<p>In-situ workflows are a special class of scientific workflows, where different component applications (such as simulation, visualization, analysis) run concurrently, and data flows continuously between components during the whole workflow lifetime. Traditionally, simulations write large amounts of output data to persistent storage, which are later read for future analysis/visualization. In comparison, in-situ workflows allow analysis/visualization components to consume simulation data while the simulations are still running and thus reduce the I/O overhead. There are recent research works that focus on providing data transport libraries to help compose a group of applications into an integral in-situ workflow. However, only a few ``performance-oriented'' studies exist for in-situ workflows, and most of these works focus on workflows with simple structures (e.g., single producer and single consumer), also without consideration of heterogeneous environments for in-situ workflows. Being able to efficiently utilize heterogeneous computing resources such as multiple Clouds and HPCs can significantly accelerate real-world in-situ workflows, and benefit applications that require both significant computation power and real-time outputs(e.g., identifying abnormal patterns in fluid dynamics). The goal of this dissertation is to provide resource planning algorithms and runtime support, to improve in-situ workflow performance on heterogeneous environments.</p> <p><br></p> <p>This dissertation first investigates the emerging applications of in-situ workflows, which usually include parallel simulation, visualization, and analysis components. Two representative real-world in-situ workflows are studied in details-- a real-time CFD machine learning/visualization workflow and a wildfire spreading workflow. These workflows showcase the capability of in-situ workflows: e.g.,  decoupled and accelerated computation and fast near-real-time response time, however, there is a lack of resource planning and runtime support for general in-situ workflows. For resource planning, I first formulate the optimization problem, and then design and implement a heuristic algorithm called ``SNL'' (Scheduled-Neighbor-Lookup). SNL considers the pipelined execution pattern of in-situ workflows, and guides the resource planning of complex in-situ workflows to achieve higher workflow throughput. For the runtime support, I design and implement the ``INSTANT'' runtime framework, a runtime framework to configure, plan, launch, and monitor in-situ workflows for distributed computing environments. INSTANT provides intuitive interfaces to compose abstract in-situ workflows, manages in-site and cross-site data transfers with ADIOS2, and supports resource planning using profiled performance data. Experiments with the two use cases show that INSTANT can efficiently streamline the orchestration of complex in-situ workflows, and the resource planning capability allows INSTANT to plan and carry out fast workflow execution at different computing resource availabilities.</p>

Increasing computational demand of simulations motivates the use of parallel computing systems. At the same time, this parallelism poses challenges to application developers. The Message Passing Interface (MPI) is a de-facto standard for distributed memory programming in high performance computing. However, its use also enables complex parallel programing errors such as races, communication errors, and deadlocks. Automatic tools can assist application developers in the detection and removal of such errors. This thesis considers tools that detect such errors during an application run and advances them towards a combination of both precise checks (neither false positives nor false negatives) and scalability. This includes novel hierarchical checks that provide scalability, as well as a formal basis for a distributed deadlock detection approach. At the same time, the development of parallel runtime tools is challenging and time consuming, especially if scalability and portability are key design goals. Current tool development projects often create similar tool components, while component reuse remains low. To provide a perspective towards more efficient tool development, which simplifies scalable implementations, component reuse, and tool integration, this thesis proposes an abstraction for a parallel tools infrastructure along with a prototype implementation. This abstraction overcomes the use of multiple interfaces for different types of tool functionality, which limit flexible component reuse. Thus, this thesis advances runtime error detection tools and uses their redesign and their increased scalability requirements to apply and evaluate a novel tool infrastructure abstraction. The new abstraction ultimately allows developers to focus on their tool functionality, rather than on developing or integrating common tool components. The use of such an abstraction in wide ranges of parallel runtime tool development projects could greatly increase component reuse. Thus, decreasing tool development time and cost. An application study with up to 16,384 application processes demonstrates the applicability of both the proposed runtime correctness concepts and of the proposed tools infrastructure.

Irregular algorithms such as graph algorithms, sorting, and sparse matrix multiplication, present numerous programming challenges, including scalability, load balancing, and efficient memory utilization. In this age of Big Data we face additional challenges since the data is often streaming at a high velocity and we wish to make near real-time decisions for real-world events. For instance, we may wish to track Twitter for the pandemic spread of a virus. Analyzing such data sets requires combing algorithmic optimizations and utilization of massively multithreaded architectures, accelerator such as GPUs, and distributed systems. My research focuses upon designing new analytics and algorithms for the continuous monitoring of dynamic social networks. Achieving high performance computing for irregular algorithms such as Social Network Analysis (SNA) is challenging as the instruction flow is highly data dependent and requires domain expertise. The rapid changes in the underlying network necessitates understanding real-world graph properties such as the small world property, shrinking network diameter, power law distribution of edges, and the rate at which updates occur. These properties, with respect to a given analytic, can help design load-balancing techniques, avoid wasteful (redundant) computations, and create streaming algorithms. In the course of my research I have considered several parallel programming paradigms for a wide range systems of multithreaded platforms: x86, NVIDIA's CUDA, Cray XMT2, SSE-SIMD, and Plurality's HyperCore. These unique programming models require examination of the parallel programming at multiple levels: algorithmic design, cache efficiency, fine-grain parallelism, memory bandwidths, data management, load balancing, scheduling, control flow models and more. This thesis deals with these issues and more.

L’histologie produit des images à l’échelle cellulaire grâce à des microscopes optiques très performants. La quantification du tissu marqué comme les neurones s’appuie de plus en plus sur des segmentations par apprentissage automatique. Cependant, l’apprentissage automatique nécessite une grande quantité d’informations intermédiaires, ou caractéristiques, extraites de la donnée brute multipliant d’autant la quantité de données à traiter. Ainsi, le nombre important de ces caractéristiques est un obstacle au traitement robuste et rapide de séries d’images histologiques. Les algorithmes de sélection de caractéristiques pourraient réduire la quantité d’informations nécessaires mais les ensembles de caractéristiques sélectionnés sont peu reproductibles. Nous proposons une méthodologie originale fonctionnant sur des infrastructures de calcul haute-performance (CHP) visant à sélectionner des petits ensembles de caractéristiques stables afin de permettre des segmentations rapides et robustes sur des images histologiques acquises à très haute-résolution. Cette sélection se déroule en deux étapes : la première à l’échelle des familles de caractéristiques. La deuxième est appliquée directement sur les caractéristiques issues de ces familles. Dans ce travail, nous avons obtenu des ensembles généralisables et stables pour deux marquages neuronaux différents. Ces ensembles permettent des réductions significatives des temps de traitement et de la mémoire vive utilisée. Cette méthodologie rendra possible des études histologiques exhaustives à haute-résolution sur des infrastructures CHP que ce soit en recherche préclinique et possiblement clinique. / In preclinical research and more specifically in neurobiology, histology uses images produced by increasingly powerful optical microscopes digitizing entire sections at cell scale. Quantification of stained tissue such as neurons relies on machine learning driven segmentation. However such methods need a lot of additional information, or features, which are extracted from raw data multiplying the quantity of data to process. As a result, the quantity of features is becoming a drawback to process large series of histological images in a fast and robust manner. Feature selection methods could reduce the amount of required information but selected subsets lack of stability. We propose a novel methodology operating on high performance computing (HPC) infrastructures and aiming at finding small and stable sets of features for fast and robust segmentation on high-resolution histological whole sections. This selection has two selection steps: first at feature families scale (an intermediate pool of features, between space and individual feature). Second, feature selection is performed on pre-selected feature families. In this work, the selected sets of features are stables for two different neurons staining. Furthermore the feature selection results in a significant reduction of computation time and memory cost. This methodology can potentially enable exhaustive histological studies at a high-resolution scale on HPC infrastructures for both preclinical and clinical research settings.

Indiana University-Purdue University Indianapolis (IUPUI) / LBM-IB method is useful and popular simulation technique that is adopted ubiquitously to solve Fluid-Structure interaction problems in computational fluid dynamics. These problems are known for utilizing computing resources intensively while solving mathematical equations involved in simulations. Problems involving such interactions are omnipresent, therefore, it is eminent that a faster and accurate algorithm exists for solving these equations, to reproduce a real-life model of such complex analytical problems in a shorter time period. LBM-IB being inherently parallel, proves to be an ideal candidate for developing a parallel software. This research focuses on developing a parallel software library, LBM-IB based on the algorithm proposed by [1] which is first of its kind that utilizes the high performance computing abilities of supercomputers procurable today. An initial sequential version of LBM-IB is developed that is used as a benchmark for correctness and performance evaluation of shared memory parallel versions. Two shared memory parallel versions of LBM-IB have been developed using OpenMP and Pthread library respectively. The OpenMP version is able to scale well enough, as good as 83% speedup on multicore machines for <=8 cores. Based on the profiling and instrumentation done on this version, to improve the data-locality and increase the degree of parallelism, Pthread based data centric version is developed which is able to outperform the OpenMP version by 53% on manycore machines. A distributed version using the MPI interfaces on top of the cube based Pthread version has also been designed to be used by extreme scale distributed memory manycore systems.

In order to run and manage resource-intensive high-performance applications, large-scale computing and storage platforms have been evolving rapidly in various domains in both academia and industry. The energy expenditure consumed to operate and maintain these cloud computing infrastructures is a major factor to influence the overall profit and efficiency for most cloud service providers. Moreover, considering the mitigation of environmental damage from excessive carbon dioxide emission, the amount of power consumed by enterprise-scale data centers should be constrained for protection of the environment.Generally speaking, there exists a trade-off between power consumption and application performance in large-scale computing systems and how to balance these two factors has become an important topic for researchers and engineers in cloud and HPC communities. Therefore, minimizing the power usage while satisfying the Service Level Agreements have become one of the most desirable objectives in cloud computing research and implementation. Since the fundamental feature of the cloud computing platform is hosting workloads with a variety of characteristics in a consolidated and on-demand manner, it is demanding to explore the inherent relationship between power usage and machine configurations. Subsequently, with an understanding of these inherent relationships, researchers are able to develop effective power management policies to optimize productivity by balancing power usage and system performance. In this dissertation, we develop an autonomic power-aware system management framework for large-scale computer systems. We propose a series of techniques including coarse-grain power profiling, VM power modelling, power-aware resource auto-configuration and full-system power usage simulator. These techniques help us to understand the characteristics of power consumption of various system components. Based on these techniques, we are able to test various job scheduling strategies and develop resource management approaches to enhance the systems' power efficiency.

Providing performance and isolation guarantees for applications running in virtualized datacenter environments requires continuous management of the underlying physical resources. For communication- and I/O-intensive applications running on such platforms, the management methods must adequately deal with the shared use of the high-performance fabrics these applications require. In particular, new classes of latency-sensitive and data-intensive workloads running in virtualized environments rely on emerging fabrics like 40+Gbps Ethernet and InfiniBand/RoCE with support for RDMA, VMM-bypass and hardware-level virtualization (SR-IOV). However, the benefits provided by these technology advances are offset by several management constraints: (i) the inability of the hypervisor to monitor the VMs’ usage of these fabrics can affect the platform’s ability to provide isolation and performance guarantees, (ii) the hypervisor cannot provide fine-grained I/O provisioning or perform management decisions for VMs, thus reducing the degree of consolidation that can be supported on the platforms, and (iii) without such support it is harder to integrate these fabrics into emerging cloud computing platforms and datacenter fabric management solutions. This is made particularly challenging for workloads spanning multiple VMs, utilizing physical resources distributed across multiple server nodes and the interconnection fabric. This thesis addresses the problem of realizing a flexible, dynamic resource management system for virtualized platforms with high performance fabrics. We make the following key contributions: (i) A lightweight monitoring tool, IBMon, integrated with the hypervisor to monitor VMs’ use of RDMA-enabled virtualized interconnects, using memory introspection techniques. (ii) The design and construction of a resource management system that leverages IBMon to provide latency-sensitive applications performance guarantees. This system is built on microeconomic principles of supply and demand and can be deployed on a per-node (Resource Exchange) or a multi-node (Distributed Resource Exchange) basis. Fine-grained resource allocations can be enforced through several mechanisms, including CPU capping or fabric-level congestion control. (iii) Sphinx, a fabric management solution that leverages Resource Exchange to orchestrate network and provide latency proportionality for consolidated workloads, based on user/application-specified policies. (iv) Implementation and experimental evaluation using InfiniBand clusters virtualized with the Xen or KVM hypervisor, managed via the OpenFloodlight SDN controller, and using representative data-intensive and latency-sensitive benchmarks.

The Explicit Finite Element Method is a powerful tool in nonlinear dynamic finite element analysis. Recent major developments in computational devices, in particular, General Purpose Graphical Processing Units (GPGPU's) now make it possible to increase the performance of the explicit FEM. This dissertation investigates existing explicit finite element method algorithms which are then redesigned for GPU's and implemented. The performance of these algorithms is assessed and a new asynchronous variational integrator spatial decomposition (AVISD) algorithm is developed which is flexible and encompasses all other methods and can be tuned based for a user-defined problem and the performance of the user's computer. The mesh-aware performance of the proposed explicit finite element algorithm is studied and verified by implementation. The current research also introduces the use of a Particle Swarm Optimization method to tune the performance of the proposed algorithm automatically given a finite element mesh and the performance characteristics of a user's computer. For this purpose, a time performance model is developed which depends on the finite element mesh and the machine performance. This time performance model is then used as an objective function to minimize the run-time cost. Also, based on the performance model provided in this research and predictions about the changes in GPU's in the near future, the performance of the AVISD method is predicted for future machines. Finally, suggestions and insights based on these results are proposed to help facilitate future explicit FEM development.

The stagnant performance of single core processors, increasing size of data sets, and variety of structure in information has made the domain of parallel and high-performance computing especially crucial. Graphics Processing Units (GPUs) have recently become an exciting alternative to traditional CPU architectures for applications in this domain. Although GPUs are designed for rendering graphics, research has found that the GPU architecture is well-suited to algorithms that search and analyze unstructured, graph-based data, offering up to an order of magnitude greater memory bandwidth over their CPU counterparts. This thesis focuses on GPU graph analysis from the perspective that algorithms should be efficient on as many classes of graphs as possible, rather than being specialized to a specific class, such as social networks or road networks. Using betweenness centrality, a popular analytic used to find prominent entities of a network, as a motivating example, we show how parallelism, distributed computing, hybrid and on-line algorithms, and dynamic algorithms can all contribute to substantial improvements in the performance and energy-efficiency of these computations. We further generalize this approach and provide an abstraction that can be applied to a whole class of graph algorithms that require many simultaneous breadth-first searches. Finally, to show that our findings can be applied in real-world scenarios, we apply these techniques to the problem of verifying that a multiprocessor complies with its memory consistency model.

Dynamic balancing of computation and communication load is vital for the execution stability and performance of distributed, parallel simulations deployed on shared, unreliable resources of large-scale environments. High Level Architecture (HLA) based simulations can experience a decrease in performance due to imbalances that are produced initially and/or during run-time. These imbalances are generated by the dynamic load changes of distributed simulations or by unknown, non-managed background processes resulting from the non-dedication of shared resources. Due to the dynamic execution characteristics of elements that compose distributed simulation applications, the computational load and interaction dependencies of each simulation entity change during run-time. These dynamic changes lead to an irregular load and communication distribution, which increases overhead of resources and execution delays. A static partitioning of load is limited to deterministic applications and is incapable of predicting the dynamic changes caused by distributed applications or by external background processes. Due to the relevance in dynamically balancing load for distributed simulations, many balancing approaches have been proposed in order to offer a sub-optimal balancing solution, but they are limited to certain simulation aspects, specific to determined applications, or unaware of HLA-based simulation characteristics. Therefore, schemes for balancing the communication and computational load during the execution of distributed simulations are devised, adopting a hierarchical architecture. First, in order to enable the development of such balancing schemes, a migration technique is also employed to perform reliable and low-latency simulation load transfers. Then, a centralized balancing scheme is designed; this scheme employs local and cluster monitoring mechanisms in order to observe the distributed load changes and identify imbalances, and it uses load reallocation policies to determine a distribution of load and minimize imbalances. As a measure to overcome the drawbacks of this scheme, such as bottlenecks, overheads, global synchronization, and single point of failure, a distributed redistribution algorithm is designed. Extensions of the distributed balancing scheme are also developed to improve the detection of and the reaction to load imbalances. These extensions introduce communication delay detection, migration latency awareness, self-adaptation, and load oscillation prediction in the load redistribution algorithm. Such developed balancing systems successfully improved the use of shared resources and increased distributed simulations' performance.