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The Graphics Processing Unit (GPU) is a powerful tool for parallel computing. In the past years the performance and capabilities of GPUs have increased, and the Compute Unified Device Architecture (CUDA) - a parallel computing architecture…
We describe the GPU implementation of shifted or multimass iterative solvers for sparse linear systems of the sort encountered in lattice gauge theory. We provide a generic tool that can be used by those without GPU programming experience…
We introduce an approach for the real-time (2Hz) creation of a dense map and alignment of a moving robotic agent within that map by rendering using a Graphics Processing Unit (GPU). This is done by recasting the scan alignment part of the…
In this study, an $N$-body simulation code was developed for self-gravitating systems with a limited first-order post-Newtonian approximation. The code was applied to a special case in which the system consists of one massive object and…
The end of Dennard scaling and the slowdown of Moore's law led to a shift in technology trends toward parallel architectures, particularly in HPC systems. To continue providing performance benefits, HPC should embrace Approximate Computing…
The Monte Carlo method is a powerful technique for computing thermodynamic magnetic states of otherwise unsolvable spin Hamiltonians, but the method becomes computationally prohibitive with increasing number of spins and the simulation of…
Topological defects unavoidably form at symmetry breaking phase transitions in the early Universe. To probe the parameter space of theoretical models and set tighter experimental constraints (exploiting the recent advances in astrophysical…
I introduce a new code for fast calculation of the Lomb-Scargle periodogram, that leverages the computing power of graphics processing units (GPUs). After establishing a background to the newly emergent field of GPU computing, I discuss the…
Splotch is a rendering algorithm for exploration and visual discovery in particle-based datasets coming from astronomical observations or numerical simulations. The strengths of the approach are production of high quality imagery and…
We present GridFF, an efficient method for simulating molecules on rigid substrates, derived from techniques used in protein-ligand docking in biochemistry. By projecting molecule-substrate interactions onto precomputed spatial grids with…
The convex hull is a fundamental geometrical structure for many applications where groups of points must be enclosed or represented by a convex polygon. Although efficient sequential convex hull algorithms exist, and are constantly being…
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…
OpenMP is the de-facto standard for shared memory systems in High-Performance Computing (HPC). It includes a task-based model that offers a high-level of abstraction to effectively exploit highly dynamic structured and unstructured…
Lagrangian algorithms to simulate the evolution of cold dark matter (CDM) are invaluable tools to generate large suites of mock halo catalogues. In this paper, we first show that the main limitation of current semi-analytical schemes to…
Reduction operations are extensively employed in many computational problems. A reduction consists of, given a finite set of numeric elements, combining into a single value all elements in that set, using for this a combiner function. A…
Classical molecular dynamics (MD) simulations are important tools in life and material sciences since they allow studying chemical and biological processes in detail. However, the inherent scalability problem of particle-particle…
Recent advances in multi and many-core processors have led to significant improvements in the performance of scientific computing applications. However, the addition of a large number of complex cores have also increased the overall power…
Many-particle continuous-time quantum walks (CTQWs) represent a resource for several tasks in quantum technology, including quantum search algorithms and universal quantum computation. In order to design and implement CTQWs in a realistic…
It is demonstrated how the non-proprietary OpenACC standard of compiler directives may be used to compactly and efficiently accelerate the rate-determining steps of two of the most routinely applied many-body methods of electronic structure…
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…