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Effective Resource Allocation in Parallel Quantum-Chemical Calculations

In: Computing and Informatics, vol. 30, no. 4
G. Mazur - M. Makowski - M. Brela

Details:

Year, pages: 2011, 761 - 771
Keywords:
Computational chemistry, parallelization, optimization, super-linear scaling
About article:
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.
How to cite:
ISO 690:
Mazur, G., Makowski, M., Brela, M. 2011. Effective Resource Allocation in Parallel Quantum-Chemical Calculations. In Computing and Informatics, vol. 30, no.4, pp. 761-771. 1335-9150.

APA:
Mazur, G., Makowski, M., Brela, M. (2011). Effective Resource Allocation in Parallel Quantum-Chemical Calculations. Computing and Informatics, 30(4), 761-771. 1335-9150.