High performance LINPACK (HPL) remains the primary benchmark for evaluating supercomputing performance. It includes many parts with substantial internal complexity, and its performance is affected by a large number of parameters that interact in ways that are difficult to predict on large-scale heterogeneous supercomputer systems. We present a comprehensive performance analysis of HPL on Frontier, the world’s first exascale supercomputer, which achieved HPL performance of 1.35 exaflops. Through empirical parameter tuning, detailed modeling, and comparative evaluation, we uncover critical performance insights, share lessons learned, and outline best practices for effective parameter tuning on exascale systems. We introduce and evaluate two novel PDFACT strategies: a dedicated-thread (DT) variant and a GPU-based variant (GPUPDFACT) implementation using HIP cooperative groups, demonstrating that GPU-based factorization outperforms conventional CPU-based PDFACT on Frontier’s architecture. Our findings establish key performance factors for HPL on exascale systems and offer valuable guidance for future high-performance computing and benchmarking efforts.

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.

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.

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.

Nek5000/RS, a highly-performant open-source spectral element code, has recently achieved an unprecedented milestone in the simulation of nuclear reactors: the first full core computational fluid dynamics simulations of reactor cores, including pebble beds with 352,625 pebbles and 98M spectral elements (51 billion gridpoints), advanced in less than 0.25 seconds per Navier-Stokes timestep. The authors present performance and optimization considerations necessary to achieve this milestone when running on all of Summit. These optimizations led to a fourfold reduction in time-to-solution, making it possible to perform high-fidelity simulations of a single flow-through time in less than six hours for a full reactor core under prototypical conditions.