Related papers: Towards Exascale Computing for Astrophysical Simul…

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…

We report on scaling and timing tests of the SIESTA electronic structure code for ab initio molecular dynamics simulations using density-functional theory. The tests are performed on six large-scale supercomputers belonging to the PRACE…

Large language models (LLMs) are becoming increasingly capable at small parameter scales. At the same time, conventional cloud-centric deployment introduces challenges around data privacy, latency, and cost that are acute in operational…

At large scales, quantum systems may become advantageous over their classical counterparts at performing certain tasks. Developing tools to analyse these systems at the relevant scales, in a manner consistent with quantum mechanics, is…

The Monte Carlo method is a powerful technique for computing thermodynamic magnetic states of otherwise unsolvable spin Hamiltonians, but the method becomes computationally prohibitive with increasing number of spins and the simulation of…

Large language models show promise for automated CUDA programming, however even the strongest coding models (e.g., Claude-Opus-4.6) may still fall short of expert-level, architecture-aware optimization. We introduce CUDAHercules, a…

We present the multi-GPU realization of the StePS (Stereographically Projected Cosmological Simulations) algorithm with MPI-OpenMP-CUDA hybrid parallelization and nearly ideal scale-out to multiple compute nodes. Our new zoom-in…

We accelerated an {\it ab-initio} QMC electronic structure calculation by using GPGPU. The bottleneck of the calculation for extended solid systems is replaced by CUDA-GPGPU subroutine kernels which build up spline basis set expansions of…

A heterogeneous CPU-GPU node is getting popular in HPC clusters. We need to rethink algorithms and optimization techniques for such system depending on the relative performance of CPU vs. GPU. In this paper, we report a performance…

In recent years, the Graphics Processing Unit (GPU) has emerged as a low-cost alternative for high performance computing, enabling impressive speed-ups for a range of scientific computing applications. Early adopters in astronomy are…

The next generation of wide-area sky surveys offer the power to place extremely precise constraints on cosmological parameters and to test the source of cosmic acceleration. These observational programs will employ multiple techniques based…

Data encoding is a fundamental step in emerging computing paradigms, particularly in stochastic computing (SC) and hyperdimensional computing (HDC), where it plays a crucial role in determining the overall system performance and hardware…

The application of high end computing to astrophysical problems, mainly in the galactic environment, is under development since many years at the Dep. of Physics of Sapienza Univ. of Roma. The main scientific topic is the physics of self…

Future computing systems, from handhelds to supercomputers, will undoubtedly be more parallel and heterogeneous than todays systems to provide more performance and energy efficiency. Thus, GPUs are increasingly being used to accelerate…

As part of the Exascale Computing Project (ECP), a recent focus of development efforts for the SUite of Nonlinear and DIfferential/ALgebraic equation Solvers (SUNDIALS) has been to enable GPU-accelerated time integration in scientific…

Lattice spin models are useful for studying critical phenomena and allow the extraction of equilibrium and dynamical properties. Simulations of such systems are usually based on Monte Carlo (MC) techniques, and the main difficulty is often…

In this paper I will outline some of the aspects and problems of modern celestial mechanics and stellar dynamics, in the context of the quickly growing computing facilities. I will point the attention on the great advantages in using, for…

This paper proposes a fast system technology co-optimization (STCO) framework that optimizes power, performance, and area (PPA) for next-generation IC design, addressing the challenges and opportunities presented by novel materials and…

We present a new Eulerian code able to follow the evolution of large-scale structures in the Universe in the weakly nonlinear regime. We compare test results with a N-body code and analytical results.

The ISO C++17 standard introduces \emph{parallel algorithms}, a parallel programming model promising portability across a wide variety of parallel hardware including multi-core CPUs, GPUs, and FPGAs. Since 2019, the NVIDIA HPC SDK compiler…