The readying of applications for heterogeneous computing

High performance computing is approaching a potentially significant change in architectural design. With pressures on the cost and sheer amount of power, additional architectural features are emerging which require a re-think to the programming models deployed over the last two decades. Today's emerging high performance computing (HPC) systems are maximising performance per unit of power consumed resulting in the constituent parts of the system to be made up of a range of different specialised building blocks, each with their own purpose. This heterogeneity is not just limited to the hardware components but also in the mechanisms that exploit the hardware components. These multiple levels of parallelism, instruction sets and memory hierarchies, result in truly heterogeneous computing in all aspects of the global system. These emerging architectural solutions will require the software to exploit tremendous amounts of on-node parallelism and indeed programming models to address this are emerging. In theory, the application developer can design new software using these models to exploit emerging low power architectures. However, in practice, real industrial scale applications last the lifetimes of many architectural generations and therefore require a migration path to these next generation supercomputing platforms. Identifying that migration path is non-trivial: With applications spanning many decades, consisting of many millions of lines of code and multiple scientific algorithms, any changes to the programming model will be extensive and invasive and may turn out to be the incorrect model for the application in question. This makes exploration of these emerging architectures and programming models using the applications themselves problematic. Additionally, the source code of many industrial applications is not available either due to commercial or security sensitivity constraints. This thesis highlights this problem by assessing current and emerging hard- ware with an industrial strength code, and demonstrating those issues described. In turn it looks at the methodology of using proxy applications in place of real industry applications, to assess their suitability on the next generation of low power HPC offerings. It shows there are significant benefits to be realised in using proxy applications, in that fundamental issues inhibiting exploration of a particular architecture are easier to identify and hence address. Evaluations of the maturity and performance portability are explored for a number of alternative programming methodologies, on a number of architectures and highlighting the broader adoption of these proxy applications, both within the authors own organisation, and across the industry as a whole

Evaluating technologies and techniques for transitioning hydrodynamics applications to future generations of supercomputers

Current supercomputer development trends present severe challenges for scientific codebases. Moore’s law continues to hold, however, power constraints have brought an end to Dennard scaling, forcing significant increases in overall concurrency. The performance imbalance between the processor and memory sub-systems is also increasing and architectures are becoming significantly more complex. Scientific computing centres need to harness more computational resources in order to facilitate new scientific insights and maintaining their codebases requires significant investments. Centres therefore have to decide how best to develop their applications to take advantage of future architectures. To prevent vendor "lock-in" and maximise investments, achieving portableperformance across multiple architectures is also a significant concern. Efficiently scaling applications will be essential for achieving improvements in science and the MPI (Message Passing Interface) only model is reaching its scalability limits. Hybrid approaches which utilise shared memory programming models are a promising approach for improving scalability. Additionally PGAS (Partitioned Global Address Space) models have the potential to address productivity and scalability concerns. Furthermore, OpenCL has been developed with the aim of enabling applications to achieve portable-performance across a range of heterogeneous architectures. This research examines approaches for achieving greater levels of performance for hydrodynamics applications on future supercomputer architectures. The development of a Lagrangian-Eulerian hydrodynamics application is presented together with its utility for conducting such research. Strategies for improving application performance, including PGAS- and hybrid-based approaches are evaluated at large node-counts on several state-of-the-art architectures. Techniques to maximise the performance and scalability of OpenMP-based hybrid implementations are presented together with an assessment of how these constructs should be combined with existing approaches. OpenCL is evaluated as an additional technology for implementing a hybrid programming model and improving performance-portability. To enhance productivity several tools for automatically hybridising applications and improving process-to-topology mappings are evaluated. Power constraints are starting to limit supercomputer deployments, potentially necessitating the use of more energy efficient technologies. Advanced processor architectures are therefore evaluated as future candidate technologies, together with several application optimisations which will likely be necessary. An FPGA-based solution is examined, including an analysis of how effectively it can be utilised via a high-level programming model, as an alternative to the specialist approaches which currently limit the applicability of this technology