. It extends the capabilities of trace-based performance analysis to also monitor and record data from this novel parallelization layer. The increasing awareness to power consumption of computing devices has led to an interest in hybrid computing architectures as well. High-end computers, workstations, and mobile devices start to employ hardware accelerators to offload computationally intense and parallel tasks, while at the same time retaining a highly efficient scalar compute unit for non-parallel tasks. This execution pattern is typically asynchronous so that the scalar unit can resume other work while the hardware accelerator is busy. Performance analysis tools provided by the hardware accelerator vendors cover the situation of one host using one device very well. Yet, they do not address the needs of the high performance computing community. This thesis investigates ways to extend existing methods for recording events from highly parallel applications to also cover scenarios in which hardware accelerators aid these applications. After introducing a generic approach that is suitable for any API based acceleration paradigm, the thesis derives a suggestion for a generic performance API for hardware accelerators and its implementation with NVIDIA CUPTI. In a next step the visualization of event logs containing data from execution streams on different levels of parallelism is discussed. In order to overcome the limitations of classic performance profiles and timeline displays, a graph-based visualization using Parallel Performance Flow Graphs (PPFGs) is introduced. This novel technical approach is using program states in order to display similarities and differences between the potentially very large number of event streams and, thus, enables a fast way to spot load imbalances. The thesis concludes with the in-depth analysis of a case-study of PIConGPU---a highly parallel, multi-hybrid plasma physics simulation---that benefited greatly from the developed performance analysis methods.Diese Dissertation zeigt, wie der Ablauf von Anwendungsteilen, die auf Hardwarebeschleuniger ausgelagert wurden, als Programmspur mit aufgezeichnet werden kann. Damit wird die bekannte Technik der Leistungsanalyse von Anwendungen mittels Programmspuren so erweitert, dass auch diese neue Parallelitätsebene mit erfasst wird. Die Beschränkungen von Computersystemen bezüglich der elektrischen Leistungsaufnahme hat zu einer steigenden Anzahl von hybriden Computerarchitekturen geführt. Sowohl Hochleistungsrechner, aber auch Arbeitsplatzcomputer und mobile Endgeräte nutzen heute Hardwarebeschleuniger um rechenintensive, parallele Programmteile auszulagern und so den skalaren Hauptprozessor zu entlasten und nur für nicht parallele Programmteile zu verwenden. Dieses Ausführungsschema ist typischerweise asynchron: der Skalarprozessor kann, während der Hardwarebeschleuniger rechnet, selbst weiterarbeiten. Die Leistungsanalyse-Werkzeuge der Hersteller von Hardwarebeschleunigern decken den Standardfall (ein Host-System mit einem Hardwarebeschleuniger) sehr gut ab, scheitern aber an einer Unterstützung von hochparallelen Rechnersystemen. Die vorliegende Dissertation untersucht, in wie weit auch multi-hybride Anwendungen die Aktivität von Hardwarebeschleunigern aufzeichnen können. Dazu wird die vorhandene Methode zur Erzeugung von Programmspuren für hochparallele Anwendungen entsprechend erweitert. In dieser Untersuchung wird zuerst eine allgemeine Methodik entwickelt, mit der sich für jede API-gestützte Hardwarebeschleunigung eine Programmspur erstellen lässt. Darauf aufbauend wird eine eigene Programmierschnittstelle entwickelt, die es ermöglicht weitere leistungsrelevante Daten aufzuzeichnen. Die Umsetzung dieser Schnittstelle wird am Beispiel von NVIDIA CUPTI darstellt. Ein weiterer Teil der Arbeit beschäftigt sich mit der Darstellung von Programmspuren, welche Aufzeichnungen von den unterschiedlichen Parallelitätsebenen enthalten. Um die Einschränkungen klassischer Leistungsprofile oder Zeitachsendarstellungen zu überwinden, wird mit den parallelen Programmablaufgraphen (PPFGs) eine neue graphenbasisierte Darstellungsform eingeführt. Dieser neuartige Ansatz zeigt eine Programmspur als eine Folge von Programmzuständen mit gemeinsamen und unterchiedlichen Abläufen. So können divergierendes Programmverhalten und Lastimbalancen deutlich einfacher lokalisiert werden. Die Arbeit schließt mit der detaillierten Analyse von PIConGPU -- einer multi-hybriden Simulation aus der Plasmaphysik --, die in großem Maße von den in dieser Arbeit entwickelten Analysemöglichkeiten profiert hat

Crowd simulation and visualization

Large-scale simulation and visualization are essential topics in areas as different as sociology, physics, urbanism, training, entertainment among others. This kind of systems requires a vast computational power and memory resources commonly available in High Performance Computing HPC platforms. Currently, the most potent clusters have heterogeneous architectures with hundreds of thousands and even millions of cores. The industry trends inferred that exascale clusters would have thousands of millions. The technical challenges for simulation and visualization process in the exascale era are intertwined with difficulties in other areas of research, including storage, communication, programming models and hardware. For this reason, it is necessary prototyping, testing, and deployment a variety of approaches to address the technical challenges identified and evaluate the advantages and disadvantages of each proposed solution. The focus of this research is interactive large-scale crowd simulation and visualization. To exploit to the maximum the capacity of the current HPC infrastructure and be prepared to take advantage of the next generation. The project develops a new approach to scale crowd simulation and visualization on heterogeneous computing cluster using a task-based technique. Its main characteristic is hardware agnostic. It abstracts the difficulties that imply the use of heterogeneous architectures like memory management, scheduling, communications, and synchronization — facilitating development, maintenance, and scalability. With the goal of flexibility and take advantage of computing resources as best as possible, the project explores different configurations to connect the simulation with the visualization engine. This kind of system has an essential use in emergencies. Therefore, urban scenes were implemented as realistic as possible; in this way, users will be ready to face real events. Path planning for large-scale crowds is a challenge to solve, due to the inherent dynamism in the scenes and vast search space. A new path-finding algorithm was developed. It has a hierarchical approach which offers different advantages: it divides the search space reducing the problem complexity, it can obtain a partial path instead of wait for the complete one, which allows a character to start moving and compute the rest asynchronously. It can reprocess only a part if necessary with different levels of abstraction. A case study is presented for a crowd simulation in urban scenarios. Geolocated data are used, they were produced by mobile devices to predict individual and crowd behavior and detect abnormal situations in the presence of specific events. It was also address the challenge of combining all these individual’s location with a 3D rendering of the urban environment. The data processing and simulation approach are computationally expensive and time-critical, it relies thus on a hybrid Cloud-HPC architecture to produce an efficient solution. Within the project, new models of behavior based on data analytics were developed. It was developed the infrastructure to be able to consult various data sources such as social networks, government agencies or transport companies such as Uber. Every time there is more geolocation data available and better computation resources which allow performing analysis of greater depth, this lays the foundations to improve the simulation models of current crowds. The use of simulations and their visualization allows to observe and organize the crowds in real time. The analysis before, during and after daily mass events can reduce the risks and associated logistics costs.La simulación y visualización a gran escala son temas esenciales en áreas tan diferentes como la sociología, la física, el urbanismo, la capacitación, el entretenimiento, entre otros. Este tipo de sistemas requiere una gran capacidad de cómputo y recursos de memoria comúnmente disponibles en las plataformas de computo de alto rendimiento. Actualmente, los equipos más potentes tienen arquitecturas heterogéneas con cientos de miles e incluso millones de núcleos. Las tendencias de la industria infieren que los equipos en la era exascale tendran miles de millones. Los desafíos técnicos en el proceso de simulación y visualización en la era exascale se entrelazan con dificultades en otras áreas de investigación, incluidos almacenamiento, comunicación, modelos de programación y hardware. Por esta razón, es necesario crear prototipos, probar y desplegar una variedad de enfoques para abordar los desafíos técnicos identificados y evaluar las ventajas y desventajas de cada solución propuesta. El foco de esta investigación es la visualización y simulación interactiva de multitudes a gran escala. Aprovechar al máximo la capacidad de la infraestructura actual y estar preparado para aprovechar la próxima generación. El proyecto desarrolla un nuevo enfoque para escalar la simulación y visualización de multitudes en un clúster de computo heterogéneo utilizando una técnica basada en tareas. Su principal característica es que es hardware agnóstico. Abstrae las dificultades que implican el uso de arquitecturas heterogéneas como la administración de memoria, las comunicaciones y la sincronización, lo que facilita el desarrollo, el mantenimiento y la escalabilidad. Con el objetivo de flexibilizar y aprovechar los recursos informáticos lo mejor posible, el proyecto explora diferentes configuraciones para conectar la simulación con el motor de visualización. Este tipo de sistemas tienen un uso esencial en emergencias. Por lo tanto, se implementaron escenas urbanas lo más realistas posible, de esta manera los usuarios estarán listos para enfrentar eventos reales. La planificación de caminos para multitudes a gran escala es un desafío a resolver, debido al dinamismo inherente en las escenas y el vasto espacio de búsqueda. Se desarrolló un nuevo algoritmo de búsqueda de caminos. Tiene un enfoque jerárquico que ofrece diferentes ventajas: divide el espacio de búsqueda reduciendo la complejidad del problema, puede obtener una ruta parcial en lugar de esperar a la completa, lo que permite que un personaje comience a moverse y calcule el resto de forma asíncrona, puede reprocesar solo una parte si es necesario con diferentes niveles de abstracción. Se presenta un caso de estudio para una simulación de multitud en escenarios urbanos. Se utilizan datos geolocalizados producidos por dispositivos móviles para predecir el comportamiento individual y público y detectar situaciones anormales en presencia de eventos específicos. También se aborda el desafío de combinar la ubicación de todos estos individuos con una representación 3D del entorno urbano. Dentro del proyecto, se desarrollaron nuevos modelos de comportamiento basados ¿¿en el análisis de datos. Se creo la infraestructura para poder consultar varias fuentes de datos como redes sociales, agencias gubernamentales o empresas de transporte como Uber. Cada vez hay más datos de geolocalización disponibles y mejores recursos de cómputo que permiten realizar un análisis de mayor profundidad, esto sienta las bases para mejorar los modelos de simulación de las multitudes actuales. El uso de simulaciones y su visualización permite observar y organizar las multitudes en tiempo real. El análisis antes, durante y después de eventos multitudinarios diarios puede reducir los riesgos y los costos logísticos asociadosPostprint (published version

Scalable Profiling and Visualization for Characterizing Microbiomes

Metagenomics is the study of the combined genetic material found in microbiome samples, and it serves as an instrument for studying microbial communities, their biodiversities, and the relationships to their host environments. Creating, interpreting, and understanding microbial community profiles produced from microbiome samples is a challenging task as it requires large computational resources along with innovative techniques to process and analyze datasets that can contain terabytes of information. The community profiles are critical because they provide information about what microorganisms are present in the sample, and in what proportions. This is particularly important as many human diseases and environmental disasters are linked to changes in microbiome compositions. In this work we propose novel approaches for the creation and interpretation of microbial community profiles. This includes: (a) a cloud-based, distributed computational system that generates detailed community profiles by processing large DNA sequencing datasets against large reference genome collections, (b) the creation of Microbiome Maps: interpretable, high-resolution visualizations of community profiles, and (c) a machine learning framework for characterizing microbiomes from the Microbiome Maps that delivers deep insights into microbial communities. The proposed approaches have been implemented in three software solutions: Flint, a large scale profiling framework for commercial cloud systems that can process millions of DNA sequencing fragments and produces microbial community profiles at a very low cost; Jasper, a novel method for creating Microbiome Maps, which visualizes the abundance profiles based on the Hilbert curve; and Amber, a machine learning framework for characterizing microbiomes using the Microbiome Maps generated by Jasper with high accuracy. Results show that Flint scales well for reference genome collections that are an order of magnitude larger than those used by competing tools, while using less than a minute to profile a million reads on the cloud with 65 commodity processors. Microbiome maps produced by Jasper are compact, scalable representations of extremely complex microbial community profiles with numerous demonstrable advantages, including the ability to display latent relationships that are hard to elicit. Finally, experiments show that by using images as input instead of unstructured tabular input, the carefully engineered software, Amber, can outperform other sophisticated machine learning tools available for classification of microbiomes

Scaling a convolutional neural network based Flower counting application in a distributed GPU cluster

Taking advantage of modern data acquisition techniques, the researchers of P2IRC located at the University of Saskatchewan developed an application to monitor the status of the flower growth during different phases of the blooming period and the yield prediction of canola crops. Though the application could predict the near accurate number of flowers in a few scenarios, its inability to function under challenging situations such as misinterpreting sun reflection or dust along the roadside as flowers have motivated the researchers to find an alternative approach of counting flowers. In addition to being a more accurate version, another goal is for the new application to be faster to infer the number of flowers and scalable in distributed environments. Putting these goals in mind, in this thesis, a Convolutional neural network (CNN) based flower counting application is developed and evaluated taking inspiration from two other previous works where CNN was used for counting heads in dense crowds and predicting the number of bacterial cells from medical imagery. In addition to that, the application addresses the performance and the accuracy goals previously mentioned. Two challenges of using the neural network are (a) the training needs a large volume of data to converge to a low error and (b) the training is computationally expensive and it takes longer time to complete. To address the first challenge, experiments were run with both "ground truth" estimated using a modified version of the previous flower counter, and ground truth from manual annotation. To address the problem of long training time, two distributed versions of the proposed application were created based on two different distributed architectures called Parameter Server and Ring-AllReduce. Moreover, a detailed explanation of the proposed CNN's architecture along with its memory footprints and GPU utilization is also organized as an in-depth case study to help trace the model's memory consumption during training. From different sets of experiments, the new flower counter application is observed more accurate than its previous version and both implementations of its distributed versions successfully reduced the total completion time as a result of being linearly scalable when more workers are added to run the training. The Ring-AllReduce version performed slightly better than the Parameter Server, but the differences were not substantial