Related papers: Effects of Easy Hybrid Parallelization with CUDA f…

CUDA and OpenCL are two different frameworks for GPU programming. OpenCL is an open standard that can be used to program CPUs, GPUs, and other devices from different vendors, while CUDA is specific to NVIDIA GPUs. Although OpenCL promises a…

Domain-specific languages that execute image processing pipelineson GPUs, such as Halide and Forma, operate by 1) dividing the image into overlapped tiles, and 2) fusing loops to improve memory locality. However, current approaches have…

We discuss an implementation of molecular dynamics (MD) simulations on a graphic processing unit (GPU) in the NVIDIA CUDA language. We tested our code on a modern GPU, the NVIDIA GeForce 8800 GTX. Results for two MD algorithms suitable for…

Recent studies have demonstrated that near-data processing (NDP) is an effective technique for improving performance and energy efficiency of data-intensive workloads. However, leveraging NDP in realistic systems with multiple memory…

Unstructured mesh tallies are a bottleneck in Monte Carlo neutral particle transport simulations of fusion reactors. This paper introduces the PUMI-Tally library that takes advantage of mesh adjacency information to accelerate these tallies…

For the problem whether Graphic Processing Unit(GPU),the stream processor with high performance of floating-point computing is applicable to neural networks, this paper proposes the parallel recognition algorithm of Convolutional Neural…

Reduced density matrix functional theory (RDMFT) calculations are usually implemented in a decoupled manner, where the orbital and occupation optimizations are repeated alternately. Typically, orbital updates are performed using the unitary…

Robust quantum computation with d-level quantum systems (qudits) poses two requirements: fast, parallel quantum gates and high fidelity two-qudit gates. We first describe how to implement parallel single qudit operations. It is by now well…

We describe the use of Graphics Processing Units (GPUs) for speeding up the code NBODY6 which is widely used for direct $N$-body simulations. Over the years, the $N^2$ nature of the direct force calculation has proved a barrier for…

Following earlier work [Mehta, N.; Martin, J. M. L.; J. Chem. Theory Comput. 2022, 18, acs.jctc.2c00426] that showed how the slow basis set convergence of double hybrid density functional theory can be obviated by the use of F12 explicit…

A fault-tolerant quantum computer must decode and correct errors faster than they appear to prevent exponential slowdown due to error correction. The Union-Find (UF) decoder is promising with an average time complexity slightly higher than…

As CUDA programs become the de facto program among data parallel applications such as high-performance computing or machine learning applications, running CUDA on other platforms has been a compelling option. Although several efforts have…

In this paper we implemented the algorithm we developed in [1] called 3DPIFCM in a parallel environment by using CUDA on a GPU. In our previous work we introduced 3DPIFCM which performs segmentation of images in noisy conditions and uses…

Double-hybrid density functional theory (DHDFT) offers a pathway to accuracies approaching composite wavefunction approaches like G4 theory. However, the GLPT2 (G{\"o}rling 2nd order perturbation theory) term causes them to partially…

Quantum computing based on Neutral Atoms (NAs) provides a wide range of computational capabilities, encompassing high-fidelity long-range interactions with native multi-qubit gates, and the ability to shuttle arrays of qubits. While…

Many-Fermion Dynamics-nuclear, or MFDn, is a configuration interaction (CI) code for nuclear structure calculations. It is a platform-independent Fortran 90 code using a hybrid MPI+X programming model. For CPU platforms the application has…

Standard approximations for the exchange-correlation (XC) functional in Kohn-Sham density functional theory (KS-DFT) typically lead to unacceptably large errors when applied to strongly-correlated electronic systems. Partition-DFT (PDFT) is…

MPI applications matter. However, with the advent of many-core processors, traditional MPI applications are challenged to achieve satisfactory performance. This is due to the inability of these applications to respond to load imbalances, to…

We present a new very fast tree-code which runs on massively parallel Graphical Processing Units (GPU) with NVIDIA CUDA architecture. The tree-construction and calculation of multipole moments is carried out on the host CPU, while the force…

Efficient implementations of the classical molecular dynamics (MD) method for Lennard-Jones particle systems are considered. Not only general algorithms but also techniques that are efficient for some specific CPU architectures are also…