Parallel methods for calculation of long-range electrostatic interactions
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14330%2F13%3A00070602" target="_blank" >RIV/00216224:14330/13:00070602 - isvavai.cz</a>
Result on the web
<a href="http://arxiv.org/pdf/1309.1889v2.pdf" target="_blank" >http://arxiv.org/pdf/1309.1889v2.pdf</a>
DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Parallel methods for calculation of long-range electrostatic interactions
Original language description
Large molecular dynamics simulations (millions of atoms, tens of microseconds, thousands of processors) hit the strong scalability wall: simulation on twice as many processors does not take half the time. Inspired by large N-body space simulations, we suggest to calculate the bottleneck---the long-range interactions---parallel in time. This technical report aims to present the combination of parareal method and multilevel summation method. We thoroughly describe both methods and reasons for their particular combination. We also propose several optimizations that should provide the acceleration by an order of magnitude.
Czech name
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Czech description
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Classification
Type
O - Miscellaneous
CEP classification
IN - Informatics
OECD FORD branch
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Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů