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We describe a parallelised version of the MOLDY molecular dynamics program. This Fortran code is aimed at systems which may be described by short-range potentials and specifically those which may be addressed with the embedded atom method.…
As the particle physics community needs higher and higher precisions in order to test our current model of the subatomic world, larger and larger datasets are necessary. With upgrades scheduled for the detectors of colliding-beam…
We present a novel implementation of a Monte Carlo particle-following code for solving the distribution function of minority species in fusion plasmas, called ASCOT5, and verify it using theoretical results for neoclassical transport. The…
Hybrid-VPIC is an extension of the open-source high-performance particle-in-cell (PIC) code VPIC incorporating hybrid kinetic ion/fluid electron solvers. This paper describes the models that are available in the code and gives an overview…
High-Performance Computing (HPC) platforms enable scientific software to achieve breakthroughs in many research fields such as physics, biology, and chemistry, by employing Research Software Engineering (RSE) techniques. These include 1)…
With the growing complexity and capability of contemporary robotic systems, the necessity of sophisticated computing solutions to efficiently handle tasks such as real-time processing, sensor integration, decision-making, and control…
Over the past decades, multiple gyrokinetic codes have shown to be able to simulate turbulence and associated transport in the core of Tokamak devices. However, their application to the edge and scrape-off layer (SOL) region presents…
In the wake of the intense effort made for the experimental CILEX project, numerical simulation cam- paigns have been carried out in order to finalize the design of the facility and to identify optimal laser and plasma parameters. These…
GPU-based HPC clusters are attracting more scientific application developers due to their extensive parallelism and energy efficiency. In order to achieve portability among a variety of multi/many core architectures, a popular choice for an…
Evaluating high-dimensional integrals via deep hierarchical recurrences is a dominant cost in quantum chemistry. While CPUs manage these efficiently, GPUs suffer a critical mismatch: limited per-thread memory is quickly overwhelmed by an…
A new magnetohydrodynamics (MHD) code based on initial value approach, GMEC_I, has been developed for simulating various MHD physics in tokamak plasmas, as the MHD foundation of the gyrokinetic-MHD energetic particle simulation code (GMEC)…
We present the Glasgow Parallel Reduction Machine (GPRM), a novel, flexible framework for parallel task-composition based many-core programming. We allow the programmer to structure programs into task code, written as C++ classes, and…
We present a technique designed for parallelizing large rigid body simulations, capable of exploiting multiple CPU cores within a computer and across a network. Our approach can be applied to simulate both unilateral and bilateral…
Numerical heating in particle-in-cell (PIC) codes currently precludes the accurate simulation of cold, relativistic plasma over long periods, severely limiting their applications in astrophysical environments. We present a spatially…
We have developed a hybrid code GMEC: Gyro-kinetic Magnetohydrodynamics (MHD) Energetic-particle Code that can numerically simulate energetic particle-driven Alfv\'en eigenmodes and energetic particle transport in tokamak plasmas. In order…
WarpX is a general purpose electromagnetic particle-in-cell code that was originally designed to run on many-core CPU architectures. We describe the strategy followed to allow WarpX to use the GPU-accelerated nodes on OLCF's Summit…
Global electromagnetic gyrokinetic simulations are performed with the Particle-in-Cell code ORB5 for an ITER Pre-Fusion-Power-Operation (PFPO) plasma scenario, with half-field (2.65 T) and half-current (7.5 MA). We report on a 'multi-scale'…
Growing heterogeneity and configurability in HPC architectures has made auto-tuning applications and runtime parameters on these systems very complex. Users are presented with a multitude of options to configure parameters. In addition to…
Heterogeneous processors, formed by binary compatible CPU cores with different microarchitectures, enable energy reductions by better matching processing capabilities and software application requirements. This new hardware platform…
As the need for computational power and efficiency rises, parallel systems become increasingly popular among various scientific fields. While multiple core-based architectures have been the center of attention for many years, the rapid…