Related papers: Portable GPU implementation of the WP-CCC ion-atom…
We have developed GPU versions for two major high-performance-computing (HPC) applications originating from two different scientific domains. GENE is a plasma microturbulence code which is employed for simulations of nuclear fusion plasmas.…
The Particle-In-Cell (PIC) method is a computational technique widely used in plasma physics to model plasmas at the kinetic level. In this work, we present our effort to prepare the semi-implicit energy-conserving PIC code ECsim for…
We characterize the GPU energy usage of two widely adopted exascale-ready applications representing two classes of particle and mesh solvers: (i) QMCPACK, a quantum Monte Carlo package, and (ii) AMReXCastro, an adaptive mesh astrophysical…
Computing platforms equipped with accelerators like GPUs have proven to provide great computational power. However, exploiting such platforms for existing scientific applications is not a trivial task. Current GPU programming frameworks…
Mesoscopic simulations of hydrocarbon flow in source shales are challenging, in part due to the heterogeneous shale pores with sizes ranging from a few nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid and…
The simulation of ion-atom collisions remains a formidable challenge due to the complex interplay between electronic and nuclear degrees of freedom. We present a hybrid quantum-classical computing framework for simulating time-dependent…
We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores…
With the use of belief propagation (BP) decoding algorithm, low-density parity-check (LDPC) codes can achieve near-Shannon limit performance. In order to evaluate the error performance of LDPC codes, simulators running on CPUs are commonly…
Particle-in-cell (PIC) simulations with Monte-Carlo collisions are used in plasma science to explore a variety of kinetic effects. One major problem is the long run-time of such simulations. Even on modern computer systems, PIC codes take a…
The Lagrangian Particles (LP) module of the PLUTO code offers a powerful simulation tool to predict the non-thermal emission produced by shock accelerated particles in large-scale relativistic magnetized astrophysics flows. The LPs…
Quasiparticle self-consistent many-body perturbation theory (MBPT) methods that update both eigenvalues and eigenvectors can calculate the excited-state properties of molecular systems without depending on the choice of starting points.…
The independent atom model - pixel counting method (IAM-PCM) for the description of ion-molecule collisions is reviewed. The method was introduced (in 2016) to improve on the simple additivity rule according to which scattering cross…
The Gyrokinetic Toroidal Code at Princeton (GTC-P) is a highly scalable and portable particle-in-cell (PIC) code. It solves the 5D Vlasov-Poisson equation featuring efficient utilization of modern parallel computer architectures at the…
Nonlinear Model Predictive Control (NMPC) is a state-of-the-art approach for locomotion and manipulation which leverages trajectory optimization at each control step. While the performance of this approach is computationally bounded,…
In this paper, we demonstrate how GPU-accelerated BEM routines can be used in a simple black-box fashion to accelerate fast boundary element formulations based on Hierarchical Matrices (H-Matrices) with ACA (Adaptive Cross Approximation).…
This paper focuses on the parallel implementation of a direct $N$-body method~(particle-particle algorithm) and the application of multiple GPUs for galactic dynamics simulations. Application of a hybrid OpenMP-CUDA technology is considered…
Motion planning is a fundamental problem in robotics that involves generating feasible trajectories for a robot to follow. Recent advances in parallel computing, particularly through CPU and GPU architectures, have significantly reduced…
Computational fluid dynamics and fluid-structure interaction simulations involving moving and deforming bodies is extremely hard. In this work, we present a graphical processing unit (GPU) optimized implementation of the sharp-interface…
We accelerated an ab-initio molecular QMC calculation by using GPGPU. Only the bottle-neck part of the calculation is replaced by CUDA subroutine and performed on GPU. The performance on a (single core CPU + GPU) is compared with that on a…
Classical molecular dynamics (MD) simulations are important tools in life and material sciences since they allow studying chemical and biological processes in detail. However, the inherent scalability problem of particle-particle…