Name
Abstract | ||
|---|---|---|
We present a shared-memory parallelization of our open-source, local correlation multi-reference framework, TigerCI. Benchmarks of the total parallel speedup show a reasonable scaling for typical modern computing system setups. The efficient use of available computing resources will extend simulations on this high level of theory into a new size regime. We demonstrate our framework using local-correlation multireference computations of alkyl-substituted dioxirane and solvated methyl nitrene as examples. |
Year | DOI | Venue |
|---|---|---|
2014 | 10.1016/j.cpc.2014.08.016 | Computer Physics Communications |
Keywords | Field | DocType |
Local correlation,Parallelization,Shared memory,Multi reference,Dioxirane,Multi-reference configuration interaction | Shared memory parallelization,Shared memory,Computer science,Parallel computing,Correlation,Scaling,Computing systems,Speedup,Computation | Journal |
Volume | Issue | ISSN |
185 | 12 | 0010-4655 |
Citations | PageRank | References |
0 | 0.34 | 3 |
Authors | ||
7 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Johannes M. Dieterich | 1 | 23 | 3.87 |
| David B. Krisiloff | 2 | 0 | 0.34 |
| Alexander Gaenko | 3 | 16 | 3.81 |
| F. Libisch | 4 | 0 | 0.68 |
| Theresa L. Windus | 5 | 229 | 30.66 |
| Mark S. Gordon | 6 | 283 | 25.73 |
| Emily A. Carter | 7 | 21 | 6.52 |