Portable, parallel transformation: Distributed-memory approach

Journal of Computational Chemistry

Volumn 17, Issue 8, 1996, Pages 992-1001

  Covick, Lawrence A ^a,b   Sando, Kenneth M ^a  

^a E11 SSH   (United States)

^b ATHENS STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 5244244763     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199606)17:8<992::AID-JCC8>3.0.CO;2-M     Document Type: Article

References (11)

1. As an introduction to the extensive computer science literature on communication algorithms, we recommend: (a) G. S. Almasi and A. Gottlieb, Highly Parallel Computing, The Benjamin/Cummings Publishing Company Inc., Redwood City, CA, 1989; (b) VLSI and Parallel Computation, R. Suaya and B. Birtwistle, Eds., Morgan Kaufmann Publishers, Inc., San Mateo, CA, 1990.
2. As an introduction to the extensive computer science literature on communication algorithms, we recommend: (a) G. S. Almasi and A. Gottlieb, Highly Parallel Computing, The Benjamin/Cummings Publishing Company Inc., Redwood City, CA, 1989; (b) VLSI and Parallel Computation, R. Suaya and B. Birtwistle, Eds., Morgan Kaufmann Publishers, Inc., San Mateo, CA, 1990.
3. J. Boyle, R. Butler, T. Disz, B. Glickfeld, E. Lusk, R. Overbeek, J. Paterson, and R. Stevens, Portable Programs for Parallel Processors, Holt, Rinehart, and Winston, Inc., New York, 1987; J. Paterson, Argonne National Laboratory, private communication 1988.
4. J. Boyle, R. Butler, T. Disz, B. Glickfeld, E. Lusk, R. Overbeek, J. Paterson, and R. Stevens, Portable Programs for Parallel Processors, Holt, Rinehart, and Winston, Inc., New York, 1987; J. Paterson, Argonne National Laboratory, private communication 1988.
5. L. A. Covick and K. M. Sando, J. Comput. Chem., 11, 1151 (1990).
6. R. A. Whiteside, J. S. Binkley, M. E. Colvin, and H. F. Schaefer, III, J. Chem. Phys., 86, 2185 (1987); M. C. Colvin, Ph.D. thesis, University of California, Berkeley, LBL-23578, DE87 012058, 1986.
7. R. A. Whiteside, J. S. Binkley, M. E. Colvin, and H. F. Schaefer, III, J. Chem. Phys., 86, 2185 (1987); M. C. Colvin, Ph.D. thesis, University of California, Berkeley, LBL-23578, DE87 012058, 1986.
8. C. F. Bunge, A. V. Bunge, G. Cisneros, and J. P. Daudey, Comput. Chem., 12, 91, 109, and 141 (1988). The first of these assumes that all integrals can be held in memory.
9. M. Dupuis and J. D. Watts, J. Comput. Chem., 9, 158 (1988).
10. J. N. Hurley, D. L. Huestis, and W. A. Goddard, III, J. Phys. Chem., 92, 4880 (1988).
11. G. Cisneros, C. F. Bunge, and C. C. J. Roothaan, J. Comput. Chem., 8, 618 (1987).