Hybrid-Parallel Formulation Of Fundamental Quantum-Chemical Algorithms
Hybrid-parallel variants of Hartree-Fock, Kohn-Sham and Møller-Plesset second-level perturbationtheory are described. Their efficiency with respect to the serial and MPI-basedparallel implementations are measured and briefly analyzed. It is shown that while hybridparallelization provide increased ef...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
AGH University of Science and Technology Press
2011-01-01
|
| Series: | Computer Science |
| Subjects: | |
| Online Access: | http://journals.agh.edu.pl/csci/article/download/100/63 |