Parallel direct SCF for large-scale calculations

Author:

Colvin M. E.,Janssen C. L.,Whiteside R. A.,Tong C. H.

Publisher

Springer Science and Business Media LLC

Subject

Chiropractics,Physical and Theoretical Chemistry

Reference19 articles.

1. Clementi E, Corongui G, Detrich JM, Domingo L, Laaksonen A, Nguyen HL, Chin S (1984) Tech Report No POK-40, IBM

2. Colvin ME, Whiteside RA, Schaefer HF III (1989) in: Wilson S (ed) Methods in quantum chemistry Vol 3. Plenum, NY, p 167?237

3. Parallel Computing in Chemical Physics (1991) Org Theoret Chem Group, Argonne Natl Lab, July 17?19, 1991. 700 S Cass Ave, Argonne, IL 60439

4. MIMD parallel computers consist of independent, interconnected CPU's communicating via wires (message-passing) or a common memory bank (shared-memory). Shared memory MIMD computers are easier to program than message-passing computers, but at this time cannot efficiently interconnect large numbers of processors. Conversely, a message-passed architecture can be readily emulated by a shared-memory computer. An alternative to MIMD architectures is single-instruction multiple-data (SIMD) in which all processors work in lock-step, performing identical instructions on different data streams

5. Häser M, Ahlrichs R (1989) J Comput Chem 10(1):104

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