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Supercomputing for Molecular-Dynamics Simulations
Heinecke, Alexander; Eckhardt, Wolfgang; Horsch, Martin; Bungartz, Hans-Joachim
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Description for Supercomputing for Molecular-Dynamics Simulations
Paperback. Series: SpringerBriefs in Computer Science. Num Pages: 86 pages, 22 black & white illustrations, 13 colour illustrations, 2 black & white tables, biography. BIC Classification: TGMF; UGK; UYD; UYQE. Category: (P) Professional & Vocational. Dimension: 235 x 155 x 5. Weight in Grams: 182.
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.
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.
Product Details
Format
Paperback
Publication date
2015
Publisher
Springer International Publishing AG Switzerland
Number of pages
86
Condition
New
Series
SpringerBriefs in Computer Science
Number of Pages
76
Place of Publication
Cham, Switzerland
ISBN
9783319171470
SKU
V9783319171470
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
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