The ESCAPE project : Energy-efficient Scalable Algorithms for Weather Prediction at Exascale

In the simulation of complex multi-scale flows arising in weather and climate modelling, one of the biggest challenges is to satisfy strict service requirements in terms of time to solution and to satisfy budgetary constraints in terms of energy to solution, without compromising the accuracy and stability of the application. These simulations require algorithms that minimise the energy footprint along with the time required to produce a solution, maintain the physically required level of accuracy, are numerically stable, and are resilient in case of hardware failure. The European Centre for Medium-Range Weather Forecasts (ECMWF) led the ESCAPE (Energy-efficient Scalable Algorithms for Weather Prediction at Exascale) project, funded by Horizon 2020 (H2020) under the FET-HPC (Future and Emerging Technologies in High Performance Computing) initiative. The goal of ESCAPE was to develop a sustainable strategy to evolve weather and climate prediction models to next-generation computing technologies. The project partners incorporate the expertise of leading European regional forecasting consortia, university research, experienced high-performance computing centres, and hardware vendors. This paper presents an overview of the ESCAPE strategy: (i) identify domain-specific key algorithmic motifs in weather prediction and climate models (which we term Weather & Climate Dwarfs), (ii) categorise them in terms of computational and communication patterns while (iii) adapting them to different hardware architectures with alternative programming models, (iv) analyse the challenges in optimising, and (v) find alternative algorithms for the same scheme. The participating weather prediction models are the following: IFS (Integrated Forecasting System); ALARO, a combination of AROME (Application de la Recherche a l'Operationnel a Meso-Echelle) and ALADIN (Aire Limitee Adaptation Dynamique Developpement International); and COSMO-EULAG, a combination of COSMO (Consortium for Small-scale Modeling) and EULAG (Eulerian and semi-Lagrangian fluid solver). For many of the weather and climate dwarfs ESCAPE provides prototype implementations on different hardware architectures (mainly Intel Skylake CPUs, NVIDIA GPUs, Intel Xeon Phi, Optalysys optical processor) with different programming models. The spectral transform dwarf represents a detailed example of the co-design cycle of an ESCAPE dwarf. The dwarf concept has proven to be extremely useful for the rapid prototyping of alternative algorithms and their interaction with hardware; e.g. the use of a domain-specific language (DSL). Manual adaptations have led to substantial accelerations of key algorithms in numerical weather prediction (NWP) but are not a general recipe for the performance portability of complex NWP models. Existing DSLs are found to require further evolution but are promising tools for achieving the latter. Measurements of energy and time to solution suggest that a future focus needs to be on exploiting the simultaneous use of all available resources in hybrid CPU-GPU arrangements

Evaluation of GPU Acceleration for WRF–SFIRE

WRF–SFIRE is an open source, atmospheric–wildfire model that couples the WRF model with the level set fire spread model to simulate wildfires in real time. This model has many applications and more scientific questions can be asked and answered if the model can be run faster. Nvidia has put a lot of effort into easing the barrier of entry for accelerating applications with their tools to be run on GPUs. Various physical simulations have been successfully ported to utilize GPUs and have benefited from the speed increase. In this research, we take a look at WRF-SFIRE and try to use the Nvida tools to accelerate portions of code. We were successful in offloading work to the GPU. However, the WRF-SFIRE codebase contains too many data dependencies, deeply nested function calls and I/O to effectively utilize the GPU’s resources. We look at specific examples and try to run them on a Titan V GPU. In the end, the compute intensive portions of WRF-SFIRE need to be rewritten to avoid data dependencies in order to leverage GPUs to improve the execution time

Comparison of Parallelisation Approaches, Languages, and Compilers for Unstructured Mesh Algorithms on GPUs

Efficiently exploiting GPUs is increasingly essential in scientific computing, as many current and upcoming supercomputers are built using them. To facilitate this, there are a number of programming approaches, such as CUDA, OpenACC and OpenMP 4, supporting different programming languages (mainly C/C++ and Fortran). There are also several compiler suites (clang, nvcc, PGI, XL) each supporting different combinations of languages. In this study, we take a detailed look at some of the currently available options, and carry out a comprehensive analysis and comparison using computational loops and applications from the domain of unstructured mesh computations. Beyond runtimes and performance metrics (GB/s), we explore factors that influence performance such as register counts, occupancy, usage of different memory types, instruction counts, and algorithmic differences. Results of this work show how clang's CUDA compiler frequently outperform NVIDIA's nvcc, performance issues with directive-based approaches on complex kernels, and OpenMP 4 support maturing in clang and XL; currently around 10% slower than CUDA

Progress towards accelerating the unified model on hybrid multi-core systems

he cloud microphysics scheme, CASIM, and the radiation scheme, SOCRATES, are two computationally intensive parts within the Met Office’s Unified Model (UM). This study enables CASIM and SOCRATES to use accelerated multi-core systems for optimal com- putational performance of the UM. Using profiling to guide our efforts, we refactored the code for optimal threading and kernel arrangement and implemented OpenACC directives manually or through the CLAW source-to-source translator. Initial porting re- sults achieved 10.02x and 9.25x speedup in CASIM and SOCRATES respectively on 1 GPU compared with 1 CPU core. A granular per- formance analysis of the strategy and bottlenecks are discussed. These improvements will enable UM to run on heterogeneous com- puters and a path forward for further improvements is provided

HOMMEXX 1.0: a performance-portable atmospheric dynamical core for the Energy Exascale Earth System Model

We present an architecture-portable and performant implementation of the atmospheric dynamical core (High-Order Methods Modeling Environment, HOMME) of the Energy Exascale Earth System Model (E3SM). The original Fortran implementation is highly performant and scalable on conventional architectures using the Message Passing Interface (MPI) and Open MultiProcessor (OpenMP) programming models. We rewrite the model in C++ and use the Kokkos library to express on-node parallelism in a largely architecture-independent implementation. Kokkos provides an abstraction of a compute node or device, layout-polymorphic multidimensional arrays, and parallel execution constructs. The new implementation achieves the same or better performance on conventional multicore computers and is portable to GPUs. We present performance data for the original and new implementations on multiple platforms, on up to 5400 compute nodes, and study several aspects of the single- and multi-node performance characteristics of the new implementation on conventional CPU (e.g., Intel Xeon), many core CPU (e.g., Intel Xeon Phi Knights Landing), and Nvidia V100 GPU.</p