| Description |
1 online resource |
| Series |
SpringerBriefs in computer science |
|
SpringerBriefs in computer science.
|
| Contents |
Introduction -- Molecular Dynamics Simulation -- Parallelization of MD Algorithms and Load Balancing -- Efficient Implementation of the Force Calculation in MD Simulations -- Experiments -- Conclusion |
| Summary |
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 |
| Bibliography |
Includes bibliographical references |
| Notes |
English |
|
Vendor-supplied metadata |
| Subject |
Molecular dynamics -- Computer simulation.
|
| Form |
Electronic book
|
| Author |
Bungartz, H.-J. (Hans-Joachim), author
|
|
Eckhardt, Wolfgang, 1935- author
|
|
Horsch, Martin, author
|
| ISBN |
331917147X (print) |
|
3319171488 (electronic bk.) |
|
9783319171470 (print) |
|
9783319171487 (electronic bk.) |
|
