Related papers: Multi-GPU thermal lattice Boltzmann simulations us…
There exists an increasing interest for using immersed boundary methods (IBMs) (Peskin 2000) to model moving objects in computational fluid dynamics. Indeed, this approach is particularly efficient, because the fluid mesh does not require…
Traffic propagation simulation is crucial for urban planning, enabling congestion analysis, travel time estimation, and route optimization. Traditional micro-simulation frameworks are limited to main roads due to the complexity of urban…
With multi-core processors a ubiquitous building block of modern supercomputers, it is now past time to enable applications to embrace these developments in processor design. To achieve exascale performance, applications will need ways of…
Modern GPU systems are constantly evolving to meet the needs of computing-intensive applications in scientific and machine learning domains. However, there is typically a gap between the hardware capacity and the achievable application…
We present $\texttt{SIMULATeQCD}$, HotQCD's software for performing lattice QCD calculations on GPUs. Started in late 2017 and intended as a full replacement of the previous single GPU lattice QCD code used by the HotQCD collaboration, our…
A real-world example of adding OpenACC to a legacy MPI FORTRAN Preconditioned Conjugate Gradient code is described, and timing results for multi-node multi-GPU runs are shown. The code is used to obtain three-dimensional spherical solutions…
A finite-difference Micromagnetic solver is presented utilizing the C++ Accelerated Massive Parallelism (C++ AMP). The high speed performance of a single Graphics Processing Unit (GPU) is demonstrated compared to a typical CPU-based solver.…
We present the GPU calculation with the common unified device architecture (CUDA) for the Wolff single-cluster algorithm of the Ising model. Proposing an algorithm for a quasi-block synchronization, we realize the Wolff single-cluster Monte…
We employ the Partially Saturated Cells Method (PSM) to model the interaction between the fluid flow and solid moving objects as an extension to the conventional lattice Boltzmann method. We introduce an efficient and accurate method for…
Modern graphics processing units (GPUs) provide impressive computing resources, which can be accessed conveniently through the CUDA programming interface. We describe how GPUs can be used to considerably speed up molecular dynamics (MD)…
A hybrid MPI+OpenMP strategy for parallelizing multiple precision Taylor series method is proposed, realized and tested. To parallelize the algorithm we combine MPI and OpenMP parallel technologies together with GMP library (GNU miltiple…
GPU systems are increasingly powering modern datacenters at scale. Despite being highly performant, GPU systems can exhibit performance variation at the node and cluster levels. Such performance variation can significantly impact both…
Simulations of nematohydrodynamics on graphics processing units (GPUs) are typically performed using double precision, which ensures accuracy but significantly increases computational cost. However, consumer-grade GPUs are optimized for…
The numerical solution of the Kadanoff-Baym nonlinear integro-differential equations, which yields the non-equilibrium Green's functions (NEGFs) of quantum many-body systems, poses significant computational challenges due to its high…
We study the first order phase transition of the fixed-connectivity triangulated surface model using the Parallel Tempering Monte Carlo (PTMC) technique on relatively large lattices. From the PTMC results, we find that the transition is…
Molecular dynamics (MD) is an important research tool extensively applied in materials science. Running MD on a graphics processing unit (GPU) is an attractive new approach for accelerating MD simulations. Currently, GPU implementations of…
We present a data-parallel software package for fitting Gaussian Approximation Potentials (GAPs) on multiple nodes using the ScaLAPACK library with MPI and OpenMP. Until now the maximum training set size for GAP models has been limited by…
Markov Chain Monte Carlo methods are algorithms used to sample probability distributions, commonly used to sample the Boltzmann distribution of physical/chemical models (e.g., protein folding, Ising model, etc.). This allows us to study…
Modeling liquid-vapor phase change using the lattice Boltzmann (LB) method has attracted significant attention in recent years. In this paper, we propose an improved three-dimensional (3D) thermal multiphase LB model for simulating…
A GPU-accelerated version of the lattice Boltzmann method for efficient simulation of soft materials is introduced. Unlike standard approaches, this method reconstructs the distribution functions from available hydrodynamic variables…