期刊
COMPUTING AND INFORMATICS
卷 30, 期 4, 页码 761-771出版社
SLOVAK ACAD SCIENCES INST INFORMATICS
关键词
Computational chemistry; parallelization; optimization; super-linear scaling
资金
- ACK Cyfronet [MEiN/SGI3700/UJ/077/2006]
Key factors affecting the parallel efficiency of archetypical quantum-chemical calculations are discussed. Effective load balancing schemes are proposed. Introduction of the memory affinity to the balancing process is shown to result in super-linear scaling.
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