Related papers: Accelerating cosmological simulations on GPUs: a p…
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…
Structural parameters are normally extracted from observed galaxies by fitting analytic light profiles to the observations. Obtaining accurate fits to high-resolution images is a computationally expensive task, requiring many model…
We present preliminary results of a GPU porting of all main Gadget3 modules (gravity computation, SPH density computation, SPH hydrodynamic force, and thermal conduction) using OpenACC directives. Here we assign one GPU to each MPI rank and…
Graphics Processing Units (GPUs) are high performance co-processors originally intended to improve the use and quality of computer graphics applications. Once, researchers and practitioners noticed the potential of using GPU for general…
Extreme-scale cosmological simulations have been widely used by today's researchers and scientists on leadership supercomputers. A new generation of error-bounded lossy compressors has been used in workflows to reduce storage requirements…
We present a GPU-portable implementation of a real-space density functional theory (DFT) code ``QUMASUN'' and benchmark it on the new Plasma Simulator featuring Intel Xeon 6980P CPUs, and AMD MI300A GPUs. Additional tests were performed on…
Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…
Physics-based simulation has been actively employed in generating offline visual effects in the film and animation industry. However, the computations required for high-quality scenarios are generally immense, deterring its adoption in…
Molecular dynamics (MD) simulation is a powerful computational tool to study the behavior of macromolecular systems. But many simulations of this field are limited in spatial or temporal scale by the available computational resource. In…
Particle transport simulations are a cornerstone of high-energy physics (HEP), constituting a substantial part of the computing workload performed in HEP. To boost the simulation throughput and energy efficiency, GPUs as accelerators have…
We propose a CPU-GPU heterogeneous computing method for solving time-evolution partial differential equation problems many times with guaranteed accuracy, in short time-to-solution and low energy-to-solution. On a single-GH200 node, the…
The MuST package is a computational software designed for ab initio electronic structure calculations for solids. The Locally Self-consistent Multiple Scattering (LSMS) method implemented in MuST allows to perform the electronic structure…
SISSO (sure-independence screening and sparsifying operator) is an artificial intelligence (AI) method based on symbolic regression and compressed sensing widely used in materials science research. SISSO++ is its C++ implementation that…
General purpose computing on graphics processing units (GPGPU) is dramatically changing the landscape of high performance computing in astronomy. In this paper, we identify and investigate several key decision areas, with a goal of…
It is shown micromagnetic and atomistic spin dynamics simulations can use multiple GPUs in order to reduce computation time, but also to allow for a larger simulation size than is possible on a single GPU. Whilst interactions which depend…
Robust trajectory optimization enables autonomous systems to operate safely under uncertainty by computing control policies that satisfy the constraints for all bounded disturbances. However, these problems often lead to large Second Order…
Numerical modeling of nematic liquid crystals using the tensorial Landau-de Gennes (LdG) theory provides detailed insights into the structure and energetics of the enormous variety of possible topological defect configurations that may…
We introduce a simulator of charge transport in fully-depleted, thick CCDs that include Coulomb repulsion between carriers. The calculation of this long-range interaction is highly intensive computationally, and only a few thousands of…
In cosmological $N$-body simulations, the representation of dark matter as discrete "macroparticles" suppresses the growth of structure, such that simulations no longer reproduce linear theory on small scales near $k_{\rm Nyquist}$. Marcos…
We explore how the big-three computing paradigms -- symmetric multi-processor (SMC), graphical processing units (GPUs), and cluster computing -- can together be brought to bare on large-data Gaussian processes (GP) regression problems via a…