Scalable Applications on Heterogeneous System Architectures: A Systematic Performance Analysis Framework

The efficient parallel execution of scientific applications is a key challenge in high-performance computing (HPC). With growing parallelism and heterogeneity of compute resources as well as increasingly complex software, performance analysis has become an indispensable tool in the development and optimization of parallel programs. This thesis presents a framework for systematic performance analysis of scalable, heterogeneous applications. Based on event traces, it automatically detects the critical path and inefficiencies that result in waiting or idle time, e.g. due to load imbalances between parallel execution streams. As a prerequisite for the analysis of heterogeneous programs, this thesis specifies inefficiency patterns for computation offloading. Furthermore, an essential contribution was made to the development of tool interfaces for OpenACC and OpenMP, which enable a portable data acquisition and a subsequent analysis for programs with offload directives. At present, these interfaces are already part of the latest OpenACC and OpenMP API specification. The aforementioned work, existing preliminary work, and established analysis methods are combined into a generic analysis process, which can be applied across programming models. Based on the detection of wait or idle states, which can propagate over several levels of parallelism, the analysis identifies wasted computing resources and their root cause as well as the critical-path share for each program region. Thus, it determines the influence of program regions on the load balancing between execution streams and the program runtime. The analysis results include a summary of the detected inefficiency patterns and a program trace, enhanced with information about wait states, their cause, and the critical path. In addition, a ranking, based on the amount of waiting time a program region caused on the critical path, highlights program regions that are relevant for program optimization. The scalability of the proposed performance analysis and its implementation is demonstrated using High-Performance Linpack (HPL), while the analysis results are validated with synthetic programs. A scientific application that uses MPI, OpenMP, and CUDA simultaneously is investigated in order to show the applicability of the analysis

Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest supercomputers in the world. Here, we describe some of the ways we have been able to realize this through the use of parallelization on all levels, combined with a constant focus on absolute performance. Release 4.6 of GROMACS uses SIMD acceleration on a wide range of architectures, GPU offloading acceleration, and both OpenMP and MPI parallelism within and between nodes, respectively. The recent work on acceleration made it necessary to revisit the fundamental algorithms of molecular simulation, including the concept of neighborsearching, and we discuss the present and future challenges we see for exascale simulation - in particular a very fine-grained task parallelism. We also discuss the software management, code peer review and continuous integration testing required for a project of this complexity.Comment: EASC 2014 conference proceedin

High-Performance and Time-Predictable Embedded Computing

Nowadays, the prevalence of computing systems in our lives is so ubiquitous that we live in a cyber-physical world dominated by computer systems, from pacemakers to cars and airplanes. These systems demand for more computational performance to process large amounts of data from multiple data sources with guaranteed processing times. Actuating outside of the required timing bounds may cause the failure of the system, being vital for systems like planes, cars, business monitoring, e-trading, etc. High-Performance and Time-Predictable Embedded Computing presents recent advances in software architecture and tools to support such complex systems, enabling the design of embedded computing devices which are able to deliver high-performance whilst guaranteeing the application required timing bounds. Technical topics discussed in the book include: Parallel embedded platforms Programming models Mapping and scheduling of parallel computations Timing and schedulability analysis Runtimes and operating systems The work reflected in this book was done in the scope of the European project P SOCRATES, funded under the FP7 framework program of the European Commission. High-performance and time-predictable embedded computing is ideal for personnel in computer/communication/embedded industries as well as academic staff and master/research students in computer science, embedded systems, cyber-physical systems and internet-of-things.info:eu-repo/semantics/publishedVersio