Related papers: PyPOD-GP: Using PyTorch for Accelerated Chip-Level…

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…

This work discusses the performance of a modern numerical scheme for fluid dynamical problems on modern high-performance computing architectures. Our code implements a spatial nodal discontinuous Galerkin scheme that we test up to an order…

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…

Coarse Grid Projection (CGP) methodology is used to accelerate the computations of sets of decoupled nonlinear evolutionary and linear static equations. In CGP, the linear equations are solved on a coarsened mesh compared to the nonlinear…

Graphics Processing Units (GPUs) are becoming popular accelerators in modern High-Performance Computing (HPC) clusters. Installing GPUs on each node of the cluster is not efficient resulting in high costs and power consumption as well as…

The exponential growth in data has intensified the demand for computational power to train large-scale deep learning models. However, the rapid growth in model size and complexity raises concerns about equal and fair access to computational…

We describe our contribution as industrial stakeholders to the existing open-source GPU4PySCF project (https: //github.com/pyscf/gpu4pyscf), a GPU-accelerated Python quantum chemistry package. We have integrated GPU acceleration into other…

Torch Geometric Pool (tgp) is a pooling library built on top of PyTorch Geometric. Graph pooling methods differ in how they assign nodes to supernodes, how they handle batches, what they return after pooling, and whether they expose…

The discontinuous Galerkin (DG) finite element method is conservative, lends itself well to parallelization, and is high-order accurate due to its close affinity with the theory of quadrature and orthogonal polynomials. When applied with an…

Accurate and inexpensive Reduced Order Models (ROMs) for forecasting turbulent flows can facilitate rapid design iterations and thus prove critical for predictive control in engineering problems. Galerkin projection based Reduced Order…

We present the extension of the Tinker-HP package (Lagard\`ere et al., Chem. Sci., 2018,9, 956-972) to the use of Graphics Processing Unit (GPU) cards to accelerate molecular dynamics simulations using polarizable many-body force fields.…

In this work we present an efficient implementation of Canonical Monte Carlo simulation for Coulomb many body systems on graphics processing units (GPU). Our method takes advantage of the GPU Single Instruction, Multiple Data (SIMD)…

With the growing significance of graphs as an effective representation of data in numerous applications, efficient graph analysis using modern machine learning is receiving a growing level of attention. Deep learning approaches often…

This paper presents a Graphics Processing Units (GPUs) acceleration method of an iterative scheme for gas-kinetic model equations. Unlike the previous GPU parallelization of explicit kinetic schemes, this work features a fast converging…

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…

Conformal prediction (CP) is a powerful statistical framework that generates prediction intervals or sets with guaranteed coverage probability. While CP algorithms have evolved beyond traditional classifiers and regressors to sophisticated…

We present an efficient open-source implementation of the multiparticle collision dynamics (MPCD) algorithm that scales to run on hundreds of graphics processing units (GPUs). We especially focus on optimizations for modern GPU…

In this work, a novel method with an adaptive functional basis for reduced order models (ROM) based on proper orthogonal decomposition (POD) is introduced. The method is intended to be applied in particular to hydrocarbon reservoir…

Genetic Programming (GP) is a computationally intensive technique which is naturally parallel in nature. Consequently, many attempts have been made to improve its run-time from exploiting highly parallel hardware such as GPUs. However, a…

This paper introduces open-source computational fluid dynamics software named open computational fluid dynamic code for scientific computation with graphics processing unit (GPU) system (OpenCFD-SCU), developed by the authors for direct…