Heinecke, Alexander. <br/><br/>
Supercomputing for Molecular Dynamics Simulations  Handling Multi-Trillion Particles in Nanofluidics /  [electronic resource] : 
by Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz. 
 - X, 76 p. 35 illus., 13 illus. in color.  online resource. 
 - SpringerBriefs in Computer Science,  2191-5768 .
 - SpringerBriefs in Computer Science, .
<br/><br/>Introduction -- Molecular Dynamics Simulation -- Parallelization of MD Algorithms and Load Balancing -- Efficient Implementation of the Force Calculation in MD Simulations -- Experiments -- Conclusion. 
<br/><br/> 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. 
<br/><br/><label>ISBN: </label>9783319171487 
<br/><br/><label>Standard No.: </label>10.1007/978-3-319-17148-7  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Computer science.<br/>Special purpose computers.<br/>Computer system failures.<br/>Computer simulation.<br/>Fluid mechanics.<br/>Computer Science.<br/>System Performance and Evaluation.<br/>Simulation and Modeling.<br/>Engineering Fluid Dynamics.<br/>Special Purpose and Application-Based Systems.
<br/><br/><label>LC Class. No.: </label>QA76.9.E94 
<br/><br/><label>Dewey Class. No.: </label>004.24