Name
Title | ||
|---|---|---|
Parallel Fock matrix construction program for molecular orbital calculation--specific computer with a hierarchical network. |
Abstract | ||
|---|---|---|
A parallel Fock matrix construction program for a hierarchical network has been developed on the molecular orbital calculation-specific EHPC system. To obtain high parallelization efficiency on the hierarchical network system, a multilevel dynamic load-balancing scheme was adopted, which provides equal load balance and localization of communications on a tree-structured hierarchical network. The parallelized Fock matrix construction routine was implemented into a GAMESS program on the EHPC system, which has a tree-structured hierarchical network. Benchmark results on a 63-processor system showed high parallelization efficiency even on the tree-structured hierarchical network. (C) 2008 Wiley Periodicals, Inc. J Comput Chem 30: 826-831, 2009 |
Year | DOI | Venue |
|---|---|---|
2009 | 10.1002/jcc.21108 | JOURNAL OF COMPUTATIONAL CHEMISTRY |
Keywords | Field | DocType |
embedded high performance computing (EHPC),multilevel dynamic load-balancing scheme,parallel Fock matrix construction,tree-structured hierarchical network,special-purpose computer | Molecular orbital,Load balancing (computing),Computer science,Computational chemistry,Parallel computing,Fock matrix,GAMESS | Journal |
Volume | Issue | ISSN |
30 | 5 | 0192-8651 |
Citations | PageRank | References |
1 | 0.37 | 6 |
Authors | ||
4 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Hiroaki Umeda | 1 | 17 | 6.48 |
| Yuichi Inadomi | 2 | 64 | 6.85 |
| Hiroaki Honda | 3 | 1 | 0.37 |
| Umpei Nagashima | 4 | 297 | 59.43 |