Noel Chalmers

We present a massively parallel and scalable nodal discontinuous Galerkin finite element method (DGFEM) solver for the time-domain linearized acoustic wave equations. The solver is implemented using the libParanumal finite element framework with extensions to handle curvilinear geometries and frequency dependent boundary conditions of relevance in practical room acoustics. The implementation is benchmarked on heterogeneous multi-device many-core computing architectures, and high performance and scalability are demonstrated for a problem that is considered expensive to solve in practical applications. In a benchmark study, scaling tests show that multi-GPU support gives the ability to simulate large rooms, over a broad frequency range, with realistic boundary conditions, both in terms of computing time and memory requirements. Furthermore, numerical simulations on two non-trivial geometries are presented, a star-shaped room with a dome and an auditorium. Overall, this shows the viability of using a multi-device accelerated DGFEM solver to enable realistic large-scale wave-based room acoustics simulations.

ENRICO is a coupled application developed under the U.S. Department of Energy's Exascale Computing Project (ECP) targeting the modeling of advanced nuclear reactors. It couples radiation transport with heat and fluid simulation, including the high-fidelity, highresolution Monte-Carlo code Shift and the Computational fluid dynamics code NekRS. NekRS is a highly-performant open-source code for simulation of incompressible and low-Mach fluid flow, heat transfer, and combustion with a particular focus on turbulent flows in complex domains. It is based on rapidly convergent high-order spectral element discretizations that feature minimal numerical dissipation and dispersion. State-of-the-art multilevel preconditioners, efficient high-order time-splitting methods, and runtime-adaptive communication strategies are built on a fast OCCA-based kernel library, libParanumal, to provide scalability and portability across the spectrum of current and future high-performance computing platforms. On Frontier, Nek5000/RS has recently achieved an unprecedented milestone in breaching over 1 billion spectral elements and 350 billion degrees of freedom. Shift has demonstrated the capability to transport upwards of 1 billion particles per second in full core nuclear reactor simulations featuring complete temperature-dependent, continuous-energy physics on Frontier. Shift achieved a weak-scaling efficiency of 97.8% on 8192 nodes of Frontier and calculated 6 reactions in 214,896 fuel pin regions below 1% statistical error yielding first-of-a-kind resolution for a Monte Carlo transport application.

We detail the performance optimizations made in rocHPL, AMD's open-source implementation of the High-Performance Linpack (HPL) benchmark targeting accelerated node architectures designed for exascale systems such as the Frontier supercomputer. The implementation leverages the high-throughput GPU accelerators on the node via highly optimized linear algebra libraries, as well as the entire CPU socket to perform latency-sensitive factorization phases. We detail novel performance improvements such as a multithreaded approach to computing the panel factorization phase on the CPU, time-sharing of CPU cores between processes on the node, as well as several optimizations which hide MPI communication. We present some performance results of this implementation of the HPL benchmark on a single node of the Frontier early access cluster at Oak Ridge National Laboratory, as well as scaling to multiple nodes.

The advent of Exascale computing invites an assessment of existing best practices for developing application readiness on the world's largest supercomputers. This work details observations from the last four years in preparing scientific applications to run on the Oak Ridge Leadership Computing Facility's (OLCF) Frontier system. This paper addresses a range of topics in software including programmability, tuning, and portability considerations that are key to moving applications from existing systems to future installations. A set of representative workloads provides case studies for general system and software testing. We evaluate the use of early access systems for development across several generations of hardware. Finally, we discuss how best practices were identified and disseminated to the community through a wide range of activities including user-guides and trainings. We conclude with recommendations for ensuring application readiness on future leadership computing systems.

The pace of advancement of the top-end supercomputers historically followed an exponential curve similar to (and driven in part by) Moore's Law. Shortly after hitting the petaflop mark, the community started looking ahead to the next milestone: Exascale. However, many obstacles were already looming on the horizon, such as the slowing of Moore's Law, and others like the end of Dennard Scaling had already arrived. Anticipating significant challenges for the overall high-performance computing (HPC) community to achieve the next 1000x improvement, the U.S. Department of Energy (DOE) launched the Exascale Computing Program to enable and accelerate fundamental research across the many technologies needed to achieve exascale computing. AMD had the opportunity to contribute to the so-called "*Forward" programs from the DOE, which were a series of public-private partnerships focused on research and co-design activities covering compute architectures, interconnects, memory systems, chiplets and packaging, software stacks, applications, and more. Some of the research from these programs can now be found in the world's first exascale supercomputer, some were a little ahead of their time and may have an impact in the coming years, and others simply did not pan out. In this paper, we provide a retrospective of AMD's nearly decade-long research journey covering how we tried to predict the architecture of a supercomputer a decade into the future, what we got right, what we got wrong, and some of the insights and learnings that we discovered along the way.

We present hipBone, an open-source performance-portable proxy application for the Nek5000 (and NekRS) computational fluid dynamics applications. HipBone is a fully GPU-accelerated C++ implementation of the original NekBone CPU proxy application with several novel algorithmic and implementation improvements which optimize its performance on modern fine-grain parallel GPU accelerators. Our optimizations include a conversion to store the degrees of freedom of the problem in assembled form in order to reduce the amount of data moved during the main iteration and a portable implementation of the main Poisson operator kernel. We demonstrate near-roofline performance of the operator kernel on three different modern GPU accelerators from two different vendors. We present a novel algorithm for splitting the application of the Poisson operator on GPUs which aggressively hides MPI communication required for both halo exchange and assembly. Our implementation of nearest-neighbor MPI communication then leverages several different routing algorithms and GPU-Direct RDMA capabilities, when available, which improves scalability of the benchmark. We demonstrate the performance of hipBone on three different clusters housed at Oak Ridge National Laboratory, namely, the Summit supercomputer and the Frontier early-access clusters, Spock and Crusher. Our tests demonstrate both portability across different clusters and very good scaling efficiency, especially on large problems.