Developing performance-portable molecular dynamics kernels in Open CL

This paper investigates the development of a molecular dynamics code that is highly portable between architectures. Using OpenCL, we develop an implementation of Sandia’s miniMD benchmark that achieves good levels of performance across a wide range of hardware: CPUs, discrete GPUs and integrated GPUs. We demonstrate that the performance bottlenecks of miniMD’s short-range force calculation kernel are the same across these architectures, and detail a number of platform- agnostic optimisations that improve its performance by at least 2x on all hardware considered. Our complete code is shown to be 1.7x faster than the original miniMD, and at most 2x slower than implementations individually hand-tuned for a specific architecture

Mixing multi-core CPUs and GPUs for scientific simulation software

Recent technological and economic developments have led to widespread availability of multi-core CPUs and specialist accelerator processors such as graphical processing units (GPUs). The accelerated computational performance possible from these devices can be very high for some applications paradigms. Software languages and systems such as NVIDIA's CUDA and Khronos consortium's open compute language (OpenCL) support a number of individual parallel application programming paradigms. To scale up the performance of some complex systems simulations, a hybrid of multi-core CPUs for coarse-grained parallelism and very many core GPUs for data parallelism is necessary. We describe our use of hybrid applica- tions using threading approaches and multi-core CPUs to control independent GPU devices. We present speed-up data and discuss multi-threading software issues for the applications level programmer and o er some suggested areas for language development and integration between coarse-grained and ne-grained multi-thread systems. We discuss results from three common simulation algorithmic areas including: partial di erential equations; graph cluster metric calculations and random number generation. We report on programming experiences and selected performance for these algorithms on: single and multiple GPUs; multi-core CPUs; a CellBE; and using OpenCL. We discuss programmer usability issues and the outlook and trends in multi-core programming for scienti c applications developers

C Language Extensions for Hybrid CPU/GPU Programming with StarPU

Modern platforms used for high-performance computing (HPC) include machines with both general-purpose CPUs, and "accelerators", often in the form of graphical processing units (GPUs). StarPU is a C library to exploit such platforms. It provides users with ways to define "tasks" to be executed on CPUs or GPUs, along with the dependencies among them, and by automatically scheduling them over all the available processing units. In doing so, it also relieves programmers from the need to know the underlying architecture details: it adapts to the available CPUs and GPUs, and automatically transfers data between main memory and GPUs as needed. While StarPU's approach is successful at addressing run-time scheduling issues, being a C library makes for a poor and error-prone programming interface. This paper presents an effort started in 2011 to promote some of the concepts exported by the library as C language constructs, by means of an extension of the GCC compiler suite. Our main contribution is the design and implementation of language extensions that map to StarPU's task programming paradigm. We argue that the proposed extensions make it easier to get started with StarPU,eliminate errors that can occur when using the C library, and help diagnose possible mistakes. We conclude on future work

Lattice QCD based on OpenCL

We present an OpenCL-based Lattice QCD application using a heatbath algorithm for the pure gauge case and Wilson fermions in the twisted mass formulation. The implementation is platform independent and can be used on AMD or NVIDIA GPUs, as well as on classical CPUs. On the AMD Radeon HD 5870 our double precision dslash implementation performs at 60 GFLOPS over a wide range of lattice sizes. The hybrid Monte-Carlo presented reaches a speedup of four over the reference code running on a server CPU.Comment: 19 pages, 11 figure

Evaluating Cache Coherent Shared Virtual Memory for Heterogeneous Multicore Chips

The trend in industry is towards heterogeneous multicore processors (HMCs), including chips with CPUs and massively-threaded throughput-oriented processors (MTTOPs) such as GPUs. Although current homogeneous chips tightly couple the cores with cache-coherent shared virtual memory (CCSVM), this is not the communication paradigm used by any current HMC. In this paper, we present a CCSVM design for a CPU/MTTOP chip, as well as an extension of the pthreads programming model, called xthreads, for programming this HMC. Our goal is to evaluate the potential performance benefits of tightly coupling heterogeneous cores with CCSVM