Related papers: K-Athena: a performance portable structured grid f…

Graph Neural Networks (GNNs) have shown success in many real-world applications that involve graph-structured data. Most of the existing single-node GNN training systems are capable of training medium-scale graphs with tens of millions of…

We present pkdgrav3, a high-performance, fully parallel tree-SPH code designed for large-scale hydrodynamic simulations including self-gravity. Building upon the long development history of pkdgrav, the code combines an efficient…

The Knights Landing (KNL) is the codename for the latest generation of Intel processors based on Intel Many Integrated Core (MIC) architecture. It relies on massive thread and data parallelism, and fast on-chip memory. This processor…

We discuss the design and implementation of HYDRA_OMP a parallel implementation of the Smoothed Particle Hydrodynamics-Adaptive P3M (SPH-AP3M) code HYDRA. The code is designed primarily for conducting cosmological hydrodynamic simulations…

Improving single-thread performance remains a critical challenge in modern processor design, as conventional approaches such as deeper speculation, wider pipelines, and complex out-of-order execution face diminishing returns. This work…

Parallel p-bit Ising machines are a promising platform for fast and energy-efficient combinatorial optimization, but their scalability depends on update synchronization, hardware delay, and architectural cost. In this work, we establish a…

Scientific applications continue to rely on legacy Fortran codebases originally developed for homogeneous, CPU-based systems. As High-Performance Computing (HPC) shifts toward heterogeneous GPU-accelerated architectures, many accelerators…

We present the extension of the Tinker-HP package (Lagard\`ere et al., Chem. Sci., 2018,9, 956-972) to the use of Graphics Processing Unit (GPU) cards to accelerate molecular dynamics simulations using polarizable many-body force fields.…

The Athena Startup Kit (ASK), is an interactive front-end to the Atlas software framework (ATHENA). Written in python, a very effective "glue" language, it is build on top of the, in principle unrelated, code repository, build,…

Exascale High Performance Computing (HPC) represents a tremendous opportunity to push the boundaries of Computational Fluid Dynamics (CFD), but despite the consolidated trend towards the use of Graphics Processing Units (GPUs),…

Monte Carlo / Dynamic Code (MC/DC) is a portable Monte Carlo neutron transport package for rapid numerical methods exploration in heterogeneous and HPC contexts, developed under the auspices of the Center for Exascale Monte Carlo Neutron…

Online analytical processing of queries on datasets in the many-terabyte range is only possible with costly distributed computing systems. To decrease the cost and increase the throughput, systems can leverage accelerators such as GPUs,…

In this paper, we address some of the key limitations to realizing a generic heterogeneous parallel programming model for quantum-classical heterogeneous platforms. We discuss our experience in enabling user-level multi-threading in QCOR as…

GAMER, a parallel Graphic-processing-unit-accelerated Adaptive-MEsh-Refinement hydrodynamic code, has been extended to support magnetohydrodynamics (MHD) with both the corner-transport-upwind (CTU) and MUSCL-Hancock schemes and the…

We describe the first parallel implementation of an adaptive particle-particle, particle-mesh code with smoothed particle hydrodynamics. Parallelisation of the serial code, ``Hydra'', is achieved by using CRAFT, a Cray proprietary language…

Energy-efficiency has become a major challenge in modern computer systems. To address this challenge, candidate systems increasingly integrate heterogeneous cores in order to satisfy diverse computation requirements by selecting cores with…

State of art DL models are growing in size and complexity, with many modern models also increasing in heterogeneity of behavior. GPUs are still the dominant platform for DL applications, relying on a bulk-synchronous execution model which…

We present the extension of the differentiable hydrodynamics code, diffhydro, enabling scalable PDE-constrained inference and integrated hybrid physics-ML models for a wide range of astrophysical applications. New physics additions include…

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…

This work discusses the performance of a modern numerical scheme for fluid dynamical problems on modern high-performance computing architectures. Our code implements a spatial nodal discontinuous Galerkin scheme that we test up to an order…