12715
F. T. Winter, M. A. Clark, R. G. Edwards, B. Joo
Computing platforms equipped with accelerators like GPUs have proven to provide great computational power. However, exploiting such platforms for existing scientific applications is not a trivial task. Current GPU programming frameworks such as CUDA C/C++ require low-level programming from the developer in order to achieve high performance code. As a result porting of applications to […]
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Alexander Ayriyan, Jan Busa Jr., Eugeny E. Donets, Hovik Grigorian, Jan Pribis
A model of a multilayer device with non-trivial geometrical and material structure and its working process is suggested. The thermal behavior of the device as one principle characteristic is simulated. The algorithm for solving the non-stationary heat conduction problem with a time-dependent periodical heating source is suggested. The algorithm is based on finite difference explicit–implicit […]
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Loren Schwiebert, Eyad Hailat, Kamel Rushaidat, Jason Mick, Jeffrey Potoff
Maximizing the performance potential of the modern day GPU architecture requires judicious utilization of available parallel resources. Although dramatic reductions can often be obtained through straightforward mappings, further performance improvements often require algorithmic redesigns to more closely exploit the target architecture. In this paper, we focus on efficient molecular simulations for the GPU and propose […]
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Doug Schouten, Adam DeAbreu, Bernd Stelzer
The matrix element method utilizes ab initio calculations of probability densities as powerful discriminants for processes of interest in experimental particle physics. The method has already been used successfully at previous and current collider experiments. However, the computational complexity of this method for final states with many particles and degrees of freedom sets it at […]
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Arne Vansteenkiste, Jonathan Leliaert, Mykola Dvornik, Felipe Garcia-Sanchez, Bartel Van Waeyenberge
We report on the design, verification and performance of mumax3, an open-source GPU-accelerated micromagnetic simulation program. This software solves the time- and space dependent magnetization evolution in nano- to micro scale magnets using a finite-difference discretization. Its high performance and low memory requirements allow for large-scale simulations to be performed in limited time and on […]
M. Rieke, T. Trost, R. Grauer
We present a way to combine Vlasov and two-fluid codes for the simulation of a collisionless plasma in large domains while keeping full information of the velocity distribution in localized areas of interest. This is made possible by solving the full Vlasov equation in one region while the remaining area is treated by a 5-moment […]
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Claas Abert, Gregor Wautischer, Florian Bruckner, Armin Satz, Dieter Suess
We implement an efficient energy-minimization algorithm for finite-difference micromagnetics that proofs especially usefull for the computation of hysteresis loops. Compared to results obtained by time integration of the Landau-Lifshitz-Gilbert equation, a speedup of up to two orders of magnitude is gained. The method is implemented in a finite-difference code running on CPUs as well as […]
Yukihiro Komura, Yutaka Okabe
We present sample CUDA programs for the GPU computing of the Swendsen-Wang multi-cluster spin flip algorithm. We deal with the classical spin models; the Ising model, the q-state Potts model, and the classical XY model. As for the lattice, both the 2D (square) lattice and the 3D (simple cubic) lattice are treated. We already reported […]
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Brendan M McLaughlin, Connor P Ballance
Petaflop architectures are currently being utilized efficiently to perform large scale computations in Atomic, Molecular and Optical Collisions. We solve the Schroedinger or Dirac equation for the appropriate collision problem using the R-matrix or R-matrix with pseudo-states approach. We briefly outline the parallel methodology used and implemented for the current suite of Breit-Pauli and DARC […]
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Dmitri Priimak
We present finite differences numerical algorithm for solving 2D spatially homogeneous Boltzmann transport equation for semiconductor superlattices (SL) subject to time dependant electric field along SL axis and constant perpendicular magnetic field. Algorithm is implemented in C language targeted to CPU and in CUDA C language targeted to commodity NVidia GPUs. We compare performance and […]
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Lorenzo Rovigatti, Petr Sulc, Istvan Z. Reguly, Flavio Romano
We test the performances of two different approaches to the computation of forces for molecular dynamics simulations on Graphics Processing Units. A "vertex-based" approach, where a computing thread is started per particle, is compared to a newly proposed "edge-based" approach, where a thread is started per each potentially non-zero interaction. We find that the former […]
Dario Tamascelli, Francesco S. Dambrosio, Riccardo Conte, Michele Ceotto
This paper presents a graphics processing units (GPUs) implementation of the semiclassical initial value representation (SC-IVR) propagator for vibrational molecular spectroscopy calculations. The time-averaging formulation of the SC-IVR for power spectrum calculations is employed. Details about the CUDA implementation of the semiclassical code are provided. 4 molecules with an increasing number of atoms are considered […]
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