Related papers: K-Athena: a performance portable structured grid f…
We describe a strategy for code modernisation of Gadget, a widely used community code for computational astrophysics. The focus of this work is on node-level performance optimisation, targeting current multi/many-core IntelR architectures.…
High fidelity Computational Fluid Dynamics simulations are generally associated with large computing requirements, which are progressively acute with each new generation of supercomputers. However, significant research efforts are required…
We present an extension of the massively parallel, GPU native, astrophysical hydrodynamics code Cholla to magnetohydrodynamics (MHD). Cholla solves the ideal MHD equations in their Eulerian form on a static Cartesian mesh utilizing the Van…
Prefetching and off-chip prediction are two techniques proposed to hide long memory access latencies in high-performance processors. In this work, we demonstrate that: (1) prefetching and off-chip prediction often provide complementary…
The first generation of exascale systems will include a variety of machine architectures, featuring GPUs from multiple vendors. As a result, many developers are interested in adopting portable programming models to avoid maintaining…
Synthetic biology is the engineering of cellular networks. It combines principles of engineering and the knowledge of biological networks to program the behavior of cells. Computational modeling techniques in conjunction with molecular…
We present the numerical relativity module within AthenaK, an open source performance-portable astrophysics code designed for exascale computing applications. This module employs the Z4c formulation to solve the Einstein equations. We…
Dynamic and adaptive mesh refinement is pivotal in high-resolution, multi-physics, multi-model simulations, necessitating precise physics resolution in localized areas across expansive domains. Today's supercomputers' extreme heterogeneity…
We describe the implementation of sophisticated numerical techniques for general-relativistic magnetohydrodynamics simulations in the Athena++ code framework. Improvements over many existing codes include the use of advanced Riemann solvers…
In this work, we first characterize the hybrid execution patterns of GCNs on Intel Xeon CPU. Guided by the characterization, we design a GCN accelerator, HyGCN, using a hybrid architecture to efficiently perform GCNs. Specifically, first,…
Leading HPC systems achieve their status through use of highly parallel devices such as NVIDIA GPUs or Intel Xeon Phi many-core CPUs. The concept of performance portability across such architectures, as well as traditional CPUs, is vital…
With the appearance of the heterogeneous platform OpenPower,many-core accelerator devices have been coupled with Power host processors for the first time. Towards utilizing their full potential, it is worth investigating performance…
Current climate change has posed a grand challenge in the field of numerical modeling due to its complex, multiscale dynamics. In hydrological modeling, the increasing demand for high-resolution, real-time simulations has led to the…
The high-performance computing (HPC) landscape is undergoing rapid transformation, with an increasing emphasis on energy-efficient and heterogeneous computing environments. This comprehensive study extends our previous research on SYCL's…
We explore the performance and portability of the high-level programming models: the LLVM-based Julia and Python/Numba, and Kokkos on high-performance computing (HPC) nodes: AMD Epyc CPUs and MI250X graphical processing units (GPUs) on…
We introduce an extension to the AthenaK code for general-relativistic magnetohydrodynamics (GRMHD) in dynamical spacetimes using a 3+1 conservative Eulerian formulation. Like the fixed-spacetime GRMHD solver, we use standard finite-volume…
Since its inception in 1995, LAMMPS has grown to be a world-class molecular dynamics code, with thousands of users, over one million lines of code, and multi-scale simulation capabilities. We discuss how LAMMPS has adapted to the modern…
Simulations based on particle methods, such as Smoothed Particle Hydrodynamics (SPH), are known to be computationally demanding. While such methods have for long been executed in parallel on multi-core CPUs, in recent years the increasing…
We present Synkhronos, an extension to Theano for multi-GPU computations leveraging data parallelism. Our framework provides automated execution and synchronization across devices, allowing users to continue to write serial programs without…
The Kokkos based library Cabana, which has been developed in the Co-design Center for Particle Applications (CoPA), is used for the implementation of Multi-Particle Collision Dynamics (MPCD), a particle-based description of hydrodynamic…