TY  - BOOK
AU  - Heinecke,Alexander
AU  - Eckhardt,Wolfgang
AU  - Horsch,Martin
AU  - Bungartz,Hans-Joachim
ED  - SpringerLink (Online service)
TI  - Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics 
T2  - SpringerBriefs in Computer Science,
SN  - 9783319171487
AV  - QA76.9.E94 
U1  - 004.24 23
PY  - 2015///
CY  - Cham
PB  - Springer International Publishing, Imprint: Springer
KW  - Computer Science
KW  - Special purpose computers
KW  - Computer system failures
KW  - Computer simulation
KW  - Fluid mechanics
KW  - System Performance and Evaluation
KW  - Simulation and Modeling
KW  - Engineering Fluid Dynamics
KW  - Special Purpose and Application-Based Systems
N1  - Introduction -- Molecular Dynamics Simulation -- Parallelization of MD Algorithms and Load Balancing -- Efficient Implementation of the Force Calculation in MD Simulations -- Experiments -- Conclusion
N2  - 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
UR  - http://dx.doi.org/10.1007/978-3-319-17148-7
ER  -