From Physics Model to Results: An Optimizing Framework for Cross-Architecture Code Generation

Starting from a high-level problem description in terms of partial differential equations using abstract tensor notation, the Chemora framework discretizes, optimizes, and generates complete high performance codes for a wide range of compute architectures. Chemora extends the capabilities of Cactus, facilitating the usage of large-scale CPU/GPU systems in an efficient manner for complex applications, without low-level code tuning. Chemora achieves parallelism through MPI and multi-threading, combining OpenMP and CUDA. Optimizations include high-level code transformations, efficient loop traversal strategies, dynamically selected data and instruction cache usage strategies, and JIT compilation of GPU code tailored to the problem characteristics. The discretization is based on higher-order finite differences on multi-block domains. Chemora's capabilities are demonstrated by simulations of black hole collisions. This problem provides an acid test of the framework, as the Einstein equations contain hundreds of variables and thousands of terms.Comment: 18 pages, 4 figures, accepted for publication in Scientific Programmin

Automated cache optimisations of stencil computations for partial differential equations

This thesis focuses on numerical methods that solve partial differential equations. Our focal point is the finite difference method, which solves partial differential equations by approximating derivatives with explicit finite differences. These partial differential equation solvers consist of stencil computations on structured grids. Stencils for computing real-world practical applications are patterns often characterised by many memory accesses and non-trivial arithmetic expressions that lead to high computational costs compared to simple stencils used in much prior proof-of-concept work. In addition, the loop nests to express stencils on structured grids may often be complicated. This work is highly motivated by a specific domain of stencil computations where one of the challenges is non-aligned to the structured grid ("off-the-grid") operations. These operations update neighbouring grid points through scatter and gather operations via non-affine memory accesses, such as {A[B[i]]}. In addition to this challenge, these practical stencils often include many computation fields (need to store multiple grid copies), complex data dependencies and imperfect loop nests. In this work, we aim to increase the performance of stencil kernel execution. We study automated cache-memory-dependent optimisations for stencil computations. This work consists of two core parts with their respective contributions.The first part of our work tries to reduce the data movement in stencil computations of practical interest. Data movement is a dominant factor affecting the performance of high-performance computing applications. It has long been a target of optimisations due to its impact on execution time and energy consumption. This thesis tries to relieve this cost by applying temporal blocking optimisations, also known as time-tiling, to stencil computations. Temporal blocking is a well-known technique to enhance data reuse in stencil computations. However, it is rarely used in practical applications but rather in theoretical examples to prove its efficacy. Applying temporal blocking to scientific simulations is more complex. More specifically, in this work, we focus on the application context of seismic and medical imaging. In this area, we often encounter scatter and gather operations due to signal sources and receivers at arbitrary locations in the computational domain. These operations make the application of temporal blocking challenging. We present an approach to overcome this challenge and successfully apply temporal blocking.In the second part of our work, we extend the first part as an automated approach targeting a wide range of simulations modelled with partial differential equations. Since temporal blocking is error-prone, tedious to apply by hand and highly complex to assimilate theoretically and practically, we are motivated to automate its application and automatically generate code that benefits from it. We discuss algorithmic approaches and present a generalised compiler pipeline to automate the application of temporal blocking. These passes are written in the Devito compiler. They are used to accelerate the computation of stencil kernels in areas such as seismic and medical imaging, computational fluid dynamics and machine learning. \href{www.devitoproject.org}{Devito} is a Python package to implement optimised stencil computation (e.g., finite differences, image processing, machine learning) from high-level symbolic problem definitions. Devito builds on \href{www.sympy.org}{SymPy} and employs automated code generation and just-in-time compilation to execute optimised computational kernels on several computer platforms, including CPUs, GPUs, and clusters thereof. We show how we automate temporal blocking code generation without user intervention and often achieve better time-to-solution. We enable domain-specific optimisation through compiler passes and offer temporal blocking gains from a high-level symbolic abstraction. These automated optimisations benefit various computational kernels for solving real-world application problems.Open Acces