DAG-based software frameworks for PDEs

pre-printThe task-based approach to software and parallelism is well-known and has been proposed as a potential candidate, named the silver model, for exas-cale software. This approach is not yet widely used in the large-scale multi-core parallel computing of complex systems of partial differential equations. After surveying task-based approaches we investigate how well the Uintah software and an extension named Wasatch fit in the task-based paradigm and how well they perform on large scale parallel computers. The conclusion is that these approaches show great promise for petascale but that considerable algorithmic challenges remain

Doctor of Philosophy

dissertationSolutions to Partial Di erential Equations (PDEs) are often computed by discretizing the domain into a collection of computational elements referred to as a mesh. This solution is an approximation with an error that decreases as the mesh spacing decreases. However, decreasing the mesh spacing also increases the computational requirements. Adaptive mesh re nement (AMR) attempts to reduce the error while limiting the increase in computational requirements by re ning the mesh locally in regions of the domain that have large error while maintaining a coarse mesh in other portions of the domain. This approach often provides a solution that is as accurate as that obtained from a much larger xed mesh simulation, thus saving on both computational time and memory. However, historically, these AMR operations often limit the overall scalability of the application. Adapting the mesh at runtime necessitates scalable regridding and load balancing algorithms. This dissertation analyzes the performance bottlenecks for a widely used regridding algorithm and presents two new algorithms which exhibit ideal scalability. In addition, a scalable space- lling curve generation algorithm for dynamic load balancing is also presented. The performance of these algorithms is analyzed by determining their theoretical complexity, deriving performance models, and comparing the observed performance to those performance models. The models are then used to predict performance on larger numbers of processors. This analysis demonstrates the necessity of these algorithms at larger numbers of processors. This dissertation also investigates methods to more accurately predict workloads based on measurements taken at runtime. While the methods used are not new, the application of these methods to the load balancing process is. These methods are shown to be highly accurate and able to predict the workload within 3% error. By improving the accuracy of these estimations, the load imbalance of the simulation can be reduced, thereby increasing the overall performance

A grid-enabled problem solving environment for parallel computational engineering design

This paper describes the development and application of a piece of engineering software that provides a problem solving environment (PSE) capable of launching, and interfacing with, computational jobs executing on remote resources on a computational grid. In particular it is demonstrated how a complex, serial, engineering optimisation code may be efficiently parallelised, grid-enabled and embedded within a PSE. The environment is highly flexible, allowing remote users from different sites to collaborate, and permitting computational tasks to be executed in parallel across multiple grid resources, each of which may be a parallel architecture. A full working prototype has been built and successfully applied to a computationally demanding engineering optimisation problem. This particular problem stems from elastohydrodynamic lubrication and involves optimising the computational model for a lubricant based on the match between simulation results and experimentally observed data

Doctor of Philosophy

dissertationRecent trends in high performance computing present larger and more diverse computers using multicore nodes possibly with accelerators and/or coprocessors and reduced memory. These changes pose formidable challenges for applications code to attain scalability. Software frameworks that execute machine-independent applications code using a runtime system that shields users from architectural complexities oer a portable solution for easy programming. The Uintah framework, for example, solves a broad class of large-scale problems on structured adaptive grids using fluid-flow solvers coupled with particle-based solids methods. However, the original Uintah code had limited scalability as tasks were run in a predefined order based solely on static analysis of the task graph and used only message passing interface (MPI) for parallelism. By using a new hybrid multithread and MPI runtime system, this research has made it possible for Uintah to scale to 700K central processing unit (CPU) cores when solving challenging fluid-structure interaction problems. Those problems often involve moving objects with adaptive mesh refinement and thus with highly variable and unpredictable work patterns. This research has also demonstrated an ability to run capability jobs on the heterogeneous systems with Nvidia graphics processing unit (GPU) accelerators or Intel Xeon Phi coprocessors. The new runtime system for Uintah executes directed acyclic graphs of computational tasks with a scalable asynchronous and dynamic runtime system for multicore CPUs and/or accelerators/coprocessors on a node. Uintah's clear separation between application and runtime code has led to scalability increases without significant changes to application code. This research concludes that the adaptive directed acyclic graph (DAG)-based approach provides a very powerful abstraction for solving challenging multiscale multiphysics engineering problems. Excellent scalability with regard to the different processors and communications performance are achieved on some of the largest and most powerful computers available today

Evaluation of Dataflow Programming Models for Electronic Structure Theory

International audienceDataflow programming models have been growing in popularity as a means to deliver a good balance between performance and portability in the post-petascale era. In this paper we evaluate different dataflow programming models for electronic structure methods and compare them in terms of programmability, resource utilization, and scalability. In particular, we evaluate two programming paradigms for expressing scientific applications in a dataflow form: (1) explicit dataflow, where the dataflow is specified explicitly by the developer, and (2) implicit dataflow, where a task scheduling runtime derives the dataflow using per-task data-access information embedded in a serial program. We discuss our findings and present a thorough experimental analysis using methods from the NWCHEM quantum chemistry application as our case study, and OPENMP, STARPU and PARSEC as the task-based runtimes that enable the different forms of dataflow execution. Furthermore, we derive an abstract model to explore the limits of the different dataflow programming paradigms

Dataflow Programming Paradigms for Computational Chemistry Methods

The transition to multicore and heterogeneous architectures has shaped the High Performance Computing (HPC) landscape over the past decades. With the increase in scale, complexity, and heterogeneity of modern HPC platforms, one of the grim challenges for traditional programming models is to sustain the expected performance at scale. By contrast, dataflow programming models have been growing in popularity as a means to deliver a good balance between performance and portability in the post-petascale era. This work introduces dataflow programming models for computational chemistry methods, and compares different dataflow executions in terms of programmability, resource utilization, and scalability. This effort is driven by computational chemistry applications, considering that they comprise one of the driving forces of HPC. In particular, many-body methods, such as Coupled Cluster methods (CC), which are the gold standard to compute energies in quantum chemistry, are of particular interest for the applied chemistry community. On that account, the latest development for CC methods is used as the primary vehicle for this research, but our effort is not limited to CC and can be applied across other application domains. Two programming paradigms for expressing CC methods into a dataflow form, in order to make them capable of utilizing task scheduling systems, are presented. Explicit dataflow, is the programming model where the dataflow is explicitly specified by the developer, is contrasted with implicit dataflow, where a task scheduling runtime derives the dataflow. An abstract model is derived to explore the limits of the different dataflow programming paradigms

Advanced semantics for accelerated graph processing

Large-scale graph applications are of great national, commercial, and societal importance, with direct use in fields such as counter-intelligence, proteomics, and data mining. Unfortunately, graph-based problems exhibit certain basic characteristics that make them a poor match for conventional computing systems in terms of structure, scale, and semantics. Graph processing kernels emphasize sparse data structures and computations with irregular memory access patterns that destroy the temporal and spatial locality upon which modern processors rely for performance. Furthermore, applications in this area utilize large data sets, and have been shown to be more data intensive than typical floating-point applications, two properties that lead to inefficient utilization of the hierarchical memory system. Current approaches to processing large graph data sets leverage traditional HPC systems and programming models, for shared memory and message-passing computation, and are thus limited in efficiency, scalability, and programmability. The research presented in this thesis investigates the potential of a new model of execution that is hypothesized as a promising alternative for graph-based applications to conventional practices. A new approach to graph processing is developed and presented in this thesis. The application of the experimental ParalleX execution model to graph processing balances continuation-migration style fine-grain concurrency with constraint-based synchronization through embedded futures. A collection of parallel graph application kernels provide experiment control drivers for analysis and evaluation of this innovative strategy. Finally, an experimental software library for scalable graph processing, the ParalleX Graph Library, is defined using the HPX runtime system, providing an implementation of the key concepts and a framework for development of ParalleX-based graph applications

Doctor of Philosophy

dissertationIn the static analysis of functional programs, control- ow analysis (k-CFA) is a classic method of approximating program behavior as a infinite state automata. CFA2 and abstract garbage collection are two recent, yet orthogonal improvements, on k-CFA. CFA2 approximates program behavior as a pushdown system, using summarization for the stack. CFA2 can accurately approximate arbitrarily-deep recursive function calls, whereas k-CFA cannot. Abstract garbage collection removes unreachable values from the store/heap. If unreachable values are not removed from a static analysis, they can become reachable again, which pollutes the final analysis and makes it less precise. Unfortunately, as these two techniques were originally formulated, they are incompatible. CFA2's summarization technique for managing the stack obscures the stack such that abstract garbage collection is unable to examine the stack for reachable values. This dissertation presents introspective pushdown control-flow analysis, which manages the stack explicitly through stack changes (pushes and pops). Because this analysis is able to examine the stack by how it has changed, abstract garbage collection is able to examine the stack for reachable values. Thus, introspective pushdown control-flow analysis merges successfully the benefits of CFA2 and abstract garbage collection to create a more precise static analysis. Additionally, the high-performance computing community has viewed functional programming techniques and tools as lacking the efficiency necessary for their applications. Nebo is a declarative domain-specific language embedded in C++ for discretizing partial differential equations for transport phenomena. For efficient execution, Nebo exploits a version of expression templates, based on the C++ template system, which is a type-less, completely-pure, Turing-complete functional language with burdensome syntax. Nebo's declarative syntax supports functional tools, such as point-wise lifting of complex expressions and functional composition of stencil operators. Nebo's primary abstraction is mathematical assignment, which separates what a calculation does from how that calculation is executed. Currently Nebo supports single-core execution, multicore (thread-based) parallel execution, and GPU execution. With single-core execution, Nebo performs on par with the loops and code that it replaces in Wasatch, a pre-existing high-performance simulation project. With multicore (thread-based) execution, Nebo can linearly scale (with roughly 90% efficiency) up to 6 processors, compared to its single-core execution. Moreover, Nebo's GPU execution can be up to 37x faster than its single-core execution. Finally, Wasatch (the pre-existing high-performance simulation project which uses Nebo) can scale up to 262K cores

Reducing synchronization in distributed parallel programs

Developers of scalable libraries and applications for distributed-memory parallel systems face many challenges to attaining high performance. These challenges include communication latency, critical path delay, suboptimal scheduling, load imbalance, and system noise. These challenges are often defined and measured relative to points of broad synchronization in the program’s execution. Given the way in which many algorithms are defined and systems are implemented, gauging the above challenges at synchronization points is not unreasonable. In this thesis, I attempt to demonstrate that in many cases, those synchronization points are themselves the core issue behind these challenges. In some cases, the synchronizing operations cause a program to incur the costs from these challenges. In other cases, the presence of synchronization potentially exacerbates these problems. Through a simple performance model, I demonstrate that making synchronization less frequent can greatly mitigate performance issues. My work and several results in the literature show that many motifs and whole applications can be successfully redesigned to operate with asymptotically less synchronization than their naïve starting points. In exploring these issues, I have identified recurrent patterns across many applications and multiple environments that can guide future efforts more directly toward synchronization-avoiding designs. Thus, I attempt to offer developers the beginnings of a high-level play-book to follow rather than having to rediscover application-specific instances of the patterns