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A high fidelity flow simulation for complex geometries for high Reynolds number ($Re$) flow is still very challenging, which requires more powerful computational capability of HPC system. However, the development of HPC with traditional CPU…
Lattice spin models are useful for studying critical phenomena and allow the extraction of equilibrium and dynamical properties. Simulations of such systems are usually based on Monte Carlo (MC) techniques, and the main difficulty is often…
The paradigm shift towards multi-core and heterogeneous computing, driven by the fundamental power and thermal limits of single-core processors, has established energy efficiency as a first-class design constraint in high-performance…
In-time particle trajectory reconstruction in the Large Hadron Collider is challenging due to the high collision rate and numerous particle hits. Using GNN (Graph Neural Network) on FPGA has enabled superior accuracy with flexible…
To find deterministic solutions to the transient $S_N$ neutron transport equation, iterative schemes are typically used to treat the scattering (and fission) source terms. We explore the one-cell inversion iteration scheme to do this on the…
Image convolution is widely used for sharpening, blurring and edge detection. In this paper, we review two common algorithms for convolving a 2D image by a separable kernel (filter). After optimising the naive codes using loop unrolling and…
The present work describes the development of heterogeneous GPGPU implicit CFD coupled solvers, encompassing both density- and pressure- based approaches. In this setup, the assembled linear matrix is offloaded onto multiple GPUs using…
Linear programming (LP) relaxation is a standard technique for solving hard combinatorial optimization (CO) problems. Here we present a gradient descent algorithm which exploits the special structure of some LP relaxations induced by CO…
High Performance Computing (HPC) platforms allow scientists to model computationally intensive algorithms. HPC clusters increasingly use General-Purpose Graphics Processing Units (GPGPUs) as accelerators; FPGAs provide an attractive…
Heterogeneous computing can potentially offer significant performance and performance per watt improvements over homogeneous computing, but the question "what is the ideal mapping of algorithms to architectures?" remains an open one. In the…
The classical simulation of quantum algorithms is a crucial tool for circuit development, testing, and validation. Although acceleration using GPUs significantly reduces simulation time, most high-performance simulators rely on…
We present an open-source CUDA-based package that consists of a compilation of exponential integrators where the action of the matrix exponential or the $\varphi_l$ functions on a vector is approximated using the method of polynomial…
Matrix multiplication is a fundamental operation in both training of neural networks and inference. To accelerate matrix multiplication, Graphical Processing Units (GPUs) provide it implemented in hardware. Due to the increased throughput…
We adopt CUDA-capable Graphic Processing Units (GPUs) for Coulomb, Landau and maximally Abelian gauge fixing in 3+1 dimensional SU(3) lattice gauge field theories. The local overrelaxation algorithm is perfectly suited for highly parallel…
Deep and shallow convection calculations occupy significant times in atmosphere models. These calculations also present significant load imbalances due to varying cloud covers over different regions of the grid. In this work, we accelerate…
Supervised learning of Convolutional Neural Networks (CNNs), also known as supervised Deep Learning, is a computationally demanding process. To find the most suitable parameters of a network for a given application, numerous training…
We introduce a GPU-accelerated multigrid Gaussian-Plane-Wave density fitting (FFTDF) approach for efficient Fock builds and nuclear gradient evaluations within Kohn-Sham density functional theory, as implemented in the GPU4PySCF module of…
In this paper we evaluate the performance of Unified Parallel C (which implements the partitioned global address space programming model) using a numerical method that is widely used in fluid dynamics. In order to evaluate the incremental…
Solving inverse problems and achieving statistical rigour in landscape evolution models requires running many model realizations. Parallel computation is necessary to achieve this in a reasonable time. However, no previous algorithm is…
In the next decade, the demands for computing in large scientific experiments are expected to grow tremendously. During the same time period, CPU performance increases will be limited. At the CERN Large Hadron Collider (LHC), these two…