Increased Efficiency of Parallel Calculations of Fragment Molecular Orbitals by Using Fine-Grained Parallelization on a HITACHI SR8000 Supercomputer.
Yuichi InadomiTatsuya NakanoKazuo KitauraUmpei NagashimaPublished in: HPCN Europe (2001)
Keyphrases
- fine grained
- coarse grained
- massively parallel
- message passing interface
- shared memory
- access control
- parallel processing
- parallel execution
- parallel programming
- building blocks
- tightly coupled
- distributed memory
- parallel implementation
- parallel computation
- super resolution
- high performance computing
- message passing
- parallel implementations
- data lineage
- parallel version
- parallel computing
- high level
- blue gene
- databases