Storage management strategies in large-scale quantum dynamics calculations
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Abstract
We discuss the computational strategies related to memory and disk storage and to data movement between memory and disk in large-scale quantum dynamics calculations. The discussion includes practical implementations of various strategies for handling large data sets on various supercomputer architectures.
Key words
Quantum mechanical dynamics calculations Supercomputers Storage management Computer memoryPreview
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References
- 1.Schwenke DW, Truhlar DG (1985) In: Numrich RW (ed) Supercomputer applications. Plenum Press, New York, p 295Google Scholar
- 2.Schwenke DW, Truhlar DG (1985) In: Cray Research Inc Science and Engineering Symposium. MinneapolisGoogle Scholar
- 3.Schwenke DW, Truhlar DG (1986) Supercomputer simulations in chemistry. Springer, Berlin Heidelberg New York Tokyo, p 165Google Scholar
- 4.Schwenke DW, Truhlar DG, Coltrin ME (1986) First Symposium on Computational Chemistry on Cray Supercomputers, MinneapolisGoogle Scholar
- 5.Schwenke DW, Truhlar DG (1987) Theor Chim Acta 71:1Google Scholar
- 6.Schwenke DW, Truhlar DG (1987) J Comput Chem, in pressGoogle Scholar
- 7.Schwenke DW, Truhlar DG, Coltrin ME (1987) J Chem Phys, in pressGoogle Scholar
- 8.Schwenke DW, Truhlar DG (1987) Theor Chim Acta, 72:1–12Google Scholar
- 9.Schwenke DW, Truhlar DG, Kouri DJ (1987) J Chem Phys 86:1646Google Scholar
- 10.Haug K, Schwenke DW, Shima Y, Truhlar DG, Zhang JZH, Kouri DJ (1986) J Phys Chem 90:6757Google Scholar
- 11.Zhang JZH, Kouri DJ, Haug K, Schwenke DW, Shima Y, Truhlar DG (1987) J Chem Phys, in pressGoogle Scholar
- 12.Haug K, Schwenke DW, Truhlar DG, Zhang Y, Zhang JZH, Kouri DJ (1987) J Chem Phys, 87:1892Google Scholar
- 13.Zhang JZH, Zhang Y, Kouri DJ, Haug K, Schwenke DW, Truhlar DG (1987) Faraday Discuss Chem Soc, 84, in pressGoogle Scholar
- 14.Rabitz H (1972) J Chem Phys 57:1718Google Scholar
- 15.Zarur G, Rabitz H (1973) J Chem Phys 59:943Google Scholar
- 16.Pack RT (1974) J Chem Phys 60:633Google Scholar
- 17.McGuire P, Kouri DJ (1974) J Chem Phys 60:2488Google Scholar
- 18.Rabitz H (1975) J Chem Phys 63:5208Google Scholar
- 19.Light JC, Walker RB (1976) J Chem Phys 65:4272Google Scholar
- 20.Mullaney NA (1979) PhD thesis. University of Minnesota, MinneapolisGoogle Scholar
- 21.Truhlar DG, Harvey NM, Onda K, Brandt MA (1979) In: Thomas L (ed) Algorithms and computer codes for atomic and molecular scattering theory, vol 1. National Resource for Computation in Chemistry, Lawrence Berkeley Laboratory, Berkeley, p 220Google Scholar
- 22.Bellman R, Kalaba R (1956) Proc Natl Acad Sci 42:629Google Scholar
- 23.Bellman R, Kalaba R, Wing GM (1960) J Math Phys 1:280Google Scholar
- 24.Bellman R, Kalaba R, Wing GM (1960) Proc Natl Acad Sci 46:1646Google Scholar
- 25.Secrest D (1979) In: Bernstein RB (ed) Atom-molecule collision theory. Plenum Press, New York, p 265Google Scholar
- 26.Staszewska G, Truhlar DG (1987) J Chem Phys 86:2793Google Scholar
- 27.Schwenke DW, Haug K, Zhao M, Truhlar DG, Sun Y, Zhang JZH, Kouri DJ, unpublishedGoogle Scholar
- 28.Hamilton IP, Light JC (1986) J Chem Phys 84:306Google Scholar
- 29.Mowrey RC, Kouri DJ (1986) J Chem Phys 84:6466Google Scholar
- 30.Kouri DJ, Mowrey RC (1987) J Chem Phys 86:2087Google Scholar
- 31.Mowrey RC, Bowen HF, Kouri DJ (1987) J Chem Phys 86:2441Google Scholar
- 32.Sun Y, Mowrey RC, Kouri DJ (1987) J Chem Phys, 87:339Google Scholar
- 33.Mowrey RC, Sun Y, Kouri DJ, Truhlar DG: work in progressGoogle Scholar
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