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Supercomputing for molecular dynamic...
~
Heinecke, Alexander.
Supercomputing for molecular dynamics simulationshandling multi-trillion particles in nanofluidics /
紀錄類型:
書目-電子資源 : Monograph/item
正題名/作者:
Supercomputing for molecular dynamics simulationsby Alexander Heinecke ... [et al.].
其他題名:
handling multi-trillion particles in nanofluidics /
其他作者:
Heinecke, Alexander.
出版者:
Cham :Springer International Publishing :2015.
面頁冊數:
x, 76 p. :ill., digital ;24 cm.
Contained By:
Springer eBooks
標題:
Molecular dynamicsComputer simulation.
電子資源:
http://dx.doi.org/10.1007/978-3-319-17148-7
ISBN:
9783319171487 (electronic bk.)
Supercomputing for molecular dynamics simulationshandling multi-trillion particles in nanofluidics /
Supercomputing for molecular dynamics simulations
handling multi-trillion particles in nanofluidics /[electronic resource] :by Alexander Heinecke ... [et al.]. - Cham :Springer International Publishing :2015. - x, 76 p. :ill., digital ;24 cm. - SpringerBriefs in computer science,2191-5768. - SpringerBriefs in computer science..
Introduction -- Molecular Dynamics Simulation -- Parallelization of MD Algorithms and Load Balancing -- Efficient Implementation of the Force Calculation in MD Simulations -- Experiments -- Conclusion.
This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms. The work describes distributed and shared-memory parallelization on these platforms, including load balancing, with a particular focus on the efficient implementation of the compute kernels. The text also discusses the software-architecture of the resulting code.
ISBN: 9783319171487 (electronic bk.)
Standard No.: 10.1007/978-3-319-17148-7doiSubjects--Topical Terms:
193884
Molecular dynamics
--Computer simulation.
LC Class. No.: QP517.M65
Dewey Class. No.: 572.33
Supercomputing for molecular dynamics simulationshandling multi-trillion particles in nanofluidics /
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