Related papers: Performance portable ice-sheet modeling with MALI
Reactive molecular dynamics simulations are computationally demanding. Reaching spatial and temporal scales where interesting scientific phenomena can be observed requires efficient and scalable implementations on modern hardware. In this…
Unstructured-mesh ocean models are increasingly used for coastal applications due to their ability to represent complex geometries and apply local grid refinement where needed. However, their broader use has been hindered by their high…
A modern graphics processing unit (GPU) is able to perform massively parallel scientific computations at low cost. We extend our implementation of the checkerboard algorithm for the two dimensional Ising model [T. Preis et al., J. Comp.…
Tremendous success of machine learning (ML) and the unabated growth in ML model complexity motivated many ML-specific designs in both CPU and accelerator architectures to speed up the model inference. While these architectures are diverse,…
The increasing power densities and intricate heat dissipation paths in advanced 2.5D/3D chiplet systems necessitate thermal modeling frameworks that deliver detailed thermal maps with high computational efficiency. Traditional compact…
Numerical N-body simulations are commonly used to explore stability regions around exoplanets, offering insights into the possible existence of satellites and ring systems. This study aims to utilize Machine Learning (ML) techniques to…
In the push for exascale computing, energy efficiency is of utmost concern. System architectures often adopt accelerators to hasten application execution at the cost of power. The Intel Xeon Phi co-processor is unique accelerator that…
The field of plasma physics heavily relies on simulations to model various phenomena, such as instabilities, turbulence, and nonlinear behaviors that would otherwise be difficult to study from a purely theoretical approach. Simulations are…
The performance of biomolecular molecular dynamics simulations has steadily increased on modern high performance computing resources but acceleration of the analysis of the output trajectories has lagged behind so that analyzing simulations…
This paper describes LFRic: the new weather and climate modelling system being developed by the UK Met Office to replace the existing Unified Model in preparation for exascale computing in the 2020s. LFRic uses the GungHo dynamical core and…
Machine learning inference pipelines commonly encountered in data science and industries often require real-time responsiveness due to their user-facing nature. However, meeting this requirement becomes particularly challenging when certain…
Accurate performance estimation of future many-node machines is challenging because it requires detailed simulation models of both node and network. However, simulating the full system in detail is unfeasible in terms of compute and memory…
We propose Hierarchical Optimization Time Integration (HOT) for efficient implicit time-stepping of the Material Point Method (MPM) irrespective of simulated materials and conditions. HOT is an MPM-specialized hierarchical optimization…
The rapid advancement of Large Language Models (LLMs) necessitates a deep understanding of their fundamental performance limits. This paper investigates the limits of LLM inference, focusing on hardware-imposed bottlenecks in…
A simple method for improving cache efficiency of serial and parallel explicit finite procedure with application to casting solidification simulation over three-dimensional complex geometries is presented. The method is based on division of…
Climate simulations, at all grid resolutions, rely on approximations that encapsulate the forcing due to unresolved processes on resolved variables, known as parameterizations. Parameterizations often lead to inaccuracies in climate models,…
Large language models (LLMs) show promise for automated code optimization. However, without performance context, they struggle to produce correct and effective code transformations. Existing performance tools can identify bottlenecks but…
Multichannel Analysis of Surface Waves (MASW) is a technique frequently used in geotechnical engineering and engineering geophysics to infer layered models of seismic shear wave velocities in the top tens to hundreds of meters of the…
Simulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained models is extremely challenging due to the need to solve the Poisson equation at every simulation timestep. Recently, a molecular dynamics (MD) method…
Linear solvers for large and sparse systems are a key element of scientific applications, and their efficient implementation is necessary to harness the computational power of current computers. Algebraic MultiGrid (AMG) preconditioners are…