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Volumn 131, Issue 1, 2000, Pages 78-85

Scalable I/O of large-scale molecular dynamics simulations: A data-compression algorithm

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; DATA COMPRESSION; TREES (MATHEMATICS);

EID: 0034276332     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(00)00083-7     Document Type: Article
Times cited : (42)

References (26)
  • 8
    • 85031559432 scopus 로고    scopus 로고
    • Note
    • A 100-million-atom MD simulation on silica material runs at a speed of 35,000 steps per day on 1,024 Cray T3E processors.
  • 9
    • 0031165830 scopus 로고    scopus 로고
    • and the other articles in the same special issue on parallel I/O
    • D.E. Womble, D.S. Greenberg, Parallel Comput. 23 (1997) 403, and the other articles in the same special issue on parallel I/O.
    • (1997) Parallel Comput. , vol.23 , pp. 403
    • Womble, D.E.1    Greenberg, D.S.2
  • 11
  • 18
    • 84986512474 scopus 로고
    • The order of atoms is necessary to preserve in some MD simulations. In macromolecular simulations, for example, the order of atoms often defines the topology of molecules. See B.R. Brooks et al., J. Comput. Chem. 4 (1983) 187; W.D. Cornell et al., J. Amer. Chem. Soc. 117 (1995) 5179.
    • (1983) J. Comput. Chem. , vol.4 , pp. 187
    • Brooks, B.R.1
  • 19
    • 0029011701 scopus 로고
    • The order of atoms is necessary to preserve in some MD simulations. In macromolecular simulations, for example, the order of atoms often defines the topology of molecules. See B.R. Brooks et al., J. Comput. Chem. 4 (1983) 187; W.D. Cornell et al., J. Amer. Chem. Soc. 117 (1995) 5179.
    • (1995) J. Amer. Chem. Soc. , vol.117 , pp. 5179
    • Cornell, W.D.1
  • 21
    • 85031567637 scopus 로고    scopus 로고
    • Note
    • The size of the bin is adjusted to the closest power of 2, so that integer divisions may be replaced by more efficient shift operations.
  • 22
    • 0003364133 scopus 로고    scopus 로고
    • 2nd edn. Prentice-Hall, Upper Saddle River
    • W.R. Stevens, Unix Network Programming, Vol. 1, 2nd edn. (Prentice-Hall, Upper Saddle River, 1998).
    • (1998) Unix Network Programming , vol.1
    • Stevens, W.R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.