Effective Resource Allocation in Parallel Quantum-Chemical Calculations
Grzegorz Mazur ; Marcin Makowski ; Mateusz Brela
Computing and Informatics, Tome 28 (2012) no. 1, / Harvested from Computing and Informatics
Text on Computing and Informatics
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.
Publié le : 2012-01-26
Classification:  Computational chemistry; parallelization; optimization; super-linear scaling 
@article{cai195,
     author = {Grzegorz Mazur and Marcin Makowski and Mateusz Brela},
     title = {Effective Resource Allocation in Parallel Quantum-Chemical Calculations},
     journal = {Computing and Informatics},
     volume = {28},
     number = {1},
     year = {2012},
     language = {en},
     url = {http://dml.mathdoc.fr/item/cai195}
}

Grzegorz Mazur; Marcin Makowski; Mateusz Brela. Effective Resource Allocation in Parallel Quantum-Chemical Calculations. Computing and Informatics, Tome 28 (2012) no. 1, . http://gdmltest.u-ga.fr/item/cai195/