GT4Py: High Performance Stencils for Weather and Climate Applications using Python

All major weather and climate applications are currently developed using languages such as Fortran or C++. This is typical in the domain of high performance computing (HPC), where efficient execution is an important concern. Unfortunately, this approach leads to implementations that intermix optimizations for specific hardware architectures with the high-level numerical methods that are typical for the domain. This leads to code that is verbose, difficult to extend and maintain, and difficult to port to different hardware architectures. Here, we propose a different strategy based on GT4Py (GridTools for Python). GT4Py is a Python framework to write weather and climate applications that includes a high-level embedded domain specific language (DSL) to write stencil computations. The toolchain integrated in GT4Py enables automatic code-generation,to obtain the performance of state-of-the-art C++ and CUDA implementations. The separation of concerns between the mathematical definitions and the actual implementations allows for performance portability of the computations on a wide range of computing architectures, while being embedded in Python allows easy access to the tools of the Python ecosystem to enhance the productivity of the scientists and facilitate integration in complex workflows. Here, the initial release of GT4Py is described, providing an overview of the current state of the framework and performance results showing how GT4Py can outperform pure Python implementations by orders of magnitude.Comment: 12 page

Productivity, performance, and portability for computational fluid dynamics applications

Hardware trends over the last decade show increasing complexity and heterogeneity in high performance computing architectures, which presents developers of CFD applications with three key challenges; the need for achieving good performance, being able to utilise current and future hardware by being portable, and doing so in a productive manner. These three appear to contradict each other when using traditional programming approaches, but in recent years, several strategies such as template libraries and Domain Specific Languages have emerged as a potential solution; by giving up generality and focusing on a narrower domain of problems, all three can be achieved. This paper gives an overview of the state-of-the-art for delivering performance, portability, and productivity to CFD applications, ranging from high-level libraries that allow the symbolic description of PDEs to low-level techniques that target individual algorithmic patterns. We discuss advantages and challenges in using each approach, and review the performance benchmarking literature that compares implementations for hardware architectures and their programming methods, giving an overview of key applications and their comparative performance

Domain-specific implementation of high-order Discontinuous Galerkin methods in spherical geometry

In recent years, domain-specific languages (DSLs) have achieved significant success in large-scale efforts to reimplement existing meteorological models in a performance portable manner. The dynamical cores of these models are based on finite difference and finite volume schemes, and existing DSLs are generally limited to supporting only these numerical methods. In the meantime, there have been numerous attempts to use high-order Discontinuous Galerkin (DG) methods for atmospheric dynamics, which are currently largely unsupported in main-stream DSLs. In order to link these developments, we present two domain-specific languages which extend the existing GridTools (GT) ecosystem to high-order DG discretization. The first is a C++-based DSL called G4GT, which, despite being no longer supported, gave us the impetus to implement extensions to the subsequent Python-based production DSL called GT4Py to support the operations needed for DG solvers. As a proof of concept, the shallow water equations in spherical geometry are implemented in both DSLs, thus providing a blueprint for the application of domain-specific languages to the development of global atmospheric models. We believe this is the first GPU-capable DSL implementation of DG in spherical geometry. The results demonstrate that a DSL designed for finite difference/volume methods can be successfully extended to implement a DG solver, while preserving the performance-portability of the DSL.ISSN:0010-4655ISSN:1879-294

Evaluating Performance of OpenMP Tasks in a Seismic Stencil Application

Simulations based on stencil computations (widely used in geosciences) have been dominated by the MPI+OpenMP programming model paradigm. Little effort has been devoted to experimenting with task-based parallelism in this context. We address this by introducing OpenMP task parallelism into the kernel of an industrial seismic modeling code, Minimod. We observe that even for these highly regular stencil computations, taskified kernels are competitive with traditional OpenMP-augmented loops, and in some experiments tasks even outperform loop parallelism. This promising result sets the stage for more complex computational patterns. Simulations involve more than just the stencil calculation: a collection of kernels is often needed to accomplish the scientific objective (e.g., I/O, boundary conditions). These kernels can often be computed simultaneously; however, implementing this simultaneous computation with traditional programming models is not trivial. The presented approach will be extended to cover simultaneous execution of several kernels, where we expect to fully exploit the benefits of task-based programming

AIMES: advanced computation and I/O methods for earth-system simulations

Dealing with extreme scale Earth-system models is challenging from the computer science perspective, as the required computing power and storage capacity are steadily increasing. Scientists perform runs with growing resolution or aggregate results from many similar smaller-scale runs with slightly different initial conditions (the so-called ensemble runs). In the fifth Coupled Model Intercomparison Project (CMIP5), the produced datasets require more than three Petabytes of storage and the compute and storage requirements are increasing significantly for CMIP6. Climate scientists across the globe are developing next-generation models based on improved numerical formulation leading to grids that are discretized in alternative forms such as an icosahedral (geodesic) grid. The developers of these models face similar problems in scaling, maintaining and optimizing code. Performance portability and the maintainability of code are key concerns of scientists as, compared to industry projects, model code is continuously revised and extended to incorporate further levels of detail. This leads to a rapidly growing code base that is rarely refactored. However, code modernization is important to maintain productivity of the scientist working with the code and for utilizing performance provided by modern and future architectures. The need for performance optimization is motivated by the evolution of the parallel architecture landscape from homogeneous flat machines to heterogeneous combinations of processors with deep memory hierarchy. Notably, the rise of many-core, throughput-oriented accelerators, such as GPUs, requires non-trivial code changes at minimum and, even worse, may necessitate a substantial rewrite of the existing codebase. At the same time, the code complexity increases the difficulty for computer scientists and vendors to understand and optimize the code for a given system. Storing the products of climate predictions requires a large storage and archival system which is expensive. Often, scientists restrict the number of scientific variables and write interval to keep the costs balanced. Compression algorithms can reduce the costs significantly but can also increase the scientific yield of simulation runs. In the AIMES project, we addressed the key issues of programmability, computational efficiency and I/O limitations that are common in next-generation icosahedral earth-system models. The project focused on the separation of concerns between domain scientist, computational scientists, and computer scientists