Effective Resource Allocation in Parallel Quantum-Chemical Calculations
Keywords:
Computational chemistry, parallelization, optimization, super-linear scalingAbstract
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.Downloads
Download data is not yet available.
Downloads
Published
2012-01-26
How to Cite
Mazur, G., Makowski, M., & Brela, M. (2012). Effective Resource Allocation in Parallel Quantum-Chemical Calculations. Computing and Informatics, 30(4), 761–771. Retrieved from http://147.213.75.17/ojs/index.php/cai/article/view/195
Issue
Section
Articles