Related papers: Portable multi-node LQCD Monte Carlo simulations u…
The modern trend in High-Performance Computing (HPC) involves the use of accelerators such as Graphics Processing Units (GPUs) alongside Central Processing Units (CPUs) to speed up numerical operations in various applications. Leading…
Numerical codes using the Lattice Boltzmann Methods (LBM) for simulating one- or two-phase flows are widely compiled and run on graphical process units. However, those computational units necessitate to re-write the program by using a…
Monte Carlo (MC) simulations of lattice models are a widely used way to compute thermodynamic properties of substitutional alloys. A limitation to their more widespread use is the difficulty of driving a MC simulation in order to obtain the…
Lattice QCD calculations were one of the first applications to show the potential of GPUs in the area of high performance computing. Our interest is to find ways to effectively use GPUs for lattice calculations using the overlap operator.…
We give an overview of the QPACE project, which is pursuing the development of a massively parallel, scalable supercomputer for LQCD. The machine is a three-dimensional torus of identical processing nodes, based on the PowerXCell 8i…
Improved staggered fermion formulations are a popular choice for lattice QCD calculations. Historically, the algorithm used for such calculations has been the inexact R algorithm, which has systematic errors that only vanish as the square…
We present the first open access version of the QMeCha (Quantum MeCha) code, a quantum Monte Carlo (QMC) package developed to study many-body interactions between different types of quantum particles, with a modular and easy-to-expand…
We introduce a multigrid multilevel Monte Carlo method for stochastic trace estimation in lattice QCD based on orthogonal projections. This formulation extends the previously proposed oblique decomposition and it is assessed on three…
Heterogeneous systems are becoming more common on High Performance Computing (HPC) systems. Even using tools like CUDA and OpenCL it is a non-trivial task to obtain optimal performance on the GPU. Approaches to simplifying this task include…
A grand canonical Monte Carlo (MC) algorithm is presented for studying the lattice gas model (LGM) of multiple protein sequence alignment, which coherently combines long-range interactions and variable-length insertions. MC simulations are…
Radiative transfer modelling is part of many astrophysical simulations and is used to make synthetic observations and to assist analysis of observations. We concentrate on the modelling of the radio lines emitted by the interstellar medium.…
Generalized-ensemble Monte Carlo simulations such as the multicanonical method and similar techniques are among the most efficient approaches for simulations of systems undergoing discontinuous phase transitions or with rugged free- energy…
An increasing number of applications are exploiting sampling-based algorithms for planning, optimization, and inference. The Markov Chain Monte Carlo (MCMC) algorithms form the computational backbone of this emerging branch of machine…
In the stochastic gradient descent (SGD) for sequential simulations such as the neural stochastic differential equations, the Multilevel Monte Carlo (MLMC) method is known to offer better theoretical computational complexity compared to the…
We design and implement HPMC, a scalable hard particle Monte Carlo simulation toolkit, and release it open source as part of HOOMD-blue. HPMC runs in parallel on many CPUs and many GPUs using domain decomposition. We employ BVH trees…
We present a scheme for the parallelization of quantum Monte Carlo on graphical processing units, focusing on bosonic systems and variational Monte Carlo. We use asynchronous execution schemes with shared memory persistence, and obtain an…
Today, cheap numerical hardware offers huge amounts of parallel computing power, much of which is used for the task of fitting neural networks to data. Adoption of this hardware to accelerate statistical Markov chain Monte Carlo (MCMC)…
For reasons of both performance and energy efficiency, high-performance computing (HPC) hardware is becoming increasingly heterogeneous. The OpenCL framework supports portable programming across a wide range of computing devices and is…
OpenACC is a high-level directive-based parallel programming model that can manage the sophistication of heterogeneity in architectures and abstract it from the users. The portability of the model across CPUs and accelerators has gained the…
In this paper we study from a numerical analysis perspective the Fractional Step Kinetic Monte Carlo (FS-KMC) algorithms proposed in [1] for the parallel simulation of spatially distributed particle systems on a lattice. FS-KMC are…