Benchmarking mixed-mode PETSc performance on high-performance architectures

The trend towards highly parallel multi-processing is ubiquitous in all modern computer architectures, ranging from handheld devices to large-scale HPC systems; yet many applications are struggling to fully utilise the multiple levels of parallelism exposed in modern high-performance platforms. In order to realise the full potential of recent hardware advances, a mixed-mode between shared-memory programming techniques and inter-node message passing can be adopted which provides high-levels of parallelism with minimal overheads. For scientific applications this entails that not only the simulation code itself, but the whole software stack needs to evolve. In this paper, we evaluate the mixed-mode performance of PETSc, a widely used scientific library for the scalable solution of partial differential equations. We describe the addition of OpenMP threaded functionality to the library, focusing on sparse matrix-vector multiplication. We highlight key challenges in achieving good parallel performance, such as explicit communication overlap using task-based parallelism, and show how to further improve performance by explicitly load balancing threads within MPI processes. Using a set of matrices extracted from Fluidity, a CFD application code which uses the library as its linear solver engine, we then benchmark the parallel performance of mixed-mode PETSc across multiple nodes on several modern HPC architectures. We evaluate the parallel scalability on Uniform Memory Access (UMA) systems, such as the Fujitsu PRIMEHPC FX10 and IBM BlueGene/Q, as well as a Non-Uniform Memory Access (NUMA) Cray XE6 platform. A detailed comparison is performed which highlights the characteristics of each particular architecture, before demonstrating efficient strong scalability of sparse matrix-vector multiplication with significant speedups over the pure-MPI mode

Optimised hybrid parallelisation of a CFD code on Many Core architectures

COSA is a novel CFD system based on the compressible Navier-Stokes model for unsteady aerodynamics and aeroelasticity of fixed structures, rotary wings and turbomachinery blades. It includes a steady, time domain, and harmonic balance flow solver. COSA has primarily been parallelised using MPI, but there is also a hybrid parallelisation that adds OpenMP functionality to the MPI parallelisation to enable larger number of cores to be utilised for a given simulation as the MPI parallelisation is limited to the number of geometric partitions (or blocks) in the simulation, or to exploit multi-threaded hardware where appropriate. This paper outlines the work undertaken to optimise these two parallelisation strategies, improving the efficiency of both and therefore reducing the computational time required to compute simulations. We also analyse the power consumption of the code on a range of leading HPC systems to further understand the performance of the code.Comment: Submitted to the SC13 conference, 10 pages with 8 figure

Multilayered abstractions for partial differential equations

How do we build maintainable, robust, and performance-portable scientific applications? This thesis argues that the answer to this software engineering question in the context of the finite element method is through the use of layers of Domain-Specific Languages (DSLs) to separate the various concerns in the engineering of such codes. Performance-portable software achieves high performance on multiple diverse hardware platforms without source code changes. We demonstrate that finite element solvers written in a low-level language are not performance-portable, and therefore code must be specialised to the target architecture by a code generation framework. A prototype compiler for finite element variational forms that generates CUDA code is presented, and is used to explore how good performance on many-core platforms in automatically-generated finite element applications can be achieved. The differing code generation requirements for multi- and many-core platforms motivates the design of an additional abstraction, called PyOP2, that enables unstructured mesh applications to be performance-portable. We present a runtime code generation framework comprised of the Unified Form Language (UFL), the FEniCS Form Compiler, and PyOP2. This toolchain separates the succinct expression of a numerical method from the selection and generation of efficient code for local assembly. This is further decoupled from the selection of data formats and algorithms for efficient parallel implementation on a specific target architecture. We establish the successful separation of these concerns by demonstrating the performance-portability of code generated from a single high-level source code written in UFL across sequential C, CUDA, MPI and OpenMP targets. The performance of the generated code exceeds the performance of comparable alternative toolchains on multi-core architectures.Open Acces

A survey of high level frameworks in block-structured adaptive mesh refinement packages

pre-printOver the last decade block-structured adaptive mesh refinement (SAMR) has found increasing use in large, publicly available codes and frameworks. SAMR frameworks have evolved along different paths. Some have stayed focused on specific domain areas, others have pursued a more general functionality, providing the building blocks for a larger variety of applications. In this survey paper we examine a representative set of SAMR packages and SAMR-based codes that have been in existence for half a decade or more, have a reasonably sized and active user base outside of their home institutions, and are publicly available. The set consists of a mix of SAMR packages and application codes that cover a broad range of scientific domains. We look at their high-level frameworks, their design trade-offs and their approach to dealing with the advent of radical changes in hardware architecture. The codes included in this survey are BoxLib, Cactus, Chombo, Enzo, FLASH, and Uintah