TY  - GEN
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.
DO  - 10.1007/978-3-319-17148-7
DO  - doi
AB  - 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.
T1  - Supercomputing for molecular dynamics simulationshandling multi-trillion particles in nanofluidics /
AU  - Heinecke, Alexander,
AU  - Eckhardt, Wolfgang,
AU  - Horsch, Martin,
AU  - Bungartz, H.-J.
CN  - QP517.M65
ID  - 726344
KW  - Molecular dynamics
SN  - 9783319171487
SN  - 3319171488
TI  - Supercomputing for molecular dynamics simulationshandling multi-trillion particles in nanofluidics /
LK  - https://univsouthin.idm.oclc.org/login?url=http://link.springer.com/10.1007/978-3-319-17148-7
UR  - https://univsouthin.idm.oclc.org/login?url=http://link.springer.com/10.1007/978-3-319-17148-7
ER  -