J. P. Brunet, A. Edelman and J. P. Mesirov, An Optimal Hypercube Direct N-body Solver on the Connection Machine. Proceedings of Supercomputing 90, IEEE Computer Society Press 1990.

Digital Library

Google Scholar

[8]

J. P. Brunet, A. Edelman and J. P. Mesirov, Two Hypercube Algorithms for Direct N-body Solvers, in preparation.

Google Scholar

[9]

Applegate, J.F., M.R. Douglas, Y. Gursel, P. Hunter, C. Seitz, and G.J. Sussman, 1985, IEEE Trans. Comput. 84, 822.

Google Scholar

[10]

M. Schoen, Cutup. Phys. Comm., 52, 175 (1989).

Crossref

Google Scholar

[11]

D. M. Heyes and W. Smith. Inf. Q. Comput. Simulation Condensed Phases (Daresbury Laboratory), 28, 63 (1988).

Google Scholar

[12]

G. S. Grest, B. Dunweg and K. Kremer, Cutup. Phys. Comm. 55,269 (1989).

Crossref

Google Scholar

[13]

B.G.J.P.T. Murray, P. A. Bash and M. Karplus, Molecular Dynamics on the Connection Machine, Thinking Machines Corp. Technical Reports Series, CB88-3 (1988).

Google Scholar

[14]

W. Taylor, J. Mesirov and B. M. Boghosian, Symmetric Paths on Multidimensional Lattices, in preparation.

Google Scholar

[15]

A. I. Mel'Suk, R. C. Giles and H. Gould, Molecular Dynamics simulation of liquids on the Connection Machine, Computers in Physics, May/June 1991.

Google Scholar

[16]

J. Yang, H. Gould, W. Klein, R. D. Mountain, J. Chem. Phys. 93, 711 (1990).

Crossref

Google Scholar

[17]

W. C. Swope and I|. C. Andersen, Phys. Rev. B, 41, 7042 (1990).

Crossref

Google Scholar

Cited By

View all

Martínez L(2022)CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoffComputer Physics Communications10.1016/j.cpc.2022.108452(108452)Online publication date: Jun-2022
https://doi.org/10.1016/j.cpc.2022.108452
Liu WSchmidt BVoss GMüller-Wittig W(2007)Molecular dynamics simulations on commodity GPUs with CUDAProceedings of the 14th international conference on High performance computing10.5555/1782174.1782199(185-196)Online publication date: 18-Dec-2007
https://dl.acm.org/doi/10.5555/1782174.1782199
Liu WSchmidt BVoss GMüller-Wittig W(2007)Molecular Dynamics Simulations on Commodity GPUs with CUDAHigh Performance Computing – HiPC 200710.1007/978-3-540-77220-0_20(185-196)Online publication date: 2007
https://doi.org/10.1007/978-3-540-77220-0_20
Show More Cited By

Index Terms

Recommendations

Parallel short range molecular dynamics simulations on computer clusters: Performance evaluation and modeling

This paper describes the performance of a portable molecular dynamics code running on an eight-node PC cluster. The molecular dynamics code is based on the atom decomposition method for distributing the computation load among the processors and the MPI ...
Massively parallel molecular dynamics simulations of lysozyme unfolding

We have performed molecular dynamics simulations for a total duration of more than 10 µs (with most molecular trajectories being 1 µs in duration) to study, the effect of a single mutation on hen lysozyme protein stability and denaturing, using an IBM ...
An investigation of molecular dynamics simulation and molecular docking: Interaction of citrus flavonoids and bovine β-lactoglobulin in focus

Citrus flavonoids are natural compounds with important health benefits. The study of their interaction with a transport protein, such as bovine @b-lactoglobulin (BLG), at the atomic level could be a valuable factor to control their transport to ...

Comments

Information & Contributors

Information

Published In

Supercomputing '91: Proceedings of the 1991 ACM/IEEE conference on Supercomputing

August 1991

920 pages

ISBN:0897914597

DOI:10.1145/125826

Conference Chair:
Ray Elliott

Permission to make digital or hard copies of all or part of this work for personal or classroom use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. Copyrights for components of this work owned by others than ACM must be honored. Abstracting with credit is permitted. To copy otherwise, or republish, to post on servers or to redistribute to lists, requires prior specific permission and/or a fee. Request permissions from [email protected]

Publisher

Association for Computing Machinery

New York, NY, United States

Publication History

Published: 01 August 1991

Permissions

Request permissions for this article.

Request Permissions

Check for updates

Qualifiers

Article

Conference

SC '91

Sponsor:

SIGARCH
IEEE-CS

SC '91: International Conference for High Performance Computing, Networking, Storage and Analysis

November 18 - 22, 1991

New Mexico, Albuquerque, USA

Acceptance Rates

Supercomputing '91 Paper Acceptance Rate 83 of 215 submissions, 39%;

Overall Acceptance Rate 1,516 of 6,373 submissions, 24%

Other Metrics

View Article Metrics

Bibliometrics & Citations

Bibliometrics

Article Metrics

17
Total Citations
View Citations
406
Total Downloads

Downloads (Last 12 months)33
Downloads (Last 6 weeks)7

Reflects downloads up to 18 Aug 2024

Other Metrics

View Author Metrics

Citations

Cited By

View all

Martínez L(2022)CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoffComputer Physics Communications10.1016/j.cpc.2022.108452(108452)Online publication date: Jun-2022
https://doi.org/10.1016/j.cpc.2022.108452
Liu WSchmidt BVoss GMüller-Wittig W(2007)Molecular dynamics simulations on commodity GPUs with CUDAProceedings of the 14th international conference on High performance computing10.5555/1782174.1782199(185-196)Online publication date: 18-Dec-2007
https://dl.acm.org/doi/10.5555/1782174.1782199
Liu WSchmidt BVoss GMüller-Wittig W(2007)Molecular Dynamics Simulations on Commodity GPUs with CUDAHigh Performance Computing – HiPC 200710.1007/978-3-540-77220-0_20(185-196)Online publication date: 2007
https://doi.org/10.1007/978-3-540-77220-0_20
Kendall RHarrison RLittlefield RGuest M(2007)High Performance Computing in Computational Chemistry: Methods and MachinesReviews in Computational Chemistry10.1002/9780470125830.ch4(209-316)Online publication date: 5-Jan-2007
https://doi.org/10.1002/9780470125830.ch4
Hayashi RHoriguchi S(2000)Efficiency of dynamic load balancing based on permanent cells for parallel molecular dynamics simulationProceedings 14th International Parallel and Distributed Processing Symposium. IPDPS 200010.1109/IPDPS.2000.845968(85-92)Online publication date: 2000
https://doi.org/10.1109/IPDPS.2000.845968
Hayashi RHoriguchi S(2000)Relationships between efficiency of dynamic load balancing and particle concentration for parallel molecular dynamics simulationProceedings Fourth International Conference/Exhibition on High Performance Computing in the Asia-Pacific Region10.1109/HPC.2000.843583(976-983 vol.2)Online publication date: 2000
https://doi.org/10.1109/HPC.2000.843583
Hayashi RHoriguchi S(1997)Domain decomposition scheme for parallel molecular dynamics simulationProceedings of the High-Performance Computing on the Information Superhighway, HPC-Asia '9710.5555/523549.822927Online publication date: 28-Apr-1997
https://dl.acm.org/doi/10.5555/523549.822927
Hayashi RHoriguchi S(1997)Domain decomposition scheme for parallel molecular dynamics simulationProceedings High Performance Computing on the Information Superhighway. HPC Asia '9710.1109/HPC.1997.592215(595-600)Online publication date: 1997
https://doi.org/10.1109/HPC.1997.592215
Rastogi SWagner N(1995)Massively parallel non-equilibrium brownian dynamics simulations for complex fluids: The rheology of brownian suspensionsComputers & Chemical Engineering10.1016/0098-1354(94)00076-X19:6-7(693-718)Online publication date: Jun-1995
https://doi.org/10.1016/0098-1354(94)00076-X
Beazley DLomdahl PGronbech-Jensen NTamayo P(1994)A high performance communications and memory caching scheme for molecular dynamics on the CM-5Proceedings of 8th International Parallel Processing Symposium10.1109/IPPS.1994.288213(800-809)Online publication date: 1994
https://doi.org/10.1109/IPPS.1994.288213
Show More Cited By

View Options

View options

PDF

View or Download as a PDF file.

PDF

eReader

View online with eReader.

eReader

Get Access

Login options

Check if you have access through your login credentials or your institution to get full access on this article.

Cited By

Index Terms

Recommendations

Parallel short range molecular dynamics simulations on computer clusters: Performance evaluation and modeling

Massively parallel molecular dynamics simulations of lysozyme unfolding

An investigation of molecular dynamics simulation and molecular docking: Interaction of citrus flavonoids and bovine β-lactoglobulin in focus

Comments

Published In

Sponsors

Publisher

Publication History

Permissions

Check for updates

Qualifiers

Conference

Acceptance Rates

Other Metrics

Article Metrics

Other Metrics

Cited By

PDF

eReader

Login options

Full Access

References

Cited By

Index Terms

Recommendations

Parallel short range molecular dynamics simulations on computer clusters: Performance evaluation and modeling

Massively parallel molecular dynamics simulations of lysozyme unfolding

An investigation of molecular dynamics simulation and molecular docking: Interaction of citrus flavonoids and bovine β-lactoglobulin in focus

Comments

Information

Published In

Sponsors

Publisher

Publication History

Permissions

Check for updates

Qualifiers

Conference

Acceptance Rates

Contributors

Other Metrics

Bibliometrics

Article Metrics

Other Metrics

Citations

Cited By

View options

PDF

eReader

Get Access

Login options

Full Access

Figures

Other

Share

Share this Publication link

Share on social media

Affiliations