Vectorizing unstructured mesh computations for many-core architectures.

Achieving optimal performance on the latest multi-core and many-core architectures increasingly depends on making efficient use of the hardware's vector units. This paper presents results on achieving high performance through vectorization on CPUs and the Xeon-Phi on a key class of irregular applications: unstructured mesh computations. Using single instruction multiple thread (SIMT) and single instruction multiple data (SIMD) programming models, we show how unstructured mesh computations map to OpenCL or vector intrinsics through the use of code generation techniques in the OP2 Domain Specific Library and explore how irregular memory accesses and race conditions can be organized on different hardware. We benchmark Intel Xeon CPUs and the Xeon-Phi, using a tsunami simulation and a representative CFD benchmark. Results are compared with previous work on CPUs and NVIDIA GPUs to provide a comparison of achievable performance on current many-core systems. We show that auto-vectorization and the OpenCL SIMT model do not map efficiently to CPU vector units because of vectorization issues and threading overheads. In contrast, using SIMD vector intrinsics imposes some restrictions and requires more involved programming techniques but results in efficient code and near-optimal performance, two times faster than non-vectorized code. We observe that the Xeon-Phi does not provide good performance for these applications but is still comparable with a pair of mid-range Xeon chips

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

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

PRISM: an intelligent adaptation of prefetch and SMT levels

Current microprocessors include hardware to optimize some specifics workloads. In general, these hardware knobs are set on a default configuration on the booting process of the machine. This default behavior cannot be beneficial for all types of workloads and they are not controlled by anyone but the end user, who needs to know what configuration is the best one for the workload running. Some of these knobs are: (1) the Simultaneous MultiThreading level, which specifies the number of threads that can run simultaneously on a physical CPU, and (2) the data prefetch engine, that manages the prefetches on memory. Parallel programming models are here to stay, and one programming model that succeed in allowing programmers to easily parallelize applications is Open Multi Processing (OMP). Also, the architecture of microprocessors is getting more complex that end users cannot afford to optimize their workloads for all the architectural details. These architectural knobs can help to increase performance but it is needed an automatic and adaptive system managing them. In this work we propose an independent library for OpenMP runtimes to increase performance up to 220% (14.7% on average) while reducing dynamic power consumption up to 13% (2% on average) on a real POWER8 processor