Enhanced molecular dynamics performance with a programmable graphics processor
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Abstract: Design considerations for molecular dynamics algorithms capable of taking advantage of the computational power of a graphics processing unit (GPU) are described. Accommodating the constraints of scalable streaming-multiprocessor hardware necessitates a reformulation of the underlying algorithm. Performance measurements demonstrate the considerable benefit and cost-effectiveness of such an approach, which produces a factor of 2.5 speed improvement over previous work for the case of the soft-sphere potential.
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Cites work
Cited in
(24)- GPU-based molecular dynamics of turbulent liquid flows with OpenMM
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- Langevin dynamics simulations of micromechanics on graphics processors
- Fast analysis of molecular dynamics trajectories with graphics processing units -- radial distribution function histogramming
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- Designing scientific applications on GPUs
- A special purpose array processor architecture for the molecular dynamics simulation of point-mutated proteins
- GPU-accelerated molecular dynamics simulation for study of liquid crystalline flows
- Massively parallel Monte Carlo for many-particle simulations on GPUs
- Molecular structural mechanics approach to carbon nanotubes on graphics processing units
- Simulation of stochastic processes using graphics hardware
- Multibillion-atom molecular dynamics simulation: design considerations for vector-parallel processing
- Pseudo-random number generation for Brownian dynamics and dissipative particle dynamics simulations on GPU devices
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- Implementation properties of many-body potentials on heterogeneous computing systems
- GPU implementations of the Bond fluctuation model
- scientific article; zbMATH DE number 6379912 (Why is no real title available?)
- Implementing molecular dynamics on hybrid high performance computers-short range forces
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- Multi-core CPU or GPU-accelerated multiscale modeling for biomolecular complexes
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- Domain-decomposition parallelization for molecular dynamics algorithm with short-ranged potentials on Epiphany architecture
- A GPU-based large-scale Monte Carlo simulation method for systems with long-range interactions
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