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A Parallel Engine for Graphical Interactive Molecular Dynamics Simulations
Foz do Igua?u, PR - Brazil October 27-October 29
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/CAHPC.2004.316th Symposium on Computer Architectu ...
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Eduardo Rocha Rodrigues, Airam Jonatas Preto, Stephan Stephany, "A Parallel Engine for Graphical Interactive Molecular Dynamics Simulations," Computer Architecture and High Performance Computing, Symposium on, pp. 150-157, 16th Symposium on Computer Architecture and High Performance Computing (SBAC-PAD'04), 2004.
 
 
BibTex
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@article{ 10.1109/CAHPC.2004.3,
author = {Eduardo Rocha Rodrigues and Airam Jonatas Preto and Stephan Stephany},
title = {A Parallel Engine for Graphical Interactive Molecular Dynamics Simulations},
journal ={Computer Architecture and High Performance Computing, Symposium on},
volume = {0},
year = {2004},
issn = {1550-6533},
pages = {150-157},
doi = {http://doi.ieeecomputersociety.org/10.1109/CAHPC.2004.3},
publisher = {IEEE Computer Society},
address = {Los Alamitos, CA, USA},
}
 
 
RefWorks Procite/RefMan/Endnote
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TY - CONF
JO - Computer Architecture and High Performance Computing, Symposium on
TI - A Parallel Engine for Graphical Interactive Molecular Dynamics Simulations
SN - 1550-6533
SP150
EP157
A1 - Eduardo Rocha Rodrigues,
A1 - Airam Jonatas Preto,
A1 - Stephan Stephany,
PY - 2004
KW - null
VL - 0
JA - Computer Architecture and High Performance Computing, Symposium on
ER -
 
Eduardo Rocha Rodrigues, Brazilian Institute for Space Research (INPE)
Airam Jonatas Preto, Brazilian Institute for Space Research (INPE)
Stephan Stephany, Brazilian Institute for Space Research (INPE)
The current work proposes a parallel implementation for interactive molecular dynamics simulations (MD). The interactive capability is modeled by finite automata that are executed in the processing nodes. Any interaction implies in a communication between the user interface and the finite automata. The ADKS, an interactive sequential MD code that provides graphical output was chosen as a case study. A parallel version of this code was developed using the MPI cummunication library to check its parallel performance without/with visualization. Performance results are discussed for both cases and the influence of visualization in the performance is also treated, including image update rate. In order to allow a modular approach, a new parallel version of the ADKS is being implemented employing the PyMPI Python extension.
Citation:
Eduardo Rocha Rodrigues, Airam Jonatas Preto, Stephan Stephany, "A Parallel Engine for Graphical Interactive Molecular Dynamics Simulations," sbac-pad, pp.150-157, 16th Symposium on Computer Architecture and High Performance Computing (SBAC-PAD'04), 2004
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