Computer simulation of liquids
Computer simulation of liquids
Fast parallel algorithms for short-range molecular dynamics
Journal of Computational Physics
The Nosé-Poincaré method for constant temperature molecular dynamics
Journal of Computational Physics - Special issue on computational molecular biophysics
Understanding Molecular Simulation
Understanding Molecular Simulation
Analysis of the Clustering Properties of the Hilbert Space-Filling Curve
IEEE Transactions on Knowledge and Data Engineering
GPU accelerated molecular dynamics simulation of thermal conductivities
Journal of Computational Physics
Adapting a message-driven parallel application to GPU-accelerated clusters
Proceedings of the 2008 ACM/IEEE conference on Supercomputing
Proceedings of 2nd Workshop on General Purpose Processing on Graphics Processing Units
Journal of Parallel and Distributed Computing
GPU accelerated Monte Carlo simulation of the 2D and 3D Ising model
Journal of Computational Physics
Towards Large-Scale Molecular Dynamics Simulations on Graphics Processors
BICoB '09 Proceedings of the 1st International Conference on Bioinformatics and Computational Biology
Probing biomolecular machines with graphics processors
Communications of the ACM - A View of Parallel Computing
Probing Biomolecular Machines with Graphics Processors
Queue - Bioscience
Increasing memory miss tolerance for SIMD cores
Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis
A case study on dynamic kernel adaptation in a component-based infectious disease simulator
Proceedings of the 2009 Workshop on Component-Based High Performance Computing
Iterative induced dipoles computation for molecular mechanics on GPUs
Proceedings of the 3rd Workshop on General-Purpose Computation on Graphics Processing Units
Proceedings of the International Conference and Workshop on Emerging Trends in Technology
LBM based flow simulation using GPU computing processor
Computers & Mathematics with Applications
GPU-accelerated molecular dynamics simulation for study of liquid crystalline flows
Journal of Computational Physics
High-order finite-element seismic wave propagation modeling with MPI on a large GPU cluster
Journal of Computational Physics
A Memory Centric Kernel Framework for Accelerating Short-Range, Interactive Particle Simulation
CCGRID '10 Proceedings of the 2010 10th IEEE/ACM International Conference on Cluster, Cloud and Grid Computing
Molecular Dynamics Simulations on High-Performance Reconfigurable Computing Systems
ACM Transactions on Reconfigurable Technology and Systems (TRETS)
Journal of Real-Time Image Processing
Exploiting 162-Nanosecond End-to-End Communication Latency on Anton
Proceedings of the 2010 ACM/IEEE International Conference for High Performance Computing, Networking, Storage and Analysis
Optimal Utilization of Heterogeneous Resources for Biomolecular Simulations
Proceedings of the 2010 ACM/IEEE International Conference for High Performance Computing, Networking, Storage and Analysis
Proceedings of the 2010 ACM/IEEE International Conference for High Performance Computing, Networking, Storage and Analysis
Immersive molecular visualization and interactive modeling with commodity hardware
ISVC'10 Proceedings of the 6th international conference on Advances in visual computing - Volume Part II
Journal of Computational Physics
Data structures and transformations for physically based simulation on a GPU
VECPAR'10 Proceedings of the 9th international conference on High performance computing for computational science
GPU accelerated simulations of 3D deterministic particle transport using discrete ordinates method
Journal of Computational Physics
Journal of Computational Physics
Multi-physical simulations of current-induced domain wall motion using graphics processing units
Proceedings of the 2010 Conference on Grand Challenges in Modeling & Simulation
Proceedings of the 9th International Conference on Computational Methods in Systems Biology
The Journal of Supercomputing
GPU-based single-cluster algorithm for the simulation of the Ising model
Journal of Computational Physics
Journal of Parallel and Distributed Computing
Proceedings of the 2011 companion on High Performance Computing Networking, Storage and Analysis Companion
GPU computing in biomolecular modeling and nanodesign
MMCP'11 Proceedings of the 2011 international conference on Mathematical Modeling and Computational Science
International Journal of High Performance Computing Applications
Parallel verlet neighbor list algorithm for GPU-optimized MD simulations
Proceedings of the ACM Conference on Bioinformatics, Computational Biology and Biomedicine
High-performance dynamic quantum clustering on graphics processors
Journal of Computational Physics
Computational physics on graphics processing units
PARA'12 Proceedings of the 11th international conference on Applied Parallel and Scientific Computing
Kernel Weaver: Automatically Fusing Database Primitives for Efficient GPU Computation
MICRO-45 Proceedings of the 2012 45th Annual IEEE/ACM International Symposium on Microarchitecture
Reaction-diffusion model Monte Carlo simulations on the GPU
Journal of Computational Physics
GPU-based Monte Carlo simulation for the Gibbs ensemble
Proceedings of the High Performance Computing Symposium
Proceedings of the International Conference on Bioinformatics, Computational Biology and Biomedical Informatics
Massively parallel Monte Carlo for many-particle simulations on GPUs
Journal of Computational Physics
Exploiting hierarchy parallelism for molecular dynamics on a petascale heterogeneous system
Journal of Parallel and Distributed Computing
Accelerated finite element elastodynamic simulations using the GPU
Journal of Computational Physics
Journal of Computational Physics
The Metropolis Monte Carlo method with CUDA enabled Graphic Processing Units
Journal of Computational Physics
Recent progress and challenges in exploiting graphics processors in computational fluid dynamics
The Journal of Supercomputing
Hi-index | 31.51 |
Graphics processing units (GPUs), originally developed for rendering real-time effects in computer games, now provide unprecedented computational power for scientific applications. In this paper, we develop a general purpose molecular dynamics code that runs entirely on a single GPU. It is shown that our GPU implementation provides a performance equivalent to that of fast 30 processor core distributed memory cluster. Our results show that GPUs already provide an inexpensive alternative to such clusters and discuss implications for the future.