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Record Nr. |
UNINA9910299244203321 |
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Autore |
Heinecke Alexander |
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Titolo |
Supercomputing for Molecular Dynamics Simulations : Handling Multi-Trillion Particles in Nanofluidics / / by Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz |
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Pubbl/distr/stampa |
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Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 |
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ISBN |
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Edizione |
[1st ed. 2015.] |
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Descrizione fisica |
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1 online resource (83 p.) |
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Collana |
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SpringerBriefs in Computer Science, , 2191-5768 |
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Disciplina |
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Soggetti |
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Computer system failures |
Computer simulation |
Fluid mechanics |
Computers, Special purpose |
System Performance and Evaluation |
Simulation and Modeling |
Engineering Fluid Dynamics |
Special Purpose and Application-Based Systems |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references at the end of each chapters. |
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Nota di contenuto |
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Introduction -- Molecular Dynamics Simulation -- Parallelization of MD Algorithms and Load Balancing -- Efficient Implementation of the Force Calculation in MD Simulations -- Experiments -- Conclusion. |
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Sommario/riassunto |
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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. |
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